VOC_ID	centrotype	cent.factor	peak num	Scan Nr	Ret(min)	Mass(D)	CLF	Hit1	Formula1	MF1	RMF1	Pro1	CAS1	Lib1	ID1	Hit2	Formula2	MF2	RMF2	Pro2	CAS2	Lib2	ID2	Hit3	Formula3	MF3	RMF3	Pro3	CAS3	Lib3	ID3	Pg_288284	Pg_288283	Pg_288282	Pgdsr_d3_882503	Pgdsr_d3_882513	Pgdsr_d3_882585	Pgcd_c5_882533	Pgcd_c5_882553	Pgcd_c5_882563	Pda_288241 	Pda_288242 	Pda_288243 	Pda_288244 	Pg_288284	Pg_288283	Pg_288282	Pgdsr_d3_882503	Pgdsr_d3_882513	Pgdsr_d3_882585	Pgcd_c5_882533	Pgcd_c5_882553	Pgcd_c5_882563	Pda_288241 	Pda_288242 	Pda_288243 	Pda_288244 	BP_mean	dsr_mean	cd_mean	Ratio_Pg_dsr	FDR_dsr	Pg_ratio_stats1.1dsr	Pg_ratio_stats.0.9dsr	Pg_pvalue	sum	Ratio_Pg_cd	FDR_cd	Pg_ratio_stats1.1cd	Pg_ratio_stats.0.9cd	Pg_pvalue	sum	sumtotal	Class_ratio_stats_dsr	Class_ratio_stats_cd
met34	38357	1	21	569	1.939	84.970642	-297	"Hit 1 : 2(3H)-Furanone, 5-butyldihydro- (CAS)"	C8H14O2	 MF: 880	 RMF: 975	 Prob 8.75%	 CAS: 104-50-7	 Lib: w9n11	 ID: 53740.	Hit 2 : VINYLISOTHIOCYANATE	C3H3NS	 MF: 871	 RMF: 983	 Prob 6.35%		 Lib: w9n11	 ID: 4546.	Hit 3 : (E)-3-Methylpent-3-en-2-ol	C6H12O	 MF: 870	 RMF: 999	 Prob 6.11%	 CAS: 2747-52-6	 Lib: w9n11	 ID: 10954.	892646	801021	531724	689622	710530	660187	704571	671636	801095	626269	627150	636624	500	19.76772863	19.61148054	19.02031806	19.39544627	19.43853604	19.3325152	19.42638557	19.35732004	19.61161381	19.25642294	19.25845102	19.28008202	8.965784285	19.46650908	19.38883251	19.46510647	1.004006253	0.110686342	0	0	0	0	1.000072057	0.110686342	0	0	0	0	0	black	black
met35	50110	1	21	614	2.09	158.990005	189	"Hit 1 : 4-tert-Butyl-1,3-oxazolidine-2-thione"	C7H13NOS	 MF: 929	 RMF: 947	 Prob 54.6%		 Lib: w9n11	 ID: 84920.	"Hit 2 : 4-(1,3-dithian-2-ylidene)-2-hydroxy-2,3-dimethylbutanoic acid ethyl ester"	C12H20O3S2	 MF: 850	 RMF: 860	 Prob 6.22%	 CAS: 106520-16-5	 Lib: w9n11	 ID: 397075.	"Hit 3 : 1,3-dithia-2-(((1a,2s)-1-methyl-2-benzyloxy-3,4-(dimethylmethylenedioxy)-butyl)-methylene)-cyclohexane"	C20H28O3S2	 MF: 843	 RMF: 852	 Prob 4.76%		 Lib: w9n11	 ID: 644097.	23291	21545	29033	38434	21077	64277	49947	38265	48609	115741	34905	18460	19084	14.50748496	14.39506548	14.82540603	15.23009551	14.36338191	15.97201498	15.60811041	15.22373778	15.56893583	16.82054049	15.09114609	14.17211493	14.22007597	14.57598549	15.18849747	15.46692801	0.959672642	0.070715784	0	0	1	1	0.942396931	0.070715784	0	0	1	1	2	black	black
met36	31798	1	29	642	2.184	55.054016	-151	"Hit 1 : 2-Butene, 2-methyl- (CAS)"	C5H10	 MF: 897	 RMF: 955	 Prob 17.3%	 CAS: 513-35-9	 Lib: w9n11	 ID: 1770.	"Hit 2 : 2-Butene, 2-methyl- (CAS)"	C5H10	 MF: 893	 RMF: 964	 Prob 17.3%	 CAS: 513-35-9	 Lib: w9n11	 ID: 1766.	"Hit 3 : Cyclopropane, 1,1-dimethyl-"	C5H10	 MF: 886	 RMF: 957	 Prob 11.9%	 CAS: 1630-94-0	 Lib: w9n11	 ID: 1783.	335621	373398	343377	513340	530132	201888	222916	137377	281909	14459	16299	14230	14034	18.35647346	18.51035467	18.38943388	18.96955516	19.0159921	17.62319564	17.76614065	17.06778096	18.10487001	13.81968016	13.99249583	13.79664804	13.77663865	18.41875401	18.53624763	17.64626387	0.993661413	0.066607529	0	0	1	1	1.043776413	0.066607529	0	0	1	1	2	black	black
met37	62313	1	45	674	2.292	59.04884	-206	Hit 1 : 3-(4'-Ethoxy-3'-bromophenyl)pyridine	C13H12BrNO	 MF: 671	 RMF: 671	 Prob 93.5%		 Lib: w9n11	 ID: 400374.	"Hit 2 : 2-Amino-3,5-dibromobenzaldehyde"	C7H5Br2NO	 MF: 504	 RMF: 647	 Prob 2.16%	 CAS: 50910-55-9	 Lib: w9n11	 ID: 399949.	Hit 3 : 3-Hydroxy-3-methyl-2-butanone	C5H10O2	 MF: 487	 RMF: 898	 Prob 1.18%	 CAS: 115-22-0	 Lib: replib	 ID: 7250.	230081	242302	236916	216183	219947	311873	254261	297244	303080	19687	30830	35273	26701	17.81178233	17.88644679	17.85401611	17.72189355	17.7467964	18.25059913	17.95595066	18.18128816	18.20933913	14.26495566	14.91204727	15.10627666	14.70460615	17.85074841	17.90642969	18.11552599	0.996890431	0.307955517	0	0	0	0	0.985383942	0.307955517	0	0	0	0	0	black	black
met38	50111	1	66	677	2.302	158.989212	103	"Hit 1 : 4-tert-Butyl-1,3-oxazolidine-2-thione"	C7H13NOS	 MF: 920	 RMF: 950	 Prob 51.5%		 Lib: w9n11	 ID: 84920.	Hit 2 : [(Trimethylsilyl)oxy]-trifluorosilane	C3H9F3OSi2	 MF: 891	 RMF: 960	 Prob 14.6%		 Lib: w9n11	 ID: 116027.	"Hit 3 : 4-(1,3-dithian-2-ylidene)-2-hydroxy-2,3-dimethylbutanoic acid ethyl ester"	C12H20O3S2	 MF: 884	 RMF: 896	 Prob 11.2%	 CAS: 106520-16-5	 Lib: w9n11	 ID: 397075.	1090000	780895	816638	878628	818466	1110000	675307	960718	807558	1310000	1640000	1460000	1890000	20.0558967	19.57476905	19.63933718	19.74489295	19.64256296	20.08212825	19.36518399	19.87375349	19.62320635	20.32113538	20.64526438	20.47753694	20.8499548	19.75666764	19.82319472	19.62071461	0.996643978	0.07186678	0	0	1	1	1.006929056	0.07186678	0	0	1	1	2	black	black
met39	30030	1	248	694	2.359	65.03804	-744	"Hit 1 : 1,3-Butadiene, 2-methyl- (CAS)"	C5H8	 MF: 731	 RMF: 747	 Prob 38.6%	 CAS: 78-79-5	 Lib: w9n11	 ID: 1440.	"Hit 2 : 1,2-Butadiene, 3-methyl-"	C5H8	 MF: 707	 RMF: 722	 Prob 13.0%	 CAS: 598-25-4	 Lib: w9n11	 ID: 1430.	"Hit 3 : 1,2-Butadiene, 3-methyl-"	C5H8	 MF: 707	 RMF: 722	 Prob 13.0%	 CAS: 598-25-4	 Lib: replib	 ID: 8293.	5020000	5110000	4840000	6730000	6470000	6690000	5030000	5090000	5340000	23013	4199	15673	12655	22.25925593	22.28489186	22.20657562	22.68217507	22.62533428	22.67357478	22.26212697	22.27923423	22.34840831	14.49016145	12.03583007	13.93599373	13.62741989	22.25024114	22.66036138	22.29658984	0.981901425	0.06467017	0	0	1	1	0.997921265	0.06467017	0	0	1	1	2	black	black
met40	47002	1	26	698	2.372	67.053665	-1576	"Hit 1 : 2,3-Diazabicyclo[2.2.1]-hept-2-ene"	C5H8N2	 MF: 676	 RMF: 809	 Prob 12.5%	 CAS: 2721-32-6	 Lib: replib	 ID: 7949.	"Hit 2 : 2,3-Diazabicyclo[2.2.1]-hept-2-ene"	C5H8N2	 MF: 676	 RMF: 809	 Prob 12.5%	 CAS: 2721-32-6	 Lib: w9n11	 ID: 8086.	"Hit 3 : syn-2-Oxatricyclo[4.1.0.0(3,5)] heptane"	C6H8O	 MF: 673	 RMF: 784	 Prob 11.0%		 Lib: w9n11	 ID: 8247.	6730000	6260000	6370000	6710000	5920000	5340000	6480000	6380000	6000000	26901	25516	27200	26470	22.68217507	22.57773123	22.60286194	22.67788134	22.49716575	22.34840831	22.62756238	22.60512499	22.51653107	14.71537218	14.63911456	14.73131903	14.69207057	22.62092275	22.50781846	22.58307282	1.005025111	0.064824347	0	0	1	1	1.001676031	0.064824347	0	0	1	1	2	black	black
met41	140	1	15	703	2.389	53.035267	-496	"Hit 1 : 11,11-Dichloro[4.4.1]propellane"	C11H16Cl2	 MF: 755	 RMF: 785	 Prob 38.8%	 CAS: 55794-24-6	 Lib: w9n11	 ID: 230139.	"Hit 2 : 2,6-Di-t-butyl-4-hydroxy-4-methyl-1-imino-2,5-cyclohexadiene"	C15H25NO	 MF: 747	 RMF: 778	 Prob 28.9%		 Lib: w9n11	 ID: 280741.	"Hit 3 : 1,3-Diformyl-2-chloronaphthalene"	C12H7ClO2	 MF: 706	 RMF: 735	 Prob 6.60%		 Lib: w9n11	 ID: 230307.	500	500	500	500	500	500	500	500	500	11309	11021	9834	11671	8.965784285	8.965784285	8.965784285	8.965784285	8.965784285	8.965784285	8.965784285	8.965784285	8.965784285	13.46518374	13.42796751	13.26356264	13.51064056	8.965784285	8.965784285	8.965784285	1	0.066579461	0	0	1	1	1	0.066579461	0	0	1	1	2	black	black
met42	38385	1	25	708	2.406	59.048988	-539	"Hit 1 : Ethane, 1,1,2-trichloro-1,2,2-trifluoro- (CAS)"	C2Cl3F3	 MF: 704	 RMF: 878	 Prob 78.4%	 CAS: 76-13-1	 Lib: w9n11	 ID: 144204.	"Hit 2 : TRICHLOROTRIFLUOROETHANE, 1,1,2-"	C2Cl3F3	 MF: 654	 RMF: 791	 Prob 15.9%		 Lib: w9n11	 ID: 144206.	"Hit 3 : Ethane, 1,1,2-trichloro-1,2,2-trifluoro- (CAS)"	C2Cl3F3	 MF: 640	 RMF: 644	 Prob 78.4%	 CAS: 76-13-1	 Lib: w9n11	 ID: 144196.	359793	350607	263487	297502	341764	325443	269409	274365	264446	216414	278816	228289	177093	18.45680759	18.41949527	18.00737226	18.18253984	18.38264091	18.31204536	18.03943852	18.06573693	18.01261363	17.72343431	18.08895383	17.80050182	17.43414766	18.29455838	18.2924087	18.03926303	1.000117517	0.10403119	0	0	0	0	1.014152205	0.10403119	0	0	0	0	0	black	black
met43	30029	1	29	725	2.463	78.999977	-474	"Hit 1 : 1-PHENYLETHYLBROMO-?,?-13C2"	C8H9Br	 MF: 788	 RMF: 803	 Prob 19.5%		 Lib: w9n11	 ID: 139809.	Hit 2 : Exomethylenecyclopent-2-yl(phenyl) sulfone	C12H14O2S	 MF: 780	 RMF: 796	 Prob 14.6%		 Lib: w9n11	 ID: 242197.	"Hit 3 : 3,3'-bicyclohexenyl"	C12H18	 MF: 779	 RMF: 797	 Prob 14.0%	 CAS: 41585-33-5	 Lib: w9n11	 ID: 91660.	8190000	8150000	500	7340000	7710000	7680000	500	7750000	7570000	7030000	7870000	7080000	7610000	22.96543202	22.95836863	8.965784285	22.80734863	22.87829943	22.87267488	8.965784285	22.88576488	22.85186187	22.74509326	22.90793221	22.75531793	22.85946502	18.29652831	22.85277431	18.23447034	0.800626132	0.483911494	0	1	0	1	1.003403333	0.483911494	0	0	0	0	1	black	black
met44	63615	1	68	766	2.6	75.025337	-628	Hit 1 : tert-Butyldimethylsilanol	C6H16OSi	 MF: 704	 RMF: 881	 Prob 41.8%	 CAS: 18173-64-3	 Lib: w9n11	 ID: 39075.	"Hit 2 : SILANOL, TERT-BUTYLDIMETHYLC6H16OSi?"	MF: 704	 RMF: 881	 Prob 41.8%	 CAS: 18173-64-3		 Lib: w9n11	 ID: 39076.	Hit 3 : tert-Butyldimethylsilanol	C6H16OSi	 MF: 704	 RMF: 881	 Prob 41.8%	 CAS: 18173-64-3	 Lib: mainlib	 ID: 45429.	7980000	8140000	7910000	7410000	7670000	7680000	7830000	7730000	7800000	7980000	7530000	7710000	7480000	22.92795732	22.95659736	22.91524626	22.82104211	22.87079515	22.87267488	22.90058088	22.88203698	22.89504269	22.92795732	22.84421843	22.87829943	22.83460684	22.93326698	22.85483738	22.89255352	1.003431641	0.096796728	0	0	1	1	1.001778459	0.096796728	0	0	1	1	2	black	black
met45	37884	1	22	776	2.634	95.952339	-122	"Hit 1 : Ethene, 1,1-dichloro- (CAS)"	C2H2Cl2	 MF: 842	 RMF: 932	 Prob 50.3%	 CAS: 75-35-4	 Lib: w9n11	 ID: 7907.	"Hit 2 : Ethylene, 1,2-dichloro-, (Z)-"	C2H2Cl2	 MF: 819	 RMF: 880	 Prob 18.4%	 CAS: 156-59-2	 Lib: w9n11	 ID: 7909.	"Hit 3 : Ethylene, 1,2-dichloro-, (Z)-"	C2H2Cl2	 MF: 819	 RMF: 880	 Prob 18.4%	 CAS: 156-59-2	 Lib: replib	 ID: 7679.	69492	60795	64949	77955	66736	46146	34440	40961	71892	143846	163676	118587	81875	16.08455928	15.89166506	15.98701969	16.25035394	16.0261776	15.49391798	15.07179752	15.32196332	16.13354362	17.13416558	17.32048327	16.85558634	16.32113538	15.98774801	15.92348317	15.50910149	1.004035853	0.06467017	0	0	1	1	1.030862299	0.06467017	0	0	1	1	2	black	black
met46	49814	1	49	822	2.788	155.014603	113	"Hit 1 : 1-(Naphthalen-2-yl)-2,2-diphenylethanone"	C24H18O	 MF: 938	 RMF: 975	 Prob 42.5%	 CAS: 113487-88-0	 Lib: w9n11	 ID: 524095.	"Hit 2 : 3,4-Benzo-2-sulfoxybicyclo[3.1.0]hex-3-ene"	C9H8O2S	 MF: 921	 RMF: 922	 Prob 23.2%		 Lib: w9n11	 ID: 129924.	"Hit 3 : 3-Ethoxycarbonyl-6-[(S)-1-(2-naphthyl)ethoxy]-3-phenyl-5,6-dihydro-4H-1,2-oxazine"	C19H21NO4	 MF: 889	 RMF: 924	 Prob 6.19%		 Lib: w9n11	 ID: 535118.	4050000	4080000	2990000	2360000	3270000	2370000	2480000	2320000	2850000	3630000	3350000	2330000	3760000	21.94949048	21.96013772	21.51171405	21.17035543	21.64085921	21.17645563	21.24190869	21.14569337	21.44253049	21.79153812	21.67572966	21.15189852	21.84230123	21.80711408	21.32922342	21.27671085	1.022405441	0.06467017	0	0	1	1	1.024928817	0.06467017	0	0	1	1	2	black	black
met47	62314	1	30	850	2.882	59.048889	-299	Hit 1 : 3-(4'-Ethoxy-3'-bromophenyl)pyridine	C13H12BrNO	 MF: 764	 RMF: 764	 Prob 46.7%		 Lib: w9n11	 ID: 400374.	Hit 2 : 2-methyl-1-hepten-6-ol	C8H16O	 MF: 699	 RMF: 907	 Prob 7.51%	 CAS: 32779-60-5	 Lib: w9n11	 ID: 34556.	Hit 3 : Acetamide	C2H5NO	 MF: 682	 RMF: 938	 Prob 4.10%	 CAS: 60-35-5	 Lib: w9n11	 ID: 811.	298028	294604	274099	324078	382390	348144	646913	611156	727598	500	500	500	500	18.18508835	18.16841749	18.06433754	18.30598156	18.54468527	18.40932463	19.30321218	19.22118116	19.47278205	8.965784285	8.965784285	8.965784285	8.965784285	18.13928113	18.41999716	19.3323918	0.984760257	0.06467017	0	0	1	1	0.938284374	0.06467017	0	0	1	1	2	black	black
met48	28340	1	28	854	2.896	82.040703	177	"Hit 1 : Furan, 2-methyl- (CAS)"	C5H6O	 MF: 925	 RMF: 948	 Prob 47.3%	 CAS: 534-22-5	 Lib: w9n11	 ID: 3570.	"Hit 2 : Furan, 3-methyl-"	C5H6O	 MF: 918	 RMF: 922	 Prob 36.2%	 CAS: 930-27-8	 Lib: w9n11	 ID: 3571.	"Hit 3 : Furan, 3-methyl-"	C5H6O	 MF: 918	 RMF: 922	 Prob 36.2%	 CAS: 930-27-8	 Lib: mainlib	 ID: 51132.	1650000	1660000	1600000	1850000	1900000	1970000	3120000	2670000	2770000	2320000	2190000	2460000	2410000	20.65403459	20.66275181	20.60964047	20.81909384	20.85756799	20.9097642	21.5731146	21.34840831	21.40145455	21.14569337	21.06249944	21.23022688	21.20060172	20.64214229	20.86214201	21.44099249	0.989454596	0.06467017	0	0	1	1	0.962741921	0.06467017	0	0	1	1	2	black	black
met49	30189	1	41	880	2.983	82.041313	-781	"Hit 1 : 2,2-DIMETHYL-4(2-METHYLPROPENYL)-CYCLOBUTANE-1-METHYLESTER"	C12H20O2	 MF: 643	 RMF: 675	 Prob 54.4%	 CAS: 70871-11-3	 Lib: w9n11	 ID: 171778.	Hit 2 : dibromoagelaspongin hydrochloride	C11H11Br2N5O2	 MF: 595	 RMF: 619	 Prob 11.3%	 CAS: 122893-38-3	 Lib: w9n11	 ID: 680360.	Hit 3 : Hydrogen bromide	BrH	 MF: 593	 RMF: 615	 Prob 10.4%	 CAS: 10035-10-6	 Lib: w9n11	 ID: 3243.	432582	380955	306357	339608	317959	289703	535008	321552	396886	116690	98420	104647	111939	18.72261411	18.53926107	18.22485429	18.37351092	18.27848122	18.1442151	19.02920094	18.29469254	18.59836515	16.83232141	16.5866639	16.67517143	16.77235324	18.49557649	18.26540241	18.64075287	1.012601643	0.488195689	0	0	0	0	0.992211882	0.488195689	0	0	0	0	0	black	black
met50	62136	1	31	918	3.11	82.944313	113	Hit 1 : dichloromethyl propyl sulfone	C4H8Cl2O2S	 MF: 938	 RMF: 982	 Prob 53.5%		 Lib: w9n11	 ID: 153561.	Hit 2 : dichloromethyl ethyl sulfone	C3H6Cl2O2S	 MF: 910	 RMF: 939	 Prob 15.5%		 Lib: w9n11	 ID: 120070.	"Hit 3 : 1-Chloro-1,1,2-trifluoro-ethane"	C2H2ClF3	 MF: 879	 RMF: 925	 Prob 4.21%	 CAS: 421-04-5	 Lib: w9n11	 ID: 23568.	2400000	2670000	3590000	5620000	4380000	4830000	3680000	4370000	5960000	7820000	7770000	8050000	7120000	21.19460298	21.34840831	21.77555241	22.4221387	22.06249944	22.20359176	21.81127434	22.05920185	22.5068809	22.89873718	22.88948317	22.94055735	22.76344581	21.43952123	22.22940997	22.12578569	0.9644665	0.06467017	0	0	1	1	0.968983499	0.06467017	0	0	1	1	2	black	black
met51	29158	1	40	925	3.134	56.06197	-1032	"Hit 1 : 1-Propanol, 2-methyl- (CAS)"	C4H10O	 MF: 687	 RMF: 784	 Prob 23.7%	 CAS: 78-83-1	 Lib: w9n11	 ID: 2663.	"Hit 2 : Formic acid, butyl ester (CAS)"	C5H10O2	 MF: 679	 RMF: 797	 Prob 17.7%	 CAS: 592-84-7	 Lib: w9n11	 ID: 12142.	"Hit 3 : (trans)-3,4-Oxa-2,5-dimethylhexane"	C8H14O2	 MF: 663	 RMF: 867	 Prob 10.2%		 Lib: w9n11	 ID: 53864.	74483	84949	101685	113832	81552	82630	199180	141855	342091	19082	18725	18299	19001	16.18462356	16.37430934	16.63374735	16.79654665	16.31543264	16.33437805	17.60371327	17.11405748	18.38402062	14.21992477	14.1926781	14.15947719	14.21378773	16.39756009	16.48211911	17.70059712	0.994869651	0.094964617	0	0	1	1	0.926384572	0.094964617	0	0	1	1	2	black	black
met52	48573	1	33	960	3.251	151.040482	109	Hit 1 : 1-Bromo-3-hydroxyadamantane	C10H15BrO	 MF: 929	 RMF: 982	 Prob 48.3%		 Lib: w9n11	 ID: 265101.	Hit 2 : 1-Methyl-3-aldoximido-2(1H)-pyridinethione	C7H8N2OS	 MF: 912	 RMF: 915	 Prob 26.4%	 CAS: 91540-43-1	 Lib: w9n11	 ID: 102579.	"Hit 3 : Mixture of 5-Deutero- and r-4-Deutero-c-8a-methyl-1,2,3,4,6,7,8,8a-octahydronaphthalene"	C11H17D	 MF: 877	 RMF: 928	 Prob 6.61%	 CAS: 62244-72-8	 Lib: w9n11	 ID: 67837.	428518	510708	325015	279191	294131	333160	249861	256950	285611	565053	398441	345116	393350	18.70899628	18.96213913	18.31014678	18.09089291	18.16609932	18.34585567	17.93076621	17.97112813	18.12369202	19.10802667	18.60400658	18.39672183	18.58545406	18.6604274	18.2009493	18.00852878	1.025244732	0.06467017	0	0	1	1	1.036199438	0.06467017	0	0	1	1	2	black	black
met53	33816	1	17	987	3.342	79.052734	199	"Hit 1 : 3-Thiabicyclo[3.2.0]hept-6-ene 3,3-dioxide"	C6H8O2S	 MF: 896	 RMF: 936	 Prob 75.2%		 Lib: w9n11	 ID: 56126.	Hit 2 : Bicyclo[2.2.0]hex-1(4)-ene (CAS)	C6H8	 MF: 803	 RMF: 953	 Prob 6.22%	 CAS: 30830-20-7	 Lib: w9n11	 ID: 3376.	Hit 3 : 3-exo-Chloro-6-endo-nitrobicyclo[2.2.1]heptan-2-one	C7H8ClNO3	 MF: 790	 RMF: 825	 Prob 4.02%		 Lib: w9n11	 ID: 152063.	31118	31238	32030	20874	25189	21429	33217	24213	24379	19133	21329	29310	23330	14.92546172	14.93101447	14.96713618	14.34941946	14.62050623	14.38727691	15.01963416	14.56349422	14.57335133	14.22377548	14.38052871	14.83910535	14.50989869	14.94120412	14.45240087	14.71882657	1.033821595	0.143274762	0	0	0	0	1.015108375	0.143274762	0	0	0	0	0	black	black
met54	28127	1	60	1035	3.503	71.048637	-591	"Hit 1 : (2,3-Dimethyloxiranyl)methanol"	C5H10O2	 MF: 777	 RMF: 805	 Prob 15.6%		 Lib: w9n11	 ID: 12306.	"Hit 2 : 2-hydroxymethyl-2,3-dimethyl-oxirane"	C5H10O2	 MF: 777	 RMF: 805	 Prob 15.6%	 CAS: 124578-97-8	 Lib: w9n11	 ID: 12307.	"Hit 3 : (2,3-Dimethyloxiranyl)methanol"	C5H10O2	 MF: 777	 RMF: 805	 Prob 15.6%		 Lib: mainlib	 ID: 8046.	6900000	7320000	6920000	4030000	4230000	4450000	7470000	7020000	6640000	8280000	8230000	8270000	8340000	22.71816493	22.80341222	22.72234061	21.94234841	22.01222623	22.08537391	22.83267681	22.7430396	22.66275181	22.98119934	22.972461	22.9794559	22.99161595	22.74797259	22.01331618	22.74615607	1.033373273	0.06467017	0	0	1	1	1.00007986	0.06467017	0	0	1	1	2	black	black
met55	59003	1	42	1054	3.567	78.045654	284	Hit 1 : Benzene (CAS)	C6H6	 MF: 914	 RMF: 966	 Prob 70.5%	 CAS: 71-43-2	 Lib: w9n11	 ID: 3177.	"Hit 2 : 5-Amino-2-phenyl-4-[4'-(N,N-dimethylamino)phenyl]-7-(pyrrolidin-1'-yl)-1,6-naphthyridine-8-carbonitrile"	C27H26N6	 MF: 872	 RMF: 955	 Prob 15.8%		 Lib: w9n11	 ID: 719653.	"Hit 3 : 1,2,3,4,5-Pentaphenylheptatriene"	C37H30	 MF: 852	 RMF: 898	 Prob 7.20%	 CAS: 70456-57-4	 Lib: w9n11	 ID: 754134.	2100000	1920000	2010000	1560000	1610000	1540000	1910000	1850000	1880000	1200000	1680000	1780000	1910000	21.0019579	20.87267488	20.93876407	20.5731146	20.61862926	20.55449892	20.86514121	20.81909384	20.84230123	20.19460298	20.6800298	20.76344581	20.86514121	20.93779895	20.58208093	20.84217876	1.017282899	0.068123409	0	0	1	1	1.004587821	0.068123409	0	0	1	1	2	black	black
met56	61412	1	29	1057	3.577	56.06123	-258	"Hit 1 : n-Butyl 2,2-Dicyanopropionate"	C9H12N2O2	 MF: 854	 RMF: 999	 Prob 17.5%		 Lib: w9n11	 ID: 130164.	"Hit 2 : Methyl 3-O-Benzyloxymethyl-4,6-O-benzylidene?,D-alt-hexopyranoside"	C22H26O7	 MF: 854	 RMF: 999	 Prob 17.5%		 Lib: w9n11	 ID: 679271.	"Hit 3 : 6,6-Dimethyl-1-ethynyl-7-oxabicyclo[4.1.0]heptan-2-one"	C10H12O2	 MF: 842	 RMF: 985	 Prob 11.7%		 Lib: w9n11	 ID: 94671.	2450000	2410000	2160000	2510000	2510000	2470000	4530000	4020000	4980000	1350000	1090000	1240000	1630000	21.22435032	21.20060172	21.04259988	21.25925593	21.25925593	21.23607961	22.11107962	21.93876407	22.24771431	20.36452798	20.0558967	20.24190869	20.63644053	21.15585064	21.25153049	22.099186	0.995497743	0.06467017	0	0	1	1	0.95731357	0.06467017	0	0	1	1	2	black	black
met57	30724	1	50	1074	3.634	57.068748	-520	"Hit 1 : (-)-(3S,4R,5R)-3-azido-4-hydroxy-5-methyldihydro-2-(3H)-furanone"	C5H7N3O3	 MF: 790	 RMF: 819	 Prob 19.0%	 CAS: 129453-43-6	 Lib: w9n11	 ID: 81294.	Hit 2 : AZETIDINE-D1	C3H6DN	 MF: 786	 RMF: 860	 Prob 16.1%	 CAS: 24847-27-6	 Lib: w9n11	 ID: 657.	Hit 3 : 2-Undecanone (CAS)	C11H22O	 MF: 779	 RMF: 857	 Prob 12.3%	 CAS: 112-12-9	 Lib: w9n11	 ID: 110061.	5400000	6070000	5680000	2910000	3030000	3100000	6440000	5620000	5130000	8100000	7780000	7980000	6230000	22.36452798	22.53326509	22.4374595	21.47258772	21.53088636	21.56383678	22.61862926	22.4221387	22.2905274	22.94949048	22.89133872	22.92795732	22.57080073	22.44508419	21.52243696	22.44376512	1.042869087	0.066002196	0	0	1	1	1.000058772	0.066002196	0	0	1	1	2	black	black
met58	30451	1	31	1090	3.687	84.002487	-109	Hit 1 : (Z)-2-Pentenal	C5H8O	 MF: 816	 RMF: 821	 Prob 83.9%	 CAS: 1576-86-9	 Lib: w9n11	 ID: 4102.	Hit 2 : 4(S)-hydroxy-2-cyclohexen-1-one	C6H8O2	 MF: 700	 RMF: 704	 Prob 4.90%	 CAS: 121652-00-4	 Lib: w9n11	 ID: 17633.	Hit 3 : (-)-(S)-4-Hydroxycyclohexenone	C6H8O2	 MF: 689	 RMF: 693	 Prob 3.36%		 Lib: w9n11	 ID: 17721.	310561	291050	328992	349736	275230	355349	668244	469808	460545	239394	177078	227482	210007	18.24451714	18.15090749	18.32769298	18.41590678	18.07027821	18.43887711	19.35001545	18.84171175	18.8129826	17.86902747	17.43402546	17.79539287	17.68007789	18.2410392	18.30835403	19.00156994	0.996323272	0.066607529	0	0	1	1	0.959975374	0.066607529	0	0	1	1	2	black	black
met59	47856	1	15	1113	3.765	147.065399	167	"Hit 1 : 3-Cyclohexen-1-amine, N,N-dimethyl-2,5,6-triphenyl-, (1?,2?,5?,6?)- (CAS)"	C26H27N	 MF: 912	 RMF: 975	 Prob 31.6%	 CAS: 42715-10-6	 Lib: w9n11	 ID: 593997.	"Hit 2 : Bis(2,2-Dimethyl-1-phenylpropyl)diazene"	C22H30N2	 MF: 909	 RMF: 973	 Prob 27.9%	 CAS: 55043-60-2	 Lib: w9n11	 ID: 523996.	"Hit 3 : 3-Cyclohexen-1-amine, N,N-dimethyl-2,5,6-triphenyl-, (1?,2?,5?,6?)- (CAS)"	C26H27N	 MF: 895	 RMF: 957	 Prob 17.5%	 CAS: 42715-09-3	 Lib: w9n11	 ID: 593996.	24802	30643	18834	21937	23095	25682	22732	19846	23494	82245	9077	32893	24670	14.59816884	14.90326993	14.20105181	14.42107862	14.49529293	14.64846994	14.472437	14.27656064	14.52000474	16.32764035	13.14799984	15.00549297	14.5904701	14.56749686	14.52161383	14.42300079	1.003159637	0.065556031	0	0	1	1	1.010018447	0.065556031	0	0	1	1	2	black	black
met60	35993	1	19	1134	3.835	86.03595	-151	"Hit 1 : 2,3-Butanedione (CAS)"	C4H6O2	 MF: 944	 RMF: 999	 Prob 4.19%	 CAS: 431-03-8	 Lib: w9n11	 ID: 4855.	"Hit 2 : 1,3-Dioxol-2-one"	C3H2O3	 MF: 942	 RMF: 992	 Prob 3.86%	 CAS: 872-36-6	 Lib: replib	 ID: 12386.	"Hit 3 : 1,3-Dioxol-2-one"	C3H2O3	 MF: 942	 RMF: 992	 Prob 3.86%	 CAS: 872-36-6	 Lib: w9n11	 ID: 4718.	188793	166061	196177	128923	121916	121512	129527	131911	122297	162782	132465	131347	152512	17.52644575	17.34135377	17.58179638	16.97615014	16.89552795	16.89073927	16.98289333	17.00920535	16.90002949	17.31258165	17.01525169	17.00302372	17.21856324	17.48319863	16.92080579	16.96404272	1.033236765	0.06467017	0	0	1	1	1.030603313	0.06467017	0	0	1	1	2	black	black
met61	49906	1	48	1147	3.879	73.028503	-1502	Hit 1 : Diethyl 1-fluoroethylphosphonate	C6H14FO3P	 MF: 549	 RMF: 629	 Prob 35.8%		 Lib: w9n11	 ID: 139493.	"Hit 2 : (E)-1,2-bis[trimethylsilyl]ethylene"	C8H20Si2	 MF: 525	 RMF: 778	 Prob 12.0%	 CAS: 18178-59-1	 Lib: w9n11	 ID: 112847.	Hit 3 : 1-(1'-TRIMETHYLSILYLOXYCYCLOPENTYL)-1-TRIMETHYLSILYLOXYCYCLOPENTANE	C16H34O2Si2	 MF: 522	 RMF: 755	 Prob 10.6%	 CAS: 73429-76-2	 Lib: w9n11	 ID: 501977.	298615	235090	204728	143473	189624	154946	172363	176625	153997	143431	165472	152505	168682	18.18792711	17.84285365	17.6433489	17.13041974	17.53278205	17.24140599	17.39509059	17.43033003	17.23254272	17.12999734	17.33622759	17.21849702	17.36394651	17.89137655	17.30153592	17.35265445	1.034091807	0.066894347	0	0	1	1	1.031045516	0.066894347	0	0	1	1	2	black	black
met62	36164	1	34	1159	3.919	87.044807	-1103	"Hit 1 : 3,6,9-TRIMETHYL-3,6,9-TRIISOPROPYL-1,2,4,5,7,8-HEXAOXACYCLONONANE"	C15H30O6	 MF: 657	 RMF: 983	 Prob 34.1%	 CAS: 33371-92-5	 Lib: w9n11	 ID: 480552.	Hit 2 : DI-ISO-PROPYLAMINE-D1	C6H14DN	 MF: 643	 RMF: 779	 Prob 21.4%	 CAS: 25837-82-5	 Lib: w9n11	 ID: 11739.	"Hit 3 : Hexane, 1,2,3-trimethoxy- (CAS)"	C9H20O3	 MF: 621	 RMF: 679	 Prob 8.44%	 CAS: 20637-29-0	 Lib: w9n11	 ID: 121191.	108188	68068	30666	52104	60070	14079	67053	16960	68479	500	500	500	500	16.72318096	16.0546891	14.90435238	15.66910651	15.87435704	13.78125725	16.03301426	14.04984855	16.06337401	8.965784285	8.965784285	8.965784285	8.965784285	15.89407415	15.10824027	15.38207894	1.052013594	0.066607529	0	0	1	1	1.033285176	0.066607529	0	0	1	1	2	black	black
met63	55269	1	79	1185	4.006	214.98172	244	"Hit 1 : 1-Hydroxy-3-(ethoxycarbonyl)-2,2,5,5-tetramethylpyrrolidine Hydrochloride"	C11H22ClNO3	 MF: 941	 RMF: 998	 Prob 45.7%		 Lib: w9n11	 ID: 326015.	Hit 2 : Methyl 2-exo-Amino-6-endo-(methylthio)bicyclo[2.2.1]-heptane-2-endo-carboxylate	C10H17NO2S	 MF: 932	 RMF: 934	 Prob 33.2%	 CAS: 127572-42-3	 Lib: w9n11	 ID: 222477.	"Hit 3 : 3,4,4-Trimethyl-4H-thieno[3,2-c][1]benzopyran"	C14H14OS	 MF: 852	 RMF: 852	 Prob 3.65%		 Lib: w9n11	 ID: 266809.	4230000	4160000	5050000	2800000	3100000	3460000	6340000	4550000	4080000	4170000	3310000	2590000	2710000	22.01222623	21.9881521	22.26785196	21.4169954	21.56383678	21.72234061	22.59605141	22.11743511	21.96013772	21.99161595	21.65839979	21.30452067	21.36986142	22.0894101	21.56772426	22.22454142	1.024188265	0.070715784	0	0	1	1	0.993919725	0.070715784	0	0	1	1	2	black	black
met64	2492	1	25	1228	4.15	58.040985	-168	"Hit 1 : Ethyl (2S,4S)-1-tert-Butoxycarbonyl-4-(dimethylaminomethyl)pyroglutamate"	C15H26N2O5	 MF: 881	 RMF: 964	 Prob 29.6%		 Lib: w9n11	 ID: 501618.	"Hit 2 : Ethyl 1-(tert-Butoxycarbonyl)-4,4-bis(dimethylamino)pyroglutamate"	C18H33N3O5	 MF: 876	 RMF: 958	 Prob 23.9%		 Lib: w9n11	 ID: 628514.	Hit 3 : Propanal (CAS)	C3H6O	 MF: 862	 RMF: 949	 Prob 15.0%	 CAS: 123-38-6	 Lib: w9n11	 ID: 672.	187457	182736	171070	124680	141488	133989	168110	157780	144201	169889	177040	180591	217452	17.51620017	17.47940136	17.38422726	16.92787053	17.11032017	17.03175504	17.35904602	17.26755482	17.13772164	17.37423292	17.43371583	17.46236647	17.73033745	17.45994293	17.02331525	17.25477416	1.025648804	0.06467017	0	0	1	1	1.011890551	0.06467017	0	0	1	1	2	black	black
met65	30025	1	68	1236	4.177	90.01255	-315	"Hit 1 : Ethanethioic acid, S-methyl ester (CAS)"	C3H6OS	 MF: 818	 RMF: 890	 Prob 23.7%	 CAS: 1534-08-3	 Lib: w9n11	 ID: 6640.	"Hit 2 : Ethanethioic acid, S-methyl ester (CAS)"	C3H6OS	 MF: 807	 RMF: 894	 Prob 23.7%	 CAS: 1534-08-3	 Lib: w9n11	 ID: 6642.	Hit 3 : Methyl 2-Hydroxy-2-cyclohexylacetate	C9H16O3	 MF: 803	 RMF: 980	 Prob 14.4%		 Lib: w9n11	 ID: 113102.	1660000	1560000	1410000	1970000	1800000	1220000	3300000	1660000	3860000	500	500	500	500	20.66275181	20.5731146	20.42726373	20.9097642	20.77956548	20.21844972	21.65403459	20.66275181	21.88016942	8.965784285	8.965784285	8.965784285	8.965784285	20.55437671	20.63592646	21.39898527	0.996048166	0.066607529	0	0	1	1	0.960530439	0.066607529	0	0	1	1	2	black	black
met66	5750	1	13	1265	4.275	173.848633	473	"Hit 1 : Methane, dibromo- (CAS)"	CH2Br2	 MF: 904	 RMF: 914	 Prob 97.7%	 CAS: 74-95-3	 Lib: w9n11	 ID: 111821.	"Hit 2 : Methane, dibromo-"	CH2Br2	 MF: 785	 RMF: 866	 Prob 97.7%	 CAS: 74-95-3	 Lib: w9n11	 ID: 111820.	"Hit 3 : Methane, dibromo-"	CH2Br2	 MF: 784	 RMF: 866	 Prob 97.7%	 CAS: 74-95-3	 Lib: replib	 ID: 26382.	9341	10411	13096	10680	9665	10577	12189	11486	12093	12950	10436	12257	13491	13.18936129	13.34582103	13.67683861	13.38262403	13.23855402	13.36864287	13.57329215	13.48758885	13.56188457	13.66066448	13.34928123	13.58131829	13.71970967	13.40400698	13.3299403	13.54092185	1.005556414	0.070715784	0	0	1	1	0.989888807	0.070715784	0	0	1	1	2	black	black
met67	28443	1	42	1268	4.285	96.056526	133	"Hit 1 : Furan, 2,5-dimethyl-"	C6H8O	 MF: 927	 RMF: 932	 Prob 58.1%	 CAS: 625-86-5	 Lib: replib	 ID: 14694.	"Hit 2 : Furan, 2,5-dimethyl-"	C6H8O	 MF: 927	 RMF: 932	 Prob 58.1%	 CAS: 625-86-5	 Lib: w9n11	 ID: 8172.	"Hit 3 : Furan, 2,5-dimethyl-"	C6H8O	 MF: 922	 RMF: 927	 Prob 58.1%	 CAS: 625-86-5	 Lib: mainlib	 ID: 69381.	98155	89831	82705	106150	115303	99210	161609	129995	183852	64537	59926	65749	70274	16.58277414	16.45492577	16.33568693	16.69574485	16.81507052	16.59819793	17.30214802	16.98809661	17.48818535	15.9778389	15.87089446	16.00468133	16.1007034	16.45779561	16.70300443	17.25947666	0.985319478	0.06467017	0	0	1	1	0.953551254	0.06467017	0	0	1	1	2	black	black
met68	36215	1	20	1287	4.348	88.051567	-118	Hit 1 : (R)-[1-deuterium]cadaverine dihydrochloride	C5H13DN2	 MF: 882	 RMF: 921	 Prob 40.2%	 CAS: 95260-38-1	 Lib: w9n11	 ID: 12498.	Hit 2 : (S)-[1-deuterium]cadaverine dihydrochloride	C5H13DN2	 MF: 882	 RMF: 921	 Prob 40.2%	 CAS: 95260-39-2	 Lib: w9n11	 ID: 12499.	"Hit 3 : 1,4-Dioxane (CAS)"	C4H8O2	 MF: 838	 RMF: 868	 Prob 8.72%	 CAS: 123-91-1	 Lib: w9n11	 ID: 6012.	194412	170171	186169	116404	124925	133095	145396	133707	121605	117379	115974	107171	128947	17.56875775	17.37662567	17.50625334	16.82878111	16.93070269	17.02209685	17.14962805	17.02871547	16.89184302	16.8408148	16.82344188	16.70955505	16.97641868	17.48387892	16.92719355	17.02339552	1.032887045	0.06467017	0	0	1	1	1.027050033	0.06467017	0	0	1	1	2	black	black
met69	32216	1	27	1299	4.389	72.997726	177	"Hit 1 : Thiocyanic acid, methyl ester (CAS)"	C2H3NS	 MF: 924	 RMF: 927	 Prob 33.7%	 CAS: 556-64-9	 Lib: w9n11	 ID: 2230.	"Hit 2 : Thiocyanic acid, methyl ester"	C2H3NS	 MF: 920	 RMF: 922	 Prob 33.7%	 CAS: 556-64-9	 Lib: w9n11	 ID: 2231.	"Hit 3 : Thiocyanic acid, methyl ester"	C2H3NS	 MF: 920	 RMF: 922	 Prob 33.7%	 CAS: 556-64-9	 Lib: replib	 ID: 9667.	1370000	1940000	1170000	1160000	1110000	2750000	4230000	2030000	1380000	60435	137290	71298	146596	20.38574446	20.88762522	20.1580771	20.14569337	20.08212825	21.39100019	22.01222623	20.9530483	20.39623684	15.88309669	17.06686702	16.12157399	17.16148621	20.47714893	20.53960727	21.12050379	0.996959127	0.093904261	0	0	1	1	0.969538849	0.093904261	0	0	1	1	2	black	black
met70	63863	1	15	1319	4.456	269.907257	-190	Hit 1 : 8-Chloro-apocodeine	C18H18ClNO2	 MF: 865	 RMF: 865	 Prob 42.9%		 Lib: w9n11	 ID: 505351.	"Hit 2 : N-t-Butyl-2-(3'-(4""-chlorophenyl)-4',6'-dimethoxyindol-7'-yl)glyoxylamide"	C22H23ClN2O4	 MF: 833	 RMF: 833	 Prob 11.5%		 Lib: w9n11	 ID: 695330.	"Hit 3 : 7-Bromo-8-hydroxy-decahydro-2,5a-methano-8,10,10-trimethyl-5-methylene-1-benzoxepin"	C15H23BrO2	 MF: 822	 RMF: 822	 Prob 7.85%		 Lib: w9n11	 ID: 501596.	500	678	500	12311	9243	9072	8100	12643	11375	12245	8150	12500	12767	8.965784285	9.405141463	8.965784285	13.58766033	13.17414547	13.14720492	12.98370619	13.62605121	13.47357892	13.57990515	12.99258434	13.60964047	13.64013194	9.112236677	13.30300358	13.36111211	0.684975887	0.06467017	0	1	1	2	0.681996873	0.06467017	0	1	1	2	4	red	red
met71	36680	1	30	1319	4.456	82.944252	490	"Hit 1 : Methane, bromodichloro-"	CHBrCl2	 MF: 938	 RMF: 938	 Prob 88.7%	 CAS: 75-27-4	 Lib: replib	 ID: 12004.	"Hit 2 : Methane, bromodichloro-"	CHBrCl2	 MF: 938	 RMF: 938	 Prob 88.7%	 CAS: 75-27-4	 Lib: w9n11	 ID: 89133.	"Hit 3 : Methane, bromodichloro-"	CHBrCl2	 MF: 937	 RMF: 937	 Prob 88.7%	 CAS: 75-27-4	 Lib: mainlib	 ID: 52862.	5550000	6300000	6050000	5550000	5600000	5950000	8070000	7380000	7060000	4760000	3630000	4980000	5530000	22.40405634	22.5869204	22.52850371	22.40405634	22.4169954	22.50445824	22.94413724	22.81518939	22.75123675	22.18253014	21.79153812	22.24771431	22.39884805	22.50649348	22.44183666	22.83685446	1.002881084	0.579727602	0	0	0	0	0.985533867	0.579727602	0	0	0	0	0	black	black
met72	55382	1	37	1338	4.519	214.983261	-278	Hit 1 : Methyl 2-exo-Amino-6-endo-(methylthio)bicyclo[2.2.1]-heptane-2-endo-carboxylate	C10H17NO2S	 MF: 838	 RMF: 838	 Prob 43.5%	 CAS: 127572-42-3	 Lib: w9n11	 ID: 222477.	Hit 2 : 3-(2-Phenylthioethynyl)cyclohexane	C14H16S	 MF: 808	 RMF: 808	 Prob 12.1%		 Lib: w9n11	 ID: 226526.	Hit 3 : o-(Methylamino)phenyl 2-thienyl ketone	C12H11NOS	 MF: 808	 RMF: 808	 Prob 12.1%		 Lib: w9n11	 ID: 227866.	236635	213003	206544	202285	205617	244916	209443	267887	240376	193057	248712	241119	273074	17.85230395	17.70051422	17.65608963	17.62602982	17.64960002	17.9019275	17.67619814	18.03126505	17.87493333	17.55866734	17.92411659	17.87938581	18.05893243	17.7363026	17.72585245	17.86079884	1.000589543	0.283677231	0	0	0	0	0.993029638	0.283677231	0	0	0	0	0	black	black
met73	4933	1	43	1374	4.64	74.038673	-937	"Hit 1 : Butanoic acid, methyl ester (CAS)"	C5H10O2	 MF: 651	 RMF: 878	 Prob 64.0%	 CAS: 623-42-7	 Lib: w9n11	 ID: 12060.	"Hit 2 : Butanoic acid, methyl ester"	C5H10O2	 MF: 650	 RMF: 869	 Prob 64.0%	 CAS: 623-42-7	 Lib: w9n11	 ID: 12063.	"Hit 3 : Butanoic acid, methyl ester"	C5H10O2	 MF: 650	 RMF: 869	 Prob 64.0%	 CAS: 623-42-7	 Lib: mainlib	 ID: 9271.	7771	7507	4760	500	6187	3716	6412	3403	2375	4794	500	4160	5872	12.92388455	12.87402077	12.21674586	8.965784285	12.59502432	11.85953479	12.64655871	11.73259144	11.2137118	12.22701419	8.965784285	12.02236781	12.51963625	12.67155039	11.14011446	11.86428731	1.137470394	0.06467017	1	0	1	2	1.06804143	0.06467017	0	0	1	1	3	red	black
met74	58631	1	39	1377	4.65	233.005661	-134	"Hit 1 : 3,3a,5,9b-Tetrahydro-5,5-dimethyl-[2]-benzopyran-2,6,9-trione"	C13H12O5	 MF: 902	 RMF: 902	 Prob 19.0%		 Lib: w9n11	 ID: 317211.	"Hit 2 : 3,5-O-isopropylidene-D-glycero-D-gulo-heptono-?-lactone"	C10H16O7	 MF: 896	 RMF: 896	 Prob 14.9%		 Lib: w9n11	 ID: 316212.	Hit 3 : 9(R/S)-Hydroxy-9(S/R)-phenyl-N-methyl-3-oxa-7-azabicyclo[3.3.1]nonane	C14H19NO2	 MF: 886	 RMF: 886	 Prob 10.5%		 Lib: w9n11	 ID: 274881.	79563	95867	53247	40917	76527	42151	57287	47003	54713	39675	76278	72953	69964	16.27981005	16.54874667	15.70041262	15.32041275	16.22368122	15.36327924	15.80592017	15.52046522	15.73959604	15.2759426	16.2189794	16.15467969	16.09432515	16.17632311	15.63579107	15.68866048	1.034570176	0.089400782	0	0	1	1	1.031083765	0.089400782	0	0	1	1	2	black	black
met75	28551	1	43	1381	4.664	54.034435	-1558	Hit 1 : (SR)-N-Crotyl-4-vinyloxazolidin-2-one	C9H13NO2	 MF: 489	 RMF: 683	 Prob 35.9%		 Lib: w9n11	 ID: 101772.	"Hit 2 : Oxazole, 4,5-dihydro-2-methyl-"	C4H7NO	 MF: 465	 RMF: 667	 Prob 12.0%	 CAS: 1120-64-5	 Lib: w9n11	 ID: 4607.	"Hit 3 : Oxazole, 4,5-dihydro-2-methyl-"	C4H7NO	 MF: 465	 RMF: 666	 Prob 12.0%	 CAS: 1120-64-5	 Lib: replib	 ID: 5197.	64312	69537	64565	43264	43809	54480	110960	96658	79394	50800	44072	42321	58460	15.97280034	16.08549321	15.97846469	15.40087944	15.41893966	15.73343908	16.75968017	16.56060152	16.27674236	15.63254088	15.42757475	15.3690861	15.83516221	16.01225274	15.51775273	16.53234135	1.031866729	0.06467017	0	0	1	1	0.96854114	0.06467017	0	0	1	1	2	black	black
met76	31205	1	35	1428	4.821	67.053352	-570	Hit 1 : 4-Penten-1-ol (CAS)	C5H10O	 MF: 770	 RMF: 798	 Prob 22.3%	 CAS: 821-09-0	 Lib: w9n11	 ID: 5154.	Hit 2 : 4-Penten-1-ol	C5H10O	 MF: 761	 RMF: 776	 Prob 22.3%	 CAS: 821-09-0	 Lib: w9n11	 ID: 5158.	Hit 3 : 4-Penten-1-ol (CAS)	C5H10O	 MF: 761	 RMF: 776	 Prob 22.3%	 CAS: 821-09-0	 Lib: w9n11	 ID: 5160.	165743	157824	111617	118352	125759	101550	342120	253906	349025	3009	3909	4488	2699	17.33858842	17.26795708	16.76819725	16.85272456	16.94030213	16.63183071	18.38414292	17.95393496	18.41297085	11.55506839	11.93258387	12.13185696	11.39820926	17.12491425	16.8082858	18.25034958	1.018837641	0.066607529	0	0	1	1	0.938333492	0.066607529	0	0	1	1	2	black	black
met77	49908	1	42	1441	4.865	156.994431	-320	"Hit 1 : (+/-)-1,3-dimethyl-3-phenylcyclopentene"	C13H16	 MF: 805	 RMF: 806	 Prob 31.1%	 CAS: 96455-77-5	 Lib: w9n11	 ID: 114802.	Hit 2 : N-Isobutyryldehydroalanine	C7H11NO3	 MF: 800	 RMF: 801	 Prob 25.1%		 Lib: w9n11	 ID: 81614.	Hit 3 : 3-(3-pentynyl)-hexahydro-2H-azepin-2-one	C11H17NO	 MF: 788	 RMF: 790	 Prob 16.7%	 CAS: 124943-52-8	 Lib: w9n11	 ID: 128681.	90638	92592	90844	67716	121313	83324	93947	123487	87255	103436	202548	192971	177974	16.46782841	16.49859993	16.47110361	16.04720913	16.88837463	16.34644448	16.51955947	16.91399965	16.41295018	16.65837886	17.62790431	17.55802453	17.44130697	16.47917732	16.42734275	16.6155031	1.003155384	0.068123409	0	0	1	1	0.991795266	0.068123409	0	0	1	1	2	black	black
met78	38441	1	69	1486	5.016	85.063911	-591	Hit 1 : 2-METHYLPIPERAZINE	C15H12N2	 MF: 773	 RMF: 877	 Prob 15.1%		 Lib: w9n11	 ID: 237739.	"Hit 2 : Oxirane, (2-methylbutyl)-"	C7H14O	 MF: 768	 RMF: 806	 Prob 12.2%	 CAS: 53229-42-8	 Lib: w9n11	 ID: 20598.	"Hit 3 : Oxirane, (2-methylbutyl)-"	C7H14O	 MF: 768	 RMF: 806	 Prob 12.2%	 CAS: 53229-42-8	 Lib: mainlib	 ID: 2749.	1470000	2070000	2390000	4350000	3910000	3580000	6030000	5390000	7950000	36532	39630	40374	43639	20.48738472	20.98119934	21.18857919	22.05258397	21.89873718	21.77152816	22.52372657	22.36185384	22.92252343	15.15687312	15.27430535	15.30113891	15.41333042	20.88572108	21.90761643	22.60270128	0.953354334	0.06467017	0	0	1	1	0.924036504	0.06467017	0	0	1	1	2	black	black
met79	170	1	10	1512	5.103	93.989822	-102	Hit 1 : Phenyl Methylhydrazino N-sulfamoylisosemicarbazide	C8H12N4O3S	 MF: 999	 RMF: 999	 Prob 12.5%		 Lib: w9n11	 ID: 304925.	Hit 2 : 1-methoxy-2-(methylsulphinyl)-1-(2'-furyl)ethane	C8H12O3S	 MF: 988	 RMF: 988	 Prob 8.57%	 CAS: 123456-33-7	 Lib: w9n11	 ID: 149264.	Hit 3 : 2-Methyl-2-phenoxypropane	C10H14O	 MF: 984	 RMF: 984	 Prob 7.24%		 Lib: w9n11	 ID: 67523.	5610000	5410000	5930000	6060000	5890000	6020000	5260000	5790000	5290000	4910000	6880000	8180000	6900000	22.41956934	22.36719716	22.49960067	22.53088636	22.4898362	22.52133206	22.32663137	22.46513192	22.33483629	22.22729159	22.71397713	22.96366941	22.71816493	22.42878906	22.51401821	22.37553319	0.996214396	0.06467017	0	0	1	1	1.002380094	0.06467017	0	0	1	1	2	black	black
met80	30247	1	2427	1517	5.12	61.010254	-494	"Hit 1 : Disulfide, dimethyl (CAS)"	C2H6S2	 MF: 688	 RMF: 731	 Prob 56.0%	 CAS: 624-92-0	 Lib: w9n11	 ID: 7461.	Hit 2 : Dimethyldisulfide	C2H6S2	 MF: 640	 RMF: 657	 Prob 56.0%	 CAS: 624-92-0	 Lib: w9n11	 ID: 7465.	"Hit 3 : Disulfide, dimethyl (CAS)"	C2H6S2	 MF: 639	 RMF: 651	 Prob 56.0%	 CAS: 624-92-0	 Lib: w9n11	 ID: 7452.	5790000	6050000	5300000	5340000	5790000	5700000	5780000	5190000	5490000	447343	733828	1360000	733584	22.46513192	22.52850371	22.33756093	22.34840831	22.46513192	22.44253049	22.46263806	22.30730311	22.38837472	18.77102192	19.48508243	20.37517522	19.48460265	22.44373219	22.41869024	22.3861053	1.001117012	0.06467017	0	0	1	1	1.002574226	0.06467017	0	0	1	1	2	black	black
met81	25380	1	1112	1521	5.133	61.024014	-1008	"Hit 1 : 9-Azabicyclo[6.1.0]non-4-ene, 9,9'-azobis-, [1?,4Z,8?,9[E(1'R*,4'Z,8'S*)]]- (CAS)"	C16H24N4	 MF: 630	 RMF: 665	 Prob 57.0%	 CAS: 66387-82-4	 Lib: w9n11	 ID: 387828.	Hit 2 : ETHYL-D5 ETHYL ETHER	C4H5D5O	 MF: 594	 RMF: 758	 Prob 14.1%	 CAS: 28623-48-5	 Lib: w9n11	 ID: 2724.	Hit 3 : 7-Methylbicyclo[2.2.1]hept-5-en-2-one	C8H10O	 MF: 572	 RMF: 621	 Prob 5.56%		 Lib: w9n11	 ID: 27565.	3550000	2940000	2260000	3490000	3680000	3270000	3750000	4620000	3930000	500	500	500	500	21.75938759	21.48738472	21.10789134	21.73479561	21.81127434	21.64085921	21.83845916	22.13946142	21.90609788	8.965784285	8.965784285	8.965784285	8.965784285	21.45155455	21.72897638	21.96133949	0.987232632	0.06467017	0	0	1	1	0.976787166	0.06467017	0	0	1	1	2	black	black
met82	27843	1	1729	1529	5.16	61.022839	-1502	"Hit 1 : Disulfide, dimethyl"	C2H6S2	 MF: 549	 RMF: 602	 Prob 28.4%	 CAS: 624-92-0	 Lib: replib	 ID: 14279.	"Hit 2 : Disulfide, dimethyl"	C2H6S2	 MF: 549	 RMF: 601	 Prob 28.4%	 CAS: 624-92-0	 Lib: w9n11	 ID: 7458.	"Hit 3 : Disulfide, dimethyl"	C2H6S2	 MF: 537	 RMF: 586	 Prob 28.4%	 CAS: 624-92-0	 Lib: w9n11	 ID: 7453.	2080000	500	500	2100000	1880000	1830000	1990000	2050000	1980000	500	500	500	500	20.9881521	8.965784285	8.965784285	21.0019579	20.84230123	20.80341222	20.924337	20.96719248	20.917069	8.965784285	8.965784285	8.965784285	8.965784285	12.97324022	20.88255712	20.93619949	0.621247683	0.228359401	0	1	0	1	0.619655933	0.228359401	0	1	0	1	2	black	black
met83	57300	1	596	1550	5.231	93.989197	-1048	"Hit 1 : Disulfide, dimethyl (CAS)"	C2H6S2	 MF: 675	 RMF: 738	 Prob 24.0%	 CAS: 624-92-0	 Lib: w9n11	 ID: 7457.	"Hit 2 : Disulfide, dimethyl"	C2H6S2	 MF: 663	 RMF: 715	 Prob 24.0%	 CAS: 624-92-0	 Lib: w9n11	 ID: 7453.	"Hit 3 : Disulfide, dimethyl"	C2H6S2	 MF: 663	 RMF: 715	 Prob 24.0%	 CAS: 624-92-0	 Lib: replib	 ID: 14278.	8210000	8210000	8110000	8150000	8170000	8040000	8190000	8090000	7970000	10740	500	500	500	22.96895079	22.96895079	22.95127048	22.95836863	22.96190465	22.93876407	22.96543202	22.94770827	22.92614829	13.39070637	8.965784285	8.965784285	8.965784285	22.96305736	22.95301245	22.94642953	1.000437629	0.104399725	0	0	0	0	1.000724637	0.104399725	0	0	0	0	0	black	black
met84	65334	1	91	1575	5.315	153.019119	-278	Hit 1 : N3-Allyl-2-thiouracil	C7H8N2OS	 MF: 839	 RMF: 869	 Prob 61.6%		 Lib: w9n11	 ID: 102590.	"Hit 2 : 2-Ethyl-3-(n-butyl)penta-3,4-dienoic acid"	C11H18O2	 MF: 800	 RMF: 834	 Prob 14.5%		 Lib: w9n11	 ID: 137014.	Hit 3 : (E)-2-[(Trimethylsilyl)methylene]cyclopentanone	C9H16OSi	 MF: 790	 RMF: 819	 Prob 10.3%		 Lib: w9n11	 ID: 103750.	6080000	5770000	3320000	3200000	6870000	3690000	3610000	4120000	4710000	2900000	5040000	4390000	5530000	22.53563989	22.46013989	21.66275181	21.60964047	22.71187867	21.81518939	21.78356741	21.97421291	22.16729563	21.46762147	22.2649923	22.06578951	22.39884805	22.21951053	22.04556951	21.97502531	1.007890067	0.245948028	0	0	0	0	1.011125594	0.245948028	0	0	0	0	0	black	black
met85	55389	1	79	1590	5.365	233.006943	102	Hit 1 : 3-Phenyl-2-(p-tolyl)-1H-pyrrole	C17H15N	 MF: 871	 RMF: 871	 Prob 48.7%		 Lib: w9n11	 ID: 275283.	Hit 2 : 6-methyl-2-p-tolylquinoline	C17H15N	 MF: 801	 RMF: 801	 Prob 7.08%	 CAS: 118714-26-4	 Lib: w9n11	 ID: 275245.	"Hit 3 : 3,3a,5,9b-Tetrahydro-5,5-dimethyl-[2]-benzopyran-2,6,9-trione"	C13H12O5	 MF: 800	 RMF: 800	 Prob 6.81%		 Lib: w9n11	 ID: 317211.	1140000	1020000	1000000	956836	921207	1110000	821873	1170000	838018	887347	2070000	1580000	2070000	20.12060239	19.96013772	19.93156857	19.86791214	19.81316585	20.08212825	19.64855595	20.1580771	19.67662171	19.75913886	20.98119934	20.59149313	20.98119934	20.00410289	19.92106875	19.82775159	1.004168157	0.116144065	0	0	0	0	1.008894166	0.116144065	0	0	0	0	0	black	black
met86	299	1	21	1598	5.392	81.032608	-1103	Hit 1 : 4-Cyano-1-butene	C5H7N	 MF: 660	 RMF: 860	 Prob 42.5%	 CAS: 592-51-8	 Lib: w9n11	 ID: 3415.	"Hit 2 : 1,3,5-Triazine"	C3H3N3	 MF: 644	 RMF: 864	 Prob 24.4%	 CAS: 290-87-9	 Lib: w9n11	 ID: 3405.	"Hit 3 : 1,3,5-Triazine"	C3H3N3	 MF: 644	 RMF: 864	 Prob 24.4%	 CAS: 290-87-9	 Lib: replib	 ID: 11460.	51447	50632	39475	19054	7455	21257	66058	59360	60187	60045	59088	53082	94440	15.65079933	15.62776185	15.26865165	14.21780627	12.86399264	14.37565038	16.01144567	15.85720347	15.87716429	15.8737565	15.85057755	15.69593511	16.52711042	15.51573761	13.81914976	15.91527114	1.122770784	0.06467017	1	0	1	2	0.974896216	0.06467017	0	0	1	1	3	red	black
met87	36234	1	35	1628	5.492	73.02932	-744	Hit 1 : [1-(2)H(2)]-3-Methylbut-2-en-1-ol	C5H8D2O	 MF: 737	 RMF: 972	 Prob 16.9%	 CAS: 6158-92-5	 Lib: w9n11	 ID: 5364.	"Hit 2 : 2,3-dimethyl-3-methoxybutan-1-ol"	C7H16O2	 MF: 714	 RMF: 938	 Prob 6.16%	 CAS: 58330-06-6	 Lib: w9n11	 ID: 39224.	"Hit 3 : 1-Trimethylsilylmethyl-2-hexyl-3,3-dichlorocyclopropane"	C13H26Cl2Si	 MF: 686	 RMF: 999	 Prob 1.78%		 Lib: w9n11	 ID: 408414.	40700	16637	16662	19358	20229	12780	52269	30050	1550000	15026	14034	12477	17392	15.31274117	14.02210769	14.02427396	14.24064229	14.30413738	13.64160022	15.67366794	14.87507737	20.56383678	13.87517339	13.77663865	13.60698347	14.08613623	14.45304094	14.06212663	17.03752736	1.027799089	0.169214563	0	0	0	0	0.84830625	0.169214563	0	1	0	1	1	black	black
met88	30218	1	39	1662	5.607	61.010319	-232	"Hit 1 : 1,3-Difluoroacetone"	C3H4F2O	 MF: 615	 RMF: 844	 Prob 92.4%	 CAS: 453-14-5	 Lib: w9n11	 ID: 7483.	"Hit 2 : 1,3-Difluoroacetone"	C3H4F2O	 MF: 595	 RMF: 807	 Prob 92.4%	 CAS: 453-14-5	 Lib: w9n11	 ID: 7478.	"Hit 3 : 1,3-Difluoroacetone"	C3H4F2O	 MF: 592	 RMF: 836	 Prob 92.4%	 CAS: 453-14-5	 Lib: w9n11	 ID: 7482.	121244	108730	79166	76137	63518	77573	91921	92558	76533	1919	2308	2306	3522	16.88755383	16.73039053	16.27259334	16.2163101	15.95487787	16.24326698	16.48810687	16.49807007	16.22379433	10.906139	11.17242751	11.1711768	11.78217919	16.63017923	16.13815165	16.40332376	1.030488472	0.075868458	0	0	1	1	1.013829848	0.075868458	0	0	1	1	2	black	black
met89	58422	1	37	1674	5.647	229.033905	160	Hit 1 : Di(phenylthio)(p-methoxyphenyl)mathane	C20H18OS2	 MF: 940	 RMF: 947	 Prob 73.3%		 Lib: w9n11	 ID: 560711.	"Hit 2 : (Z)-2-Phenyl-1-(triethylsilyl)-1,4-pentadiene"	C17H26Si	 MF: 901	 RMF: 907	 Prob 17.3%		 Lib: w9n11	 ID: 348110.	Hit 3 : 1-Phenyl-3-carbamyl-2(1H)-pyridinethone	C12H10N2OS	 MF: 849	 RMF: 855	 Prob 3.45%	 CAS: 75407-66-8	 Lib: w9n11	 ID: 265661.	57080	67569	47312	19689	28363	16136	54875	37658	49014	24533	30693	37006	27070	15.80069771	16.04407388	15.52991853	14.26510222	14.79172252	13.97799537	15.74386141	15.20066876	15.58090627	14.58243604	14.90562204	15.17547158	14.72440727	15.79156338	14.34494003	15.50847881	1.100845548	0.06467017	1	0	1	2	1.018253535	0.06467017	0	0	1	1	3	red	black
met90	30664	1	46	1696	5.721	91.053406	125	"Hit 1 : Benzene, methyl- (CAS)"	C7H8	 MF: 997	 RMF: 997	 Prob 47.0%	 CAS: 108-88-3	 Lib: w9n11	 ID: 7220.	"Hit 2 : Benzene, methyl- (CAS)"	C7H8	 MF: 961	 RMF: 961	 Prob 47.0%	 CAS: 108-88-3	 Lib: w9n11	 ID: 7218.	"Hit 3 : 2-Butanone, 3,3-dimethyl-1-(methylsulfonyl)-, O-[(methylamino)carbonyl]oxime (CAS)"	C9H18N2O4S	 MF: 960	 RMF: 960	 Prob 11.4%	 CAS: 39184-59-3	 Lib: w9n11	 ID: 321827.	2170000	2230000	3270000	7670000	3260000	3580000	3330000	2610000	2820000	1820000	1990000	2290000	1940000	21.04926361	21.08861228	21.64085921	22.87079515	21.63644053	21.77152816	21.66709075	21.31561838	21.42726373	20.79550702	20.924337	21.12691617	20.88762522	21.25957837	22.09292128	21.46999095	0.962280094	0.113193132	0	0	0	0	0.990199689	0.113193132	0	0	0	0	0	black	black
met91	37962	1	17	1731	5.838	97.010338	251	"Hit 1 : Thiophene, 2-methyl- (CAS)"	C5H6S	 MF: 964	 RMF: 971	 Prob 63.1%	 CAS: 554-14-3	 Lib: w9n11	 ID: 8948.	"Hit 2 : Thiophene, 3-methyl- (CAS)"	C5H6S	 MF: 945	 RMF: 971	 Prob 30.7%	 CAS: 616-44-4	 Lib: w9n11	 ID: 8955.	"Hit 3 : Thiophene, 3-methyl- (CAS)"	C5H6S	 MF: 944	 RMF: 971	 Prob 30.7%	 CAS: 616-44-4	 Lib: w9n11	 ID: 8956.	160135	150723	159728	159907	148129	139666	325710	189295	212276	76568	47855	74864	62323	17.28892914	17.20154006	17.28525771	17.28687357	17.17649459	17.09162133	18.31322849	17.53027678	17.69558174	16.22445395	15.54638205	16.19198451	15.92747706	17.25857564	17.1849965	17.84636234	1.004281592	0.066579461	0	0	1	1	0.967064061	0.066579461	0	0	1	1	2	black	black
met92	1899	1	35	1766	5.955	71.048683	-781	Hit 1 : Prenol	C5H10O	 MF: 641	 RMF: 702	 Prob 35.3%	 CAS: 556-82-1	 Lib: replib	 ID: 9045.	"Hit 2 : 2-Buten-1-ol, 3-methyl-"	C5H10O	 MF: 641	 RMF: 702	 Prob 35.3%	 CAS: 556-82-1	 Lib: w9n11	 ID: 5181.	"Hit 3 : 2-BUTEN-1-OL, 3-METHYLC5H10O?"	MF: 637	 RMF: 702	 Prob 35.3%	 CAS: 556-82-1		 Lib: w9n11	 ID: 5187.	32282	32136	19728	11811	14963	10414	98556	76187	98688	500	798	500	500	14.97844234	14.97190275	14.26795708	13.5278435	13.86911184	13.34623669	16.58865608	16.21725723	16.59058705	8.965784285	9.640244936	8.965784285	8.965784285	14.73943406	13.58106401	16.46550012	1.085293026	0.06467017	0	0	1	1	0.895170748	0.06467017	0	1	1	2	3	black	red
met93	36235	1	38	1784	6.016	74.035561	-109	"Hit 1 : Butanoic acid, 2-methyl-, methyl ester (CAS)"	C6H12O2	 MF: 816	 RMF: 838	 Prob 46.2%	 CAS: 868-57-5	 Lib: w9n11	 ID: 22124.	"Hit 2 : Butanoic acid, 2-methyl-, methyl ester (CAS)"	C6H12O2	 MF: 811	 RMF: 829	 Prob 46.2%	 CAS: 868-57-5	 Lib: w9n11	 ID: 22123.	"Hit 3 : Butanoic acid, 3-methyl-, methyl ester (CAS)"	C6H12O2	 MF: 811	 RMF: 828	 Prob 37.2%	 CAS: 556-24-1	 Lib: w9n11	 ID: 22129.	137645	78651	54216	78350	83345	19497	141505	34438	166245	5034	500	6261	6036	17.07059268	16.26317749	15.72643106	16.25764565	16.34680803	14.25096453	17.11049351	15.07171374	17.34295143	12.2974895	8.965784285	12.61217739	12.55937709	16.35340041	15.61847274	16.50838622	1.047055028	0.070715784	0	0	1	1	0.990611692	0.070715784	0	0	1	1	2	black	black
met94	56820	1	86	1790	6.036	211.006989	-138	"Hit 1 : 3,6,6-Trimethyl-2-thioxo-2,3,6,7-tetrahydro-1,3-benzoxazol-4(5)-one"	C10H13NO2S	 MF: 873	 RMF: 873	 Prob 49.3%		 Lib: w9n11	 ID: 211839.	"Hit 2 : Ethyl (3R,5S)-3,5-syn-isopropylidenedioxy-6-heptynoate"	C12H18O4	 MF: 826	 RMF: 826	 Prob 10.3%		 Lib: w9n11	 ID: 254967.	"Hit 3 : 7-Hydroxy-2-methyl-2-(N-Methylanilino)deca-2,4-dienenitrile"	C18H24N2O	 MF: 822	 RMF: 880	 Prob 8.70%		 Lib: w9n11	 ID: 422175.	1950000	2350000	1930000	865495	1140000	774890	1290000	1360000	1240000	788974	1490000	1390000	1480000	20.89504269	21.16422933	20.88016942	19.72316596	20.12060239	19.563632	20.29893963	20.37517522	20.24190869	19.58961823	20.5068809	20.40665345	20.49716575	20.97981381	19.80246678	20.30534118	1.059454564	0.06467017	0	0	1	1	1.033216513	0.06467017	0	0	1	1	2	black	black
met95	28445	1	56	1800	6.07	97.010063	-104	"Hit 1 : Thiophene, 2-methyl- (CAS)"	C5H6S	 MF: 904	 RMF: 906	 Prob 56.1%	 CAS: 554-14-3	 Lib: w9n11	 ID: 8948.	"Hit 2 : Thiophene, 3-methyl- (CAS)"	C5H6S	 MF: 884	 RMF: 912	 Prob 25.6%	 CAS: 616-44-4	 Lib: w9n11	 ID: 8954.	"Hit 3 : Thiophene, 3-methyl- (CAS)"	C5H6S	 MF: 872	 RMF: 894	 Prob 25.6%	 CAS: 616-44-4	 Lib: w9n11	 ID: 8953.	1070000	917039	1110000	754136	364791	511391	2210000	503835	1790000	121977	31066	65458	31918	20.02917937	19.80662356	20.08212825	19.5244652	18.47671061	18.96406725	21.07561494	18.94259182	20.77152816	16.89624961	14.92304887	15.9982819	14.96208263	19.97264373	18.98841435	20.26324497	1.051833152	0.06467017	0	0	1	1	0.985658701	0.06467017	0	0	1	1	2	black	black
met96	34668	1	34	1837	6.194	82.064857	-399	Hit 1 : 6-Bromo-5-hydroxyindole	C8H6BrNO	 MF: 770	 RMF: 770	 Prob 36.6%		 Lib: w9n11	 ID: 211431.	Hit 2 : 5-( Chloromethyl)-3-phenyl-1-oxazolidinone	C10H10ClNO2	 MF: 768	 RMF: 768	 Prob 33.8%		 Lib: w9n11	 ID: 211761.	"Hit 3 : 2,4-Dichloro-3-methylquonoline"	C10H7Cl2N	 MF: 727	 RMF: 743	 Prob 7.71%		 Lib: w9n11	 ID: 211724.	138529	148863	267829	64839	99927	62327	177509	106640	96501	64868	48998	82223	25478	17.0798285	17.18362569	18.03095266	15.98457422	16.60858692	15.92756965	17.43753265	16.70238916	16.55825627	15.98521934	15.58043524	16.32725439	14.63696441	17.43146895	16.17357693	16.89939269	1.07777451	0.110686342	0	0	0	0	1.031484934	0.110686342	0	0	0	0	0	black	black
met97	28169	1	38	1853	6.247	84.056633	-190	"Hit 1 : 1,3-Propanediol, 2-methyl-2-propyl-, dicarbamate (CAS)"	C9H18N2O4	 MF: 865	 RMF: 914	 Prob 31.0%	 CAS: 57-53-4	 Lib: w9n11	 ID: 229435.	"Hit 2 : 2-Pentenal, (E)-"	C5H8O	 MF: 859	 RMF: 868	 Prob 24.3%	 CAS: 1576-87-0	 Lib: w9n11	 ID: 4104.	"Hit 3 : 2-Pentenal, (E)-"	C5H8O	 MF: 859	 RMF: 868	 Prob 24.3%	 CAS: 1576-87-0	 Lib: mainlib	 ID: 20914.	159484	138169	123378	139005	136880	142665	200854	171727	191092	110356	98956	98595	122796	17.28305217	17.07607444	16.91272564	17.08477725	17.06255214	17.12227192	17.61578767	17.38975736	17.54390786	16.75180554	16.59449956	16.58922687	16.90590404	17.09061742	17.0898671	17.51648429	1.000043904	0.06467017	0	0	1	1	0.975687651	0.06467017	0	0	1	1	2	black	black
met98	65459	1	81	1875	6.321	133.01268	-331	"Hit 1 : (3R*,4R*)-3-(2-Nitro-4-methoxyphenyl)-4-(4-hydroxyphenyl)hexane"	C19H23NO4	 MF: 787	 RMF: 880	 Prob 43.7%	 CAS: 88932-48-3	 Lib: w9n11	 ID: 540140.	Hit 2 : 1-Methyl-4-[2'-(methylthio)ethenyl]-benzene	C10H12S	 MF: 775	 RMF: 869	 Prob 29.1%		 Lib: w9n11	 ID: 95008.	"Hit 3 : (2,2-Difluorovinyl)triethylsilane"	C8H16F2Si	 MF: 733	 RMF: 823	 Prob 6.52%		 Lib: w9n11	 ID: 124946.	2970000	2950000	2140000	1430000	1610000	1630000	2000000	1850000	2080000	2150000	1680000	1760000	1650000	21.5020315	21.49228352	21.02917937	20.44758372	20.61862926	20.63644053	20.93156857	20.81909384	20.9881521	21.03590523	20.6800298	20.747144	20.65403459	21.3411648	20.56755117	20.91293817	1.037613308	0.06467017	0	0	1	1	1.020476636	0.06467017	0	0	1	1	2	black	black
met99	31778	1	20	1892	6.378	70.077003	-558	"Hit 1 : Ethyl 2,2-dimethyl-5-oxo-5,6-dihydro-2H-pyridine-1-carboxylate"	C9H17NO3	 MF: 817	 RMF: 999	 Prob 7.56%		 Lib: w9n11	 ID: 148036.	"Hit 2 : Ethyl 2,2-dimethyl-3,-5-dioxopiperidine-1-carboxylate"	C10H15NO4	 MF: 817	 RMF: 999	 Prob 7.56%		 Lib: w9n11	 ID: 217436.	"Hit 3 : Methyl (cis / exo)-8-oxo-3,9-dioxatricyclo[5.4.0(2,6)]undec-10-ene-11-carboxylate"	C11H12O5	 MF: 817	 RMF: 999	 Prob 7.56%		 Lib: w9n11	 ID: 248460.	25926	27844	24122	18977	25716	41224	29413	27558	27170	36386	76859	17159	20819	14.66211202	14.76507886	14.55806191	14.21196432	14.65037864	15.33119688	14.84416632	14.75018357	14.72972695	15.15109584	16.22992659	14.06667786	14.34561315	14.66175093	14.73117994	14.77469228	0.995286934	0.083796655	0	0	1	1	0.992355756	0.083796655	0	0	1	1	2	black	black
met20	34901	0.970175	27	1905	6.422	55.053627	-520	"Hit 1 : 2,4-Dimethylsulfolane"	C6H12O2S	 MF: 781	 RMF: 799	 Prob 12.7%	 CAS: 1003-78-7	 Lib: mainlib	 ID: 4705.	"Hit 2 : 2,4-Dimethylsulfolane"	C6H12O2S	 MF: 781	 RMF: 799	 Prob 12.7%	 CAS: 1003-78-7	 Lib: w9n11	 ID: 62412.	"Hit 3 : 2-Ethylthiolane, S,S-dioxide"	C6H12O2S	 MF: 764	 RMF: 802	 Prob 6.95%	 CAS: 10178-59-3	 Lib: mainlib	 ID: 22356.	87065	60664	76384	46047	72438	100428	74599	81709	76291	103702	204531	48261	65667	16.40980525	15.88855301	16.22098285	15.49081955	16.14445909	16.61580203	16.18686867	16.31820738	16.21922525	16.66208419	17.64196	15.55857019	16.00288093	16.1731137	16.08369356	16.24143377	1.005559677	0.133216751	0	0	0	0	0.995793471	0.133216751	0	0	0	0	0	black	black
met100	40941	1	19	1956	6.593	113.095581	-625	"Hit 1 : 2,2,6-Trimethyltetrahydropyran"	C8H16O	 MF: 766	 RMF: 928	 Prob 17.9%		 Lib: w9n11	 ID: 34706.	Hit 2 : 4-Ethylpyrrolidin-2-one	C6H11NO	 MF: 758	 RMF: 903	 Prob 13.4%		 Lib: w9n11	 ID: 19113.	"Hit 3 : (4S,5R)-4,5-Dihydroxy-4-ethylhexanoic acid 1,4-lactone"	C8H14O3	 MF: 756	 RMF: 871	 Prob 12.3%		 Lib: w9n11	 ID: 83121.	34770	26845	51692	35437	36964	37461	36387	55034	71481	45548	45098	34483	31918	15.08555545	14.71236578	15.6576534	15.11296885	15.17383326	15.19310179	15.15113549	15.74803557	16.1252722	15.47510009	15.46077583	15.07359767	14.96208263	15.15185821	15.15996797	15.67481442	0.999465054	0.072585618	0	0	1	1	0.966637167	0.072585618	0	0	1	1	2	black	black
met101	7937	1	22	1977	6.663	95.04921	125	Hit 1 : 2-Amino-4-methyl-2-pentennitrile	C6H10N2	 MF: 917	 RMF: 985	 Prob 40.7%		 Lib: w9n11	 ID: 16149.	"Hit 2 : Ethanone, 1-(2-furanyl)- (CAS)"	C6H6O2	 MF: 910	 RMF: 978	 Prob 31.2%	 CAS: 1192-62-7	 Lib: w9n11	 ID: 16034.	Hit 3 : 2-Ethyl-5-methylfuran	C7H10O	 MF: 864	 RMF: 908	 Prob 6.58%	 CAS: 1703-52-2	 Lib: w9n11	 ID: 16256.	28022	31101	25414	20600	25286	24630	37940	31244	39835	16333	15262	16139	18411	14.77427231	14.92467335	14.63333584	14.33035672	14.62605121	14.58812901	15.21143206	14.93129155	15.28174895	13.99550218	13.89765641	13.97826357	14.16828037	14.77742717	14.51484565	15.14149085	1.018090549	0.066607529	0	0	1	1	0.975955889	0.066607529	0	0	1	1	2	black	black
met102	44593	1	31	1980	6.673	131.087723	-984	"Hit 1 : 1-Butanol, TBDMS derivative"	C10H24OSi	 MF: 708	 RMF: 733	 Prob 10.3%		 Lib: mainlib	 ID: 115561.	"Hit 2 : 1-Butanol, tert-butyldimethylsilyl ether"	C10H24OSi	 MF: 708	 RMF: 733	 Prob 10.3%		 Lib: w9n11	 ID: 150480.	Hit 3 : 1-Dimethylthexylsilyloxybutane	C12H28OSi	 MF: 702	 RMF: 710	 Prob 8.08%	 CAS: 103588-84-7	 Lib: mainlib	 ID: 115560.	53376	65629	44416	56017	44768	63861	77418	74555	102440	500	500	500	500	15.70390357	16.00204583	15.43879185	15.7735771	15.45018025	15.96264752	16.24038142	16.18601749	16.64441963	8.965784285	8.965784285	8.965784285	8.965784285	15.71491375	15.72880162	16.35693951	0.999117042	0.112160109	0	0	0	0	0.960749029	0.112160109	0	0	0	0	0	black	black
met103	34949	1	32	1991	6.71	55.053764	-258	"Hit 1 : 2-Hexene, 2,3-dimethyl-"	C8H16	 MF: 851	 RMF: 887	 Prob 21.3%	 CAS: 7145-20-2	 Lib: replib	 ID: 5148.	"Hit 2 : 2-Hexene, 2,3-dimethyl-"	C8H16	 MF: 851	 RMF: 887	 Prob 21.3%	 CAS: 7145-20-2	 Lib: w9n11	 ID: 18481.	"Hit 3 : 3-Hexene, 3-ethyl- (CAS)"	C8H16	 MF: 843	 RMF: 923	 Prob 15.9%	 CAS: 16789-51-8	 Lib: w9n11	 ID: 18502.	127024	120225	149011	99877	122551	137025	153001	154375	183306	144942	145954	122980	135679	16.95474158	16.8753774	17.18505931	16.60786487	16.90302273	17.06407961	17.22318156	17.23607961	17.48389448	17.14511618	17.15515422	16.90806419	17.04983792	17.00505943	16.8583224	17.31438522	1.00870413	0.079944218	0	0	1	1	0.982134752	0.079944218	0	0	1	1	2	black	black
met104	58421	1	76	1997	6.731	229.03479	201	Hit 1 : Di(phenylthio)(p-methoxyphenyl)mathane	C20H18OS2	 MF: 947	 RMF: 957	 Prob 71.4%		 Lib: w9n11	 ID: 560711.	"Hit 2 : (Z)-2-Phenyl-1-(triethylsilyl)-1,4-pentadiene"	C17H26Si	 MF: 908	 RMF: 908	 Prob 16.8%		 Lib: w9n11	 ID: 348110.	Hit 3 : 1-Phenyl-3-carbamyl-2(1H)-pyridinethone	C12H10N2OS	 MF: 885	 RMF: 885	 Prob 6.14%	 CAS: 75407-66-8	 Lib: w9n11	 ID: 265661.	293601	273772	256190	268986	270155	556688	189301	209533	214773	1070000	604341	583950	639401	18.16349736	18.06261538	17.96685464	18.03717156	18.04342786	19.08650946	17.53032251	17.67681795	17.71245311	20.02917937	19.2050033	19.15548532	19.28636147	18.06432246	18.38903629	17.63986452	0.982341987	0.06467017	0	0	1	1	1.024062426	0.06467017	0	0	1	1	2	black	black
met105	36681	1	47	2006	6.761	128.890854	155	"Hit 1 : Methane, dibromochloro- (CAS)"	CHBr2Cl	 MF: 930	 RMF: 960	 Prob 71.7%	 CAS: 124-48-1	 Lib: w9n11	 ID: 195949.	Hit 2 : Bromochloronitromethane	CHBrClNO2	 MF: 893	 RMF: 961	 Prob 17.4%	 CAS: 135531-25-8	 Lib: mainlib	 ID: 113676.	Hit 3 : Bromochloronitromethane	CHBrClNO2	 MF: 893	 RMF: 961	 Prob 17.4%	 CAS: 135531-25-8	 Lib: w9n11	 ID: 114902.	1840000	2340000	2090000	1580000	1750000	1940000	4320000	3140000	2760000	1490000	1060000	1630000	2000000	20.81127434	21.1580771	20.99507151	20.59149313	20.73892349	20.88762522	22.04259988	21.58233313	21.39623684	20.5068809	20.01563283	20.63644053	20.93156857	20.98814098	20.73934728	21.67372328	1.011996217	0.345127916	0	0	0	0	0.968368042	0.345127916	0	0	0	0	0	black	black
met106	33221	1	41	2039	6.871	91.974045	-155	"Hit 1 : 5-N-Phthalyl-2,3,4-tri-O-benzyl-D-rxylose"	C34H31NO6	 MF: 852	 RMF: 950	 Prob 31.7%		 Lib: w9n11	 ID: 788075.	"Hit 2 : (1RS,7SR,2'RS,3'SR)-3',9,9-Trichlorospiro[bicyclo[5.2.0]nona-2,4-dien-8-2'-oxetan]-4'-one"	C11H9Cl3O2	 MF: 847	 RMF: 945	 Prob 25.6%		 Lib: w9n11	 ID: 402210.	Hit 3 : 6-Benzyloxyhexyl Bromide	C13H19BrO	 MF: 846	 RMF: 944	 Prob 24.6%		 Lib: w9n11	 ID: 380323.	4870000	4320000	3440000	3600000	2920000	4060000	5100000	4230000	3590000	4479	5601	60210	7714	22.21549034	22.04259988	21.71397713	21.77956548	21.47753694	21.9530483	22.28206582	22.01222623	21.77555241	12.12896095	12.45146871	15.8777155	12.91326343	21.99068912	21.7367169	22.02328149	1.011684019	0.070715784	0	0	1	1	0.998520095	0.070715784	0	0	1	1	2	black	black
met107	30123	1	49	2086	7.029	105.990036	-539	"Hit 1 : 1,2-Dithiolane"	C3H6S2	 MF: 707	 RMF: 838	 Prob 71.4%	 CAS: 557-22-2	 Lib: replib	 ID: 1365.	"Hit 2 : 1,2-Dithiolane"	C3H6S2	 MF: 707	 RMF: 838	 Prob 71.4%	 CAS: 557-22-2	 Lib: w9n11	 ID: 13973.	"Hit 3 : 1,2-Dithiacyclopentane"	C3H6S2	 MF: 706	 RMF: 837	 Prob 71.4%	 CAS: 557-22-2	 Lib: w9n11	 ID: 13975.	59886	53451	61841	53089	31055	44283	58655	48099	69475	500	500	500	500	15.86993115	15.70592932	15.91627603	15.69612535	14.92253795	15.43446534	15.83996647	15.55371928	16.08420631	8.965784285	8.965784285	8.965784285	8.965784285	15.83071217	15.35104288	15.82596402	1.031246691	0.066894347	0	0	1	1	1.000300023	0.066894347	0	0	1	1	2	black	black
met108	7773	1	9	2119	7.14	110.071846	-394	"Hit 1 : N-(3-Methylbuta-1,2-dienyl)azomethane"	C6H10N2	 MF: 797	 RMF: 872	 Prob 34.1%		 Lib: w9n11	 ID: 16188.	Hit 2 : 1-(1-PHENYLSULPHINYLETHYL)CYCLOHEXENE	C14H18S	 MF: 794	 RMF: 794	 Prob 30.2%		 Lib: w9n11	 ID: 231913.	"Hit 3 : 2,3,5-Trimethylfuran"	C7H10O	 MF: 779	 RMF: 784	 Prob 18.3%	 CAS: 10504-04-8	 Lib: w9n11	 ID: 16265.	500	1097	8622	500	500	500	500	500	500	500	500	500	500	8.965784285	10.09934781	13.07380685	8.965784285	8.965784285	8.965784285	8.965784285	8.965784285	8.965784285	8.965784285	8.965784285	8.965784285	8.965784285	10.71297965	8.965784285	8.965784285	1.194873678	0.06467017	1	0	1	2	1.194873678	0.06467017	1	0	1	2	4	red	red
met109	36248	1	1339	2128	7.17	209.03067	-890	"Hit 1 : 7,8-Dihydro-6(9H)-(methylene)pyrrolo[1,2-a]indole-10-carbaldoxime"	C14H14N2O	 MF: 678	 RMF: 711	 Prob 69.5%		 Lib: w9n11	 ID: 256032.	"Hit 2 : 5H-dibanro[b,f]azepine-5-carboxamide N-oxide-O*(18)"	C15H15NO3	 MF: 645	 RMF: 687	 Prob 18.2%		 Lib: w9n11	 ID: 344383.	"Hit 3 : Cyclotrisiloxane, hexamethyl- (CAS)"	C6H18O3Si3	 MF: 614	 RMF: 626	 Prob 4.95%	 CAS: 541-05-9	 Lib: w9n11	 ID: 240836.	5770000	5750000	5810000	955915	5390000	5070000	5910000	5020000	5920000	5860000	5870000	5860000	5870000	22.46013989	22.45513053	22.47010673	19.86652281	22.36185384	22.27355432	22.4947267	22.25925593	22.49716575	22.48246923	22.48492907	22.48246923	22.48492907	22.46179238	21.50064366	22.41704946	1.044703254	0.280281129	0	0	0	0	1.001995933	0.280281129	0	0	0	0	0	black	black
met110	26524	1	860	2137	7.2	133.013824	-1066	"Hit 1 : 3-Amino-6,8-dimethoxy-1,2,3,4-tetrahydroquinoline"	C11H16N2O2	 MF: 661	 RMF: 769	 Prob 47.4%		 Lib: w9n11	 ID: 203224.	"Hit 2 : 5-Bromo-2,4-dimethylthiazole"	C5H6BrNS	 MF: 640	 RMF: 860	 Prob 20.1%		 Lib: w9n11	 ID: 156721.	"Hit 3 : 1,2,3,4-tetrahydro-1-(3'-aminobenzyl)-7-methoxy-N-methylisoquinolin-8-ol"	C18H22N2O2	 MF: 615	 RMF: 848	 Prob 6.14%	 CAS: 113756-80-2	 Lib: w9n11	 ID: 460358.	2430000	3430000	3500000	3880000	3830000	3670000	2600000	3520000	3660000	3550000	3570000	3550000	3610000	21.21252488	21.70977715	21.73892349	21.88762522	21.86891296	21.80734863	21.31008019	21.747144	21.80341222	21.75938759	21.76749264	21.75938759	21.78356741	21.55374184	21.85462894	21.62021214	0.98623234	0.077131038	0	0	1	1	0.996925548	0.077131038	0	0	1	1	2	black	black
met111	11003	1	12	2137	7.2	208.033737	106	Hit 1 : 2-(4-chlorophenyl)-1-cyclohexyl-2-piperidinoethanone	C19H26ClNO	 MF: 999	 RMF: 999	 Prob 14.6%	 CAS: 99365-55-6	 Lib: w9n11	 ID: 515728.	"Hit 2 : Methyl (2E,4Z) and (2E,4E)-4-methoxycarbonyl-5-(2-thiazolyl)-2,4-hexadienoate"	C12H13NO4S	 MF: 993	 RMF: 993	 Prob 11.5%		 Lib: w9n11	 ID: 372052.	Hit 3 : (E)-N-Cyclohexyl-1-(1-hydroxyphenylmethyl)-N-methyl-2-phenylethenysulfonamide	C22H27NO3S	 MF: 992	 RMF: 992	 Prob 11.0%		 Lib: w9n11	 ID: 652936.	6020000	6020000	5830000	6330000	6340000	6220000	5940000	3210000	5910000	6510000	3020000	5690000	5970000	22.52133206	22.52133206	22.47506445	22.59377407	22.59605141	22.56848315	22.5020315	21.61414187	22.4947267	22.63422611	21.52611712	22.43999722	22.5092995	22.50590952	22.58610288	22.20363336	0.996449438	0.06467017	0	0	1	1	1.013613815	0.06467017	0	0	1	1	2	black	black
met112	28945	1	23	2193	7.388	85.100487	-359	"Hit 1 : Hexane, 2,4-dimethyl-"	C8H18	 MF: 834	 RMF: 873	 Prob 17.8%	 CAS: 589-43-5	 Lib: w9n11	 ID: 20951.	"Hit 2 : Hexane, 2,4-dimethyl-"	C8H18	 MF: 834	 RMF: 873	 Prob 17.8%	 CAS: 589-43-5	 Lib: mainlib	 ID: 7646.	"Hit 3 : Oxalic acid, isohexyl pentyl ester"	C13H24O4	 MF: 822	 RMF: 849	 Prob 11.9%		 Lib: mainlib	 ID: 9796.	10857	41584	16951	26162	21767	19137	22093	32677	21292	10577	37126	13395	10193	13.40633789	15.34374092	14.04908277	14.67518521	14.40985496	14.22407706	14.43130171	14.99598792	14.37802385	13.36864287	15.18014227	13.70940696	13.31529111	14.26638719	14.43637241	14.60177116	0.988225212	0.662461304	0	0	0	0	0.977031282	0.662461304	0	0	0	0	0	black	black
met113	39585	1	33	2231	7.516	107.978821	-241	Hit 1 : trans-1-Chloro-2-methylthio-ethene	C3H5ClS	 MF: 714	 RMF: 937	 Prob 32.0%		 Lib: w9n11	 ID: 14748.	Hit 2 : trans-1-Chloro-2-methylthio-ethene	C3H5ClS	 MF: 714	 RMF: 937	 Prob 32.0%		 Lib: mainlib	 ID: 84690.	Hit 3 : 2-chlorovinylmethylsulphide	C3H5ClS	 MF: 713	 RMF: 861	 Prob 30.8%	 CAS: 87954-67-4	 Lib: w9n11	 ID: 14747.	36957	40478	29170	28495	44327	50171	72302	72959	59675	500	500	500	500	15.17356003	15.30485039	14.83219777	14.79842117	15.43589811	15.61456607	16.14174793	16.15479834	15.86483904	8.965784285	8.965784285	8.965784285	8.965784285	15.10353606	15.28296178	16.0537951	0.988259755	0.091448308	0	0	1	1	0.940807825	0.091448308	0	0	1	1	2	black	black
met114	28446	1	30	2248	7.573	81.033691	184	"Hit 1 : Thiophene, 2,4-dimethyl- (CAS)"	C6H8S	 MF: 932	 RMF: 932	 Prob 33.5%	 CAS: 638-00-6	 Lib: w9n11	 ID: 17753.	"Hit 2 : 3,4-Dimethylthiophene"	C6H8S	 MF: 932	 RMF: 932	 Prob 33.5%	 CAS: 632-15-5	 Lib: w9n11	 ID: 17768.	"Hit 3 : Thiophene, 2,3-dimethyl- (CAS)"	C6H8S	 MF: 918	 RMF: 918	 Prob 20.9%	 CAS: 632-16-6	 Lib: w9n11	 ID: 17748.	199917	205230	178351	97910	115790	138122	499992	435454	402579	87203	93802	91833	149741	17.60904163	17.64688211	17.44435978	16.5791686	16.82115114	17.0755836	18.93154549	18.7321608	18.61891239	16.41209015	16.51733106	16.48672506	17.19210977	17.56676117	16.82530111	18.76087289	1.04406816	0.06467017	0	0	1	1	0.936350951	0.06467017	0	0	1	1	2	black	black
met115	36829	1	14	2265	7.63	94.051804	-143	"Hit 1 : 2-Methyl-exo-7-(1,1-ethylenedioxyeth-1-yl)-2-azabicyclo[2.2.2]oct-5-ene"	C12H19NO2	 MF: 884	 RMF: 901	 Prob 49.3%	 CAS: 67938-80-1	 Lib: w9n11	 ID: 206859.	"Hit 2 : 3-Oxa-7-thiatricyclo[3.3.0.0(2,4)]octane 7,7-dioxide"	C6H8O3S	 MF: 864	 RMF: 927	 Prob 22.5%		 Lib: w9n11	 ID: 85744.	"Hit 3 : Pyrazine, methyl-"	C5H6N2	 MF: 825	 RMF: 917	 Prob 5.29%	 CAS: 109-08-0	 Lib: w9n11	 ID: 7561.	30908	29739	30112	21237	25823	22534	59423	56226	63419	26106	24579	28275	25085	14.91569268	14.86006852	14.87805091	14.37429236	14.656369	14.45981581	15.85873382	15.77894979	15.95262751	14.6720938	14.5851386	14.7872394	14.61453732	14.88460404	14.49682572	15.86343704	1.026749188	0.06467017	0	0	1	1	0.938296285	0.06467017	0	0	1	1	2	black	black
met116	28237	1	27	2299	7.744	95.011665	133	Hit 1 : Furfural	C5H4O2	 MF: 927	 RMF: 931	 Prob 54.4%	 CAS: 98-01-1	 Lib: replib	 ID: 14690.	Hit 2 : 2-Furancarboxaldehyde (CAS)	C5H4O2	 MF: 917	 RMF: 950	 Prob 54.4%	 CAS: 98-01-1	 Lib: w9n11	 ID: 8002.	Hit 3 : 2-Furancarboxaldehyde (CAS)	C5H4O2	 MF: 917	 RMF: 925	 Prob 54.4%	 CAS: 98-01-1	 Lib: w9n11	 ID: 7997.	4500000	4370000	4020000	1710000	1860000	1880000	4560000	4290000	4810000	8320000	8300000	8320000	8340000	22.10149357	22.05920185	21.93876407	20.70556489	20.82687119	20.84230123	22.12060239	22.03254622	22.19760546	22.9881521	22.98467991	22.9881521	22.99161595	22.03315316	20.79157911	22.11691802	1.059715236	0.06467017	0	0	1	1	0.996212634	0.06467017	0	0	1	1	2	black	black
met117	39666	1	39	2335	7.865	108.005844	316	Hit 1 : Methyl ethyl disulfide	C3H8S2	 MF: 929	 RMF: 981	 Prob 91.5%	 CAS: 20333-39-5	 Lib: w9n11	 ID: 14764.	Hit 2 : Methyl ethyl disulfide	C3H8S2	 MF: 877	 RMF: 935	 Prob 91.5%	 CAS: 20333-39-5	 Lib: w9n11	 ID: 14763.	Hit 3 : Methyl ethyl disulfide	C3H8S2	 MF: 876	 RMF: 935	 Prob 91.5%	 CAS: 20333-39-5	 Lib: replib	 ID: 11380.	241167	227478	199642	219900	252736	229068	291998	276111	220857	13770	18160	15538	17563	17.87967298	17.7953675	17.60705574	17.74648808	17.94727165	17.80541641	18.15559896	18.07488884	17.75275303	13.74924094	14.14847658	13.9235132	14.10025168	17.76069874	17.83305871	17.99441361	0.995942369	0.075365056	0	0	1	1	0.98701181	0.075365056	0	0	1	1	2	black	black
met118	62279	1	65	2351	7.918	292.976105	-138	"Hit 1 : (-)-TETRAHYDRO-3-OXO-2-PHENYL-7A H-THIAZOLO(2,3-B)OXAZOLE-5-CARBOXYLICACID ETHYL ESTER"	C14H15NO4S	 MF: 893	 RMF: 893	 Prob 27.3%	 CAS: 60664-16-6	 Lib: w9n11	 ID: 445293.	Hit 2 : N-2-(cis-Pent-3-enyl)-N-(3-methylthioprop-2-ynyl)-4-methylbenzenesulfonamide	C16H21NO2S2	 MF: 893	 RMF: 893	 Prob 27.3%		 Lib: w9n11	 ID: 524670.	"Hit 3 : 4-Chloromethyl-6-tricyanovinyl-1,2-dihydro-2,2-dimethylquinoline"	C17H13ClN4	 MF: 872	 RMF: 872	 Prob 11.6%		 Lib: w9n11	 ID: 486170.	158112	225953	181179	121765	151970	107850	251888	123777	98155	147928	140950	152337	95557	17.27058734	17.78566319	17.46705622	16.89373998	17.21342703	16.71866665	17.94242287	16.91738374	16.58277414	17.17453563	17.10482395	17.21690686	16.54407394	17.50776892	16.94194455	17.14752691	1.033397841	0.114432631	0	0	0	0	1.021008394	0.114432631	0	0	0	0	0	black	black
met119	58254	1	35	2377	8.005	225.059128	-143	"Hit 1 : (2-2H1)biphenyl-3,4-dicarboxylic anyhdride"	C14H7DO3	 MF: 887	 RMF: 975	 Prob 60.4%		 Lib: w9n11	 ID: 250236.	Hit 2 : bis[(Trimethylsilyl)oxy]-fluoro(methyl)silane	C7H21FO2Si3	 MF: 848	 RMF: 890	 Prob 14.2%		 Lib: w9n11	 ID: 293572.	Hit 3 : Acetylharmalan dimer	C28H28N4O2	 MF: 822	 RMF: 921	 Prob 4.26%	 CAS: 61828-59-9	 Lib: w9n11	 ID: 736342.	108219	101296	97765	68093	76543	94544	87904	93960	104247	126762	107242	100944	108661	16.72359429	16.62821768	16.57703045	16.05521888	16.22398283	16.52869828	16.4236412	16.51975909	16.66964634	16.9517628	16.7105105	16.62319564	16.7294747	16.64294747	16.2693	16.53768221	1.022966414	0.066607529	0	0	1	1	1.006365176	0.066607529	0	0	1	1	2	black	black
met120	2305	1	33	2392	8.056	55.054081	-816	"Hit 1 : 2,4-Dimethylhept-1-ene"	C9H18	 MF: 740	 RMF: 856	 Prob 20.2%		 Lib: mainlib	 ID: 8659.	"Hit 2 : 2,4-Dimethyl-1-heptene"	C9H18	 MF: 728	 RMF: 843	 Prob 13.4%	 CAS: 19549-87-2	 Lib: replib	 ID: 2571.	"Hit 3 : 2,4-Dimethyl-1-heptene"	C9H18	 MF: 728	 RMF: 843	 Prob 13.4%	 CAS: 19549-87-2	 Lib: w9n11	 ID: 32050.	54066	66351	72168	51776	56039	36753	43789	77327	62699	57236	59410	47891	47460	15.722434	16.01783059	16.13907165	15.65999589	15.77414359	15.1655744	15.41828088	16.23868462	15.93615481	15.80463523	15.85841817	15.54746694	15.53442448	15.95977875	15.53323796	15.86437344	1.027459876	0.077131038	0	0	1	1	1.006013809	0.077131038	0	0	1	1	2	black	black
met121	30111	1	17	2409	8.113	60.019577	354	"Hit 1 : Butanoic acid, 3-methyl- (CAS)"	C5H10O2	 MF: 917	 RMF: 925	 Prob 93.5%	 CAS: 503-74-2	 Lib: w9n11	 ID: 12030.	Hit 2 : iso-VALERIC ACID	C5H10O2	 MF: 886	 RMF: 886	 Prob 93.5%	 CAS: 503-74-2	 Lib: w9n11	 ID: 12298.	"Hit 3 : Butanoic acid, 3-methyl- (CAS)"	C5H10O2	 MF: 880	 RMF: 894	 Prob 93.5%	 CAS: 503-74-2	 Lib: w9n11	 ID: 12034.	500	580492	510412	574949	728332	500	500	500	500	671474	921540	860959	1180000	8.965784285	19.14691666	18.96130272	19.13307446	19.47423671	8.965784285	8.965784285	8.965784285	8.965784285	19.35697201	19.81368726	19.71558501	20.17035543	15.69133456	15.85769849	8.965784285	0.989508949	0.104399725	0	0	0	0	1.750135187	0.104399725	1	0	0	1	1	black	black
met122	63167	1	29	2454	8.264	292.975189	155	"Hit 1 : (-)-TETRAHYDRO-3-OXO-2-PHENYL-7A H-THIAZOLO(2,3-B)OXAZOLE-5-CARBOXYLICACID ETHYL ESTER"	C14H15NO4S	 MF: 909	 RMF: 909	 Prob 34.2%	 CAS: 60664-16-6	 Lib: w9n11	 ID: 445293.	Hit 2 : N-2-(cis-Pent-3-enyl)-N-(3-methylthioprop-2-ynyl)-4-methylbenzenesulfonamide	C16H21NO2S2	 MF: 909	 RMF: 909	 Prob 34.2%		 Lib: w9n11	 ID: 524670.	"Hit 3 : 4-Chloromethyl-6-tricyanovinyl-1,2-dihydro-2,2-dimethylquinoline"	C17H13ClN4	 MF: 843	 RMF: 843	 Prob 5.40%		 Lib: w9n11	 ID: 486170.	21913	29090	21851	18495	21463	22748	33430	26578	26289	34453	24080	24220	21331	14.41949939	14.82823568	14.41541168	14.17484768	14.38956412	14.47345209	15.02885573	14.69794493	14.68217164	15.07234199	14.55554777	14.56391124	14.38066398	14.55438225	14.34595463	14.80299077	1.014528669	0.245948028	0	0	0	0	0.983205521	0.245948028	0	0	0	0	0	black	black
met123	38508	1	25	2493	8.395	60.020218	-1149	Hit 1 : Allantoic acid	C4H8N4O4	 MF: 674	 RMF: 789	 Prob 16.7%	 CAS: 99-16-1	 Lib: mainlib	 ID: 15650.	Hit 2 : Allantoic acid	C4H8N4O4	 MF: 674	 RMF: 789	 Prob 16.7%	 CAS: 99-16-1	 Lib: w9n11	 ID: 120106.	"Hit 3 : Acetic acid, methoxy-, anhydride (CAS)"	C6H10O5	 MF: 661	 RMF: 777	 Prob 10.8%	 CAS: 19500-95-9	 Lib: w9n11	 ID: 89483.	57720	17561	25787	23380	28172	11981	500	59500	3090000	19117	42841	40463	53426	15.81678368	14.10008738	14.65435632	14.51298731	14.78197437	13.54846071	8.965784285	15.86060205	21.55917541	14.22256852	15.38670454	15.30431567	15.70525439	14.85707579	14.28114079	15.46185391	1.040328361	0.334972466	0	0	0	0	0.960885795	0.334972466	0	0	0	0	0	black	black
met124	36165	1	27	2513	8.462	87.043625	-464	"Hit 1 : (2RS,4R)-[5-c(13)]-leucine"	C6H13NO2	 MF: 793	 RMF: 987	 Prob 42.0%	 CAS: 112055-49-9	 Lib: w9n11	 ID: 37986.	"Hit 2 : (2RS,4S)-[5-c(13)]-leucine"	C6H13NO2	 MF: 780	 RMF: 970	 Prob 27.1%	 CAS: 112055-48-8	 Lib: w9n11	 ID: 37985.	"Hit 3 : 1,3-Dioxane"	C4H8O2	 MF: 754	 RMF: 930	 Prob 8.12%	 CAS: 505-22-6	 Lib: replib	 ID: 12636.	185519	84875	86533	88192	98255	79629	500	195942	892011	21047	139440	134514	165595	17.50120742	16.37305205	16.4009628	16.42836017	16.5842432	16.28100632	8.965784285	17.58006715	19.76670198	14.36132699	17.08928495	17.03739681	17.33729959	16.75840742	16.43120323	15.4375178	1.019913587	0.527443576	0	0	0	0	1.085563602	0.527443576	0	0	0	0	0	black	black
met125	39592	1	44	2528	8.512	107.978813	-1562	"Hit 1 : 1,2-Ethanediol, 1,2-di-2-furanyl-"	C10H10O4	 MF: 586	 RMF: 638	 Prob 9.00%	 CAS: 4464-77-1	 Lib: mainlib	 ID: 70275.	"Hit 2 : 1,2-Ethanediol, 1,2-di-2-furanyl-"	C10H10O4	 MF: 586	 RMF: 638	 Prob 9.00%	 CAS: 4464-77-1	 Lib: w9n11	 ID: 164596.	Hit 3 : chloromethyl 12-chlorododecanoate	C13H24Cl2O2	 MF: 584	 RMF: 640	 Prob 8.30%	 CAS: 80419-08-5	 Lib: w9n11	 ID: 414159.	30140	30647	24876	25466	32425	32140	73514	60554	66600	500	500	500	500	14.8793918	14.90345824	14.6024669	14.63628475	14.98481895	14.97208231	16.1657314	15.88593464	16.02323456	8.965784285	8.965784285	8.965784285	8.965784285	14.79510564	14.86439534	16.02496687	0.995338546	0.06467017	0	0	1	1	0.923253431	0.06467017	0	0	1	1	2	black	black
met126	28453	1	24	2540	8.552	54.010155	-1163	"Hit 1 : anti-2-Vinyl-1,3-butanediol"	C6H12O2	 MF: 640	 RMF: 992	 Prob 12.3%	 CAS: 143447-07-8	 Lib: w9n11	 ID: 22558.	Hit 2 : N-(Ethoxycarbonyl)-3-methylaziridine-2-sporo-3'-tetrahydrofuran-2'-one	C9H13NO4	 MF: 638	 RMF: 989	 Prob 11.4%		 Lib: w9n11	 ID: 178924.	Hit 3 : (R)-(-)-3-Octene-7-olide	C8H12O2	 MF: 637	 RMF: 987	 Prob 10.9%		 Lib: w9n11	 ID: 50538.	91233	87353	76813	77063	81516	84752	95100	94231	97096	78991	88969	86700	89515	16.47726814	16.41456963	16.22906288	16.23375073	16.31479564	16.37095979	16.53715772	16.52391413	16.56712424	16.26940067	16.44101512	16.40374437	16.44984183	16.37363355	16.30650205	16.54273203	1.004116854	0.06467017	0	0	1	1	0.98977808	0.06467017	0	0	1	1	2	black	black
met127	40322	1	33	2553	8.596	111.116096	-1048	"Hit 1 : Cyclohexane, 1,1,3-trimethyl- (CAS)"	C9H18	 MF: 676	 RMF: 864	 Prob 36.1%	 CAS: 3073-66-3	 Lib: w9n11	 ID: 32021.	"Hit 2 : 2-Pyrazoline, 1-isopropyl-5-methyl-"	C7H14N2	 MF: 647	 RMF: 883	 Prob 10.2%	 CAS: 26964-54-5	 Lib: w9n11	 ID: 31192.	"Hit 3 : 2-Pyrazoline, 1-isopropyl-5-methyl-"	C7H14N2	 MF: 647	 RMF: 883	 Prob 10.2%	 CAS: 26964-54-5	 Lib: mainlib	 ID: 88130.	26612	21745	37358	24253	27048	28757	31942	34793	50095	33892	33516	26412	24790	14.69978932	14.40839609	15.1891296	14.56587559	14.7232343	14.81162556	14.96316703	15.08650946	15.61237899	15.04865715	15.03256236	14.68890593	14.59747065	14.76577167	14.70024515	15.22068516	1.004457512	0.070715784	0	0	1	1	0.970112154	0.070715784	0	0	1	1	2	black	black
met128	36517	1	42	2614	8.801	91.053833	113	"Hit 1 : Benzene, ethyl- (CAS)"	C8H10	 MF: 931	 RMF: 985	 Prob 41.3%	 CAS: 100-41-4	 Lib: w9n11	 ID: 14309.	"Hit 2 : 7-methyl-tetracyclo[4.1.0.0(2,4).0(3,5)]heptane"	C8H10	 MF: 919	 RMF: 971	 Prob 27.5%	 CAS: 77481-22-2	 Lib: w9n11	 ID: 14378.	"Hit 3 : Benzene, ethyl- (CAS)"	C8H10	 MF: 905	 RMF: 918	 Prob 41.3%	 CAS: 100-41-4	 Lib: w9n11	 ID: 14301.	306920	283266	331722	285125	293630	238018	343389	351094	490210	269493	299463	258409	256174	18.22750313	18.11179792	18.33961517	18.12123502	18.16363985	17.86071116	18.3894843	18.42149782	18.90304039	18.03988827	18.19201824	17.97929679	17.96676453	18.22630541	18.04852867	18.57134083	1.00984993	0.07436095	0	0	1	1	0.981421082	0.07436095	0	0	1	1	2	black	black
met129	56825	1	59	2629	8.851	211.007217	-315	"Hit 1 : 3,4,4-Trimethyl-4H-thieno[3,2-c][1]benzopyran"	C14H14OS	 MF: 815	 RMF: 815	 Prob 47.9%		 Lib: w9n11	 ID: 266809.	"Hit 2 : 3-(3'-Methoxy-3'-methylbut-1'-ynyl)-1,2,4,5-tetramethylbenzene"	C16H22O	 MF: 776	 RMF: 779	 Prob 11.3%		 Lib: w9n11	 ID: 267730.	"Hit 3 : 1-Hydroxy-4a-methyl-2,3,4,4a-tetrahydroxanthene-9-one"	C14H14O3	 MF: 775	 RMF: 779	 Prob 10.9%		 Lib: w9n11	 ID: 266990.	205018	247974	98276	115740	174154	100875	134673	123892	125246	94923	153004	167924	142865	17.64539105	17.91982934	16.58455152	16.82052802	17.41000408	16.62220915	17.03910111	16.91872351	16.934405	16.53447008	17.22320984	17.35744891	17.12429299	17.3832573	16.95091375	16.96407654	1.025505619	0.06467017	0	0	1	1	1.024709907	0.06467017	0	0	1	1	2	black	black
met130	29114	1	27	2669	8.985	57.069508	-371	"Hit 1 : Hexane, 3-methyl- (CAS)"	C7H16	 MF: 816	 RMF: 876	 Prob 34.8%	 CAS: 589-34-4	 Lib: w9n11	 ID: 11319.	Hit 2 : Heptane (CAS)	C7H16	 MF: 811	 RMF: 870	 Prob 28.0%	 CAS: 142-82-5	 Lib: w9n11	 ID: 11294.	"Hit 3 : 5-hydroxy-5-dideutero-1,2-pentadiene"	C5H6D2O	 MF: 785	 RMF: 855	 Prob 8.39%		 Lib: w9n11	 ID: 4327.	26388	29074	31254	24893	27361	26867	39406	34603	54700	27375	28513	21763	23076	14.68759439	14.82744195	14.93175322	14.60345249	14.73983334	14.71354762	15.26612769	15.0786095	15.73925321	14.74057134	14.79933222	14.40958982	14.49410555	14.81559652	14.68561115	15.36133014	1.008851206	0.075868458	0	0	1	1	0.964473544	0.075868458	0	0	1	1	2	black	black
met131	63222	1	28	2681	9.025	62.017807	-117	"Hit 1 : (-)-TETRAHYDRO-3-OXO-2-PHENYL-7A H-THIAZOLO(2,3-B)OXAZOLE-5-CARBOXYLICACID ETHYL ESTER"	C14H15NO4S	 MF: 892	 RMF: 892	 Prob 34.1%	 CAS: 60664-16-6	 Lib: w9n11	 ID: 445293.	Hit 2 : N-2-(cis-Pent-3-enyl)-N-(3-methylthioprop-2-ynyl)-4-methylbenzenesulfonamide	C16H21NO2S2	 MF: 890	 RMF: 890	 Prob 31.5%		 Lib: w9n11	 ID: 524670.	"Hit 3 : 4-Chloromethyl-6-tricyanovinyl-1,2-dihydro-2,2-dimethylquinoline"	C17H13ClN4	 MF: 856	 RMF: 856	 Prob 8.07%		 Lib: w9n11	 ID: 486170.	107252	500	500	91209	95229	71100	93103	88135	500	500	500	500	500	16.71064503	8.965784285	8.965784285	16.47688857	16.53911336	16.11756194	16.50654004	16.42742743	8.965784285	8.965784285	8.965784285	8.965784285	8.965784285	11.54740453	16.37785462	13.96658392	0.705062097	0.311078669	0	1	0	1	0.826788039	0.311078669	0	1	0	1	2	black	black
met132	63168	1	31	2710	9.123	81.067436	167	"Hit 1 : (-)-TETRAHYDRO-3-OXO-2-PHENYL-7A H-THIAZOLO(2,3-B)OXAZOLE-5-CARBOXYLICACID ETHYL ESTER"	C14H15NO4S	 MF: 915	 RMF: 915	 Prob 41.5%	 CAS: 60664-16-6	 Lib: w9n11	 ID: 445293.	Hit 2 : N-2-(cis-Pent-3-enyl)-N-(3-methylthioprop-2-ynyl)-4-methylbenzenesulfonamide	C16H21NO2S2	 MF: 900	 RMF: 900	 Prob 25.1%		 Lib: w9n11	 ID: 524670.	"Hit 3 : Dimethyl exo-8-cyano-3-hydroxy-4,4-dimethyl-cis-bicyclo[3.3.0]oct-2-ene-1,2-dicarboxylate"	C15H19NO5	 MF: 838	 RMF: 838	 Prob 4.29%	 CAS: 76679-89-5	 Lib: w9n11	 ID: 445531.	15619	12332	17109	11021	15108	13859	17997	18326	21202	13394	14233	13581	14176	13.93101447	13.59011917	14.06246782	13.42796751	13.88302507	13.75853554	14.13546882	14.1616043	14.37191274	13.70929925	13.79695216	13.72930209	13.79116289	13.86120049	13.68984271	14.22299529	1.012517147	0.07436095	0	0	1	1	0.974562686	0.07436095	0	0	1	1	2	black	black
met133	36449	1	60	2716	9.143	91.053688	-168	Hit 1 : XYLENE	C8H10	 MF: 888	 RMF: 924	 Prob 22.2%	 CAS: 1330-20-7	 Lib: w9n11	 ID: 14329.	"Hit 2 : Benzene, 1,3-dimethyl-"	C8H10	 MF: 882	 RMF: 905	 Prob 17.4%	 CAS: 108-38-3	 Lib: replib	 ID: 13340.	"Hit 3 : Benzene, 1,3-dimethyl-"	C8H10	 MF: 882	 RMF: 905	 Prob 17.4%	 CAS: 108-38-3	 Lib: w9n11	 ID: 14339.	531324	439849	525817	442514	469663	374988	581306	538142	708615	390869	458584	462739	427697	19.01923236	18.74664881	19.00420126	18.75536357	18.84126642	18.5164849	19.14893827	19.03762738	19.43464248	18.57632564	18.80682649	18.81983917	18.70622956	18.92336081	18.70437163	19.20706938	1.011707914	0.072585618	0	0	1	1	0.985228951	0.072585618	0	0	1	1	2	black	black
met134	36519	1	34	2732	9.197	91.053955	-224	"Hit 1 : bicyclo[3.3.0]oct-2-ene-4?,6?-carbolactone"	C9H10O2	 MF: 867	 RMF: 936	 Prob 33.2%	 CAS: 127268-74-0	 Lib: w9n11	 ID: 66317.	"Hit 2 : Benzene, 1,3-dimethyl- (CAS)"	C8H10	 MF: 849	 RMF: 909	 Prob 17.1%	 CAS: 108-38-3	 Lib: w9n11	 ID: 14343.	"Hit 3 : 5-methyl-5-vinyl-1,3-cyclopentadiene"	C8H10	 MF: 844	 RMF: 879	 Prob 13.8%	 CAS: 118161-02-7	 Lib: w9n11	 ID: 14380.	199890	179620	191315	176310	177398	157257	220943	213590	277418	171641	180176	169233	168038	17.60884677	17.45458847	17.54559047	17.42775478	17.43663022	17.26276471	17.7533147	17.70448458	18.08170187	17.38903469	17.45904733	17.36865139	17.35842799	17.5363419	17.37571657	17.84650038	1.009244242	0.07436095	0	0	1	1	0.982620768	0.07436095	0	0	1	1	2	black	black
met135	63170	1	32	2762	9.297	292.975433	165	Hit 1 : N-2-(cis-Pent-3-enyl)-N-(3-methylthioprop-2-ynyl)-4-methylbenzenesulfonamide	C16H21NO2S2	 MF: 907	 RMF: 907	 Prob 33.2%		 Lib: w9n11	 ID: 524670.	"Hit 2 : (-)-TETRAHYDRO-3-OXO-2-PHENYL-7A H-THIAZOLO(2,3-B)OXAZOLE-5-CARBOXYLICACID ETHYL ESTER"	C14H15NO4S	 MF: 906	 RMF: 906	 Prob 31.9%	 CAS: 60664-16-6	 Lib: w9n11	 ID: 445293.	"Hit 3 : Dimethyl exo-8-cyano-3-hydroxy-4,4-dimethyl-cis-bicyclo[3.3.0]oct-2-ene-1,2-dicarboxylate"	C15H19NO5	 MF: 833	 RMF: 833	 Prob 4.34%	 CAS: 76679-89-5	 Lib: w9n11	 ID: 445531.	35131	30334	19272	29779	34491	34958	26891	35693	34272	26472	31505	32611	39631	15.10045702	14.88864813	14.23421868	14.86200769	15.07393234	15.09333503	14.71483579	15.12335354	15.06474276	14.69217958	14.94329319	14.99307106	15.27434175	14.74110794	15.00975835	14.96764403	0.982101617	0.06467017	0	0	1	1	0.984864947	0.06467017	0	0	1	1	2	black	black
met136	38468	1	24	2792	9.398	102.045715	-197	Hit 1 : 18O-tetrahydropyran-2-ol	C5H8O2	 MF: 874	 RMF: 986	 Prob 13.0%		 Lib: w9n11	 ID: 10563.	"Hit 2 : 5,10-dithiadispiro[3.1.3.1]decane-5,5,10,10-tetraoxide"	C8H12O4S2	 MF: 871	 RMF: 984	 Prob 11.5%		 Lib: w9n11	 ID: 281270.	Hit 3 : methyl-3-acetoxy-2-hydroxy-2-hydroxymethylenebutanoate	C8H14O6	 MF: 868	 RMF: 980	 Prob 10.2%	 CAS: 106060-26-8	 Lib: w9n11	 ID: 196371.	61013	57258	47337	51253	59847	56490	54149	61922	56679	47805	63674	51369	71541	15.89682905	15.80518966	15.53068066	15.64534883	15.86899131	15.78570788	15.72464707	15.91816445	15.79052668	15.5448739	15.95841678	15.64861037	16.12648266	15.74423312	15.76668267	15.81111274	0.99857614	0.065556031	0	0	1	1	0.995770088	0.065556031	0	0	1	1	2	black	black
met137	38016	1	21	2798	9.418	57.069706	-201	"Hit 1 : Heptane, 4-(1-methylethyl)- (CAS)"	C10H22	 MF: 821	 RMF: 892	 Prob 54.4%	 CAS: 52896-87-4	 Lib: w9n11	 ID: 54910.	"Hit 2 : 1-Hexanol, 2,2-dimethyl-"	C8H18O	 MF: 769	 RMF: 812	 Prob 10.9%	 CAS: 2370-13-0	 Lib: replib	 ID: 5870.	"Hit 3 : 1-Hexanol, 2,2-dimethyl-"	C8H18O	 MF: 769	 RMF: 812	 Prob 10.9%	 CAS: 2370-13-0	 Lib: w9n11	 ID: 37390.	101260	80177	133842	95483	105452	100815	108534	118664	173118	133908	132431	100055	90754	16.62770486	16.29090082	17.03017138	16.54295628	16.68622693	16.62135078	16.72778754	16.85652279	17.40139621	17.03088263	17.01488135	16.61043374	16.46967361	16.64959235	16.61684466	16.99523551	1.001970753	0.070715784	0	0	1	1	0.97966235	0.070715784	0	0	1	1	2	black	black
met138	30052	1	29	2808	9.452	60.020329	-937	Hit 1 : Hexanoic acid (CAS)	C6H12O2	 MF: 651	 RMF: 889	 Prob 54.6%	 CAS: 142-62-1	 Lib: w9n11	 ID: 22041.	Hit 2 : Hexanoic acid (CAS)	C6H12O2	 MF: 629	 RMF: 784	 Prob 54.6%	 CAS: 142-62-1	 Lib: w9n11	 ID: 22032.	Hit 3 : Hexanoic acid (CAS)	C6H12O2	 MF: 627	 RMF: 784	 Prob 54.6%	 CAS: 142-62-1	 Lib: w9n11	 ID: 22030.	67019	60371	37649	35750	128230	43341	62747	44899	500	16839	41671	49171	36154	16.03228254	15.88156808	15.20032393	15.12565562	16.9683743	15.40344482	15.93725886	15.45439569	8.965784285	14.03951884	15.3467561	15.58552008	15.14186765	15.70472485	15.83249158	13.45247961	0.991930093	0.223151708	0	0	0	0	1.167422312	0.223151708	1	0	0	1	1	black	black
met139	43556	1	19	2844	9.572	126.139488	-1066	Hit 1 : 4-hydroxy-5-methoxypyrimidine	C5H6N2O2	 MF: 662	 RMF: 776	 Prob 22.4%	 CAS: 695-87-4	 Lib: w9n11	 ID: 30420.	"Hit 2 : (+-)-(3aSR,4SR,6RS,6aRS)-4-Ethyl-6-Methoxy-3-methylenehexahydrofura[3,4-b]furan-2(3H)-one"	C10H16O3	 MF: 661	 RMF: 748	 Prob 21.6%		 Lib: w9n11	 ID: 140941.	"Hit 3 : 2,2-DIBROMO-4-DI-N-PROPYLCYCLOBUTANONE"	C10H16Br2O	 MF: 649	 RMF: 846	 Prob 14.4%	 CAS: 63049-16-1	 Lib: w9n11	 ID: 490099.	12310	10185	16182	10718	11465	12952	15171	16102	21640	14261	13639	10867	11631	13.58754314	13.31415836	13.98210231	13.3877481	13.48494873	13.66088727	13.88902856	13.97495227	14.40141288	13.79978753	13.73545025	13.4076661	13.50568752	13.6279346	13.5111947	14.08846457	1.008640235	0.070715784	0	0	1	1	0.967311557	0.070715784	0	0	1	1	2	black	black
met140	4466	1	11	2852	9.599	83.036575	-503	Hit 1 : Methyl 3-Hydroxy-2-methylenepentanoate	C7H12O3	 MF: 827	 RMF: 999	 Prob 4.86%		 Lib: w9n11	 ID: 56730.	"Hit 2 : 5,5-Dimethyl-2-oxo-3-(1',12-dimethylprop-2'-enyl0-3,4,5,6-tetrahydro-2H-pyran-3-carbonitrile"	C14H21NO2	 MF: 827	 RMF: 999	 Prob 4.86%		 Lib: w9n11	 ID: 280496.	Hit 3 : ZINAFLORINE IV	C20H24O7	 MF: 827	 RMF: 999	 Prob 4.86%		 Lib: w9n11	 ID: 637576.	63187	47915	36720	30337	26180	22385	46749	39812	43730	21371	29227	19842	29170	15.94734015	15.54818975	15.16427844	14.88879081	14.67617748	14.4502447	15.51264788	15.28091573	15.41633573	14.3833668	14.83501413	14.27626983	14.83219777	15.55326945	14.67173766	15.40329978	1.060083666	0.06467017	0	0	1	1	1.009736204	0.06467017	0	0	1	1	2	black	black
met141	29205	1	35	2906	9.78	96.020096	-454	Hit 1 : 4-(Trifluoroacetoxy)-5-methyl-2-cyclopenten-1-one	C8H7F3O3	 MF: 643	 RMF: 794	 Prob 54.7%		 Lib: w9n11	 ID: 202068.	"Hit 2 : 3-AMINO-1,2,4-TRIAZINE"	C3H4N4	 MF: 558	 RMF: 965	 Prob 4.92%	 CAS: 1120-99-6	 Lib: w9n11	 ID: 7941.	Hit 3 : 4-Acetoxymethylfuran-2(5H)-one	C7H8O4	 MF: 556	 RMF: 855	 Prob 4.53%		 Lib: w9n11	 ID: 78753.	34703	38568	34269	30911	32591	34699	34301	33119	30318	30077	30527	38647	40453	15.08277277	15.23511671	15.06461647	14.91583271	14.992186	15.08260647	15.06596302	15.01537149	14.88788697	14.87637305	14.8977982	15.23806881	15.30395908	15.12750198	14.99687506	14.98974049	1.008710276	0.06467017	0	0	1	1	1.009190385	0.06467017	0	0	1	1	2	black	black
met142	39667	1	42	2950	9.928	61.010403	333	"Hit 1 : 2,4-Dithiapentane"	C3H8S2	 MF: 872	 RMF: 940	 Prob 69.6%	 CAS: 1618-26-4	 Lib: replib	 ID: 7690.	"Hit 2 : 2,4-Dithiapentane"	C3H8S2	 MF: 872	 RMF: 940	 Prob 69.6%	 CAS: 1618-26-4	 Lib: w9n11	 ID: 14771.	Hit 3 : 3-Thiabutane-1-thiol	C3H8S2	 MF: 851	 RMF: 949	 Prob 29.6%		 Lib: w9n11	 ID: 14776.	519923	186589	198072	147146	620584	268907	240831	354851	153477	500	1559	11499	5096	18.98793845	17.50950441	17.59566543	17.1668888	19.24326698	18.03674779	17.87766158	18.43685385	17.22766294	8.965784285	10.60640521	13.48922078	12.31514956	18.0310361	18.14896785	17.84739279	0.993502013	0.436463761	0	0	0	0	1.010289643	0.436463761	0	0	0	0	0	black	black
met143	6539	1	36	2954	9.941	58.041084	-259	Hit 1 : 2-Heptanone (CAS)	C7H14O	 MF: 813	 RMF: 842	 Prob 57.5%	 CAS: 110-43-0	 Lib: w9n11	 ID: 20355.	Hit 2 : 2-Heptanone (CAS)	C7H14O	 MF: 805	 RMF: 815	 Prob 57.5%	 CAS: 110-43-0	 Lib: w9n11	 ID: 20354.	Hit 3 : 2-Heptanone	C7H14O	 MF: 796	 RMF: 799	 Prob 57.5%	 CAS: 110-43-0	 Lib: replib	 ID: 2406.	83887	78181	69393	55762	64139	45755	100053	69033	90930	37078	37205	37730	51710	16.35615963	16.25453042	16.08250252	15.76699469	15.96891424	15.48164179	16.6104049	16.07499856	16.47246873	15.17827581	15.1832089	15.20342448	15.65815568	16.23106419	15.73918357	16.3859574	1.031251978	0.06467017	0	0	1	1	0.990547198	0.06467017	0	0	1	1	2	black	black
met8	28176	0.885931	65	2967	9.985	104.061142	-464	Hit 1 : Styrene	C8H8	 MF: 793	 RMF: 913	 Prob 40.6%	 CAS: 100-42-5	 Lib: w9n11	 ID: 13737.	Hit 2 : Styrene	C8H8	 MF: 792	 RMF: 912	 Prob 40.6%	 CAS: 100-42-5	 Lib: w9n11	 ID: 13738.	Hit 3 : Styrene	C8H8	 MF: 789	 RMF: 927	 Prob 40.6%	 CAS: 100-42-5	 Lib: replib	 ID: 15734.	460123	481571	554229	363518	464182	430050	581912	731742	719148	318536	387446	366572	372852	18.81166005	18.87738899	19.08012268	18.47166728	18.82433105	18.71414488	19.15044147	19.48097554	19.45592918	18.28109691	18.56363572	18.48373707	18.50824355	18.92305724	18.67004774	19.36244873	1.013551626	0.119478036	0	0	0	0	0.977307029	0.119478036	0	0	0	0	0	black	black
met144	36561	1	86	2976	10.015	91.053825	-1424	"Hit 1 : 4-PENTENE, 1-DEUTERO-3,3-DIMETHYL-1-PHENYLC13H17D?"	MF: 583	 RMF: 615	 Prob 29.4%	 CAS: 68702-34-1		 Lib: w9n11	 ID: 118776.	Hit 2 : 4-Amino-furazan-3-carboxylic acid benzylamide	C10H10N4O2	 MF: 558	 RMF: 604	 Prob 8.98%		 Lib: mainlib	 ID: 61077.	Hit 3 : 4-Amino-furazan-3-carboxylic acid benzylamide	C10H10N4O2	 MF: 558	 RMF: 604	 Prob 8.98%		 Lib: w9n11	 ID: 229650.	247559	238114	258772	224151	227229	202841	289564	277596	386620	223879	239275	212712	217489	17.91741287	17.86129292	17.981322	17.77411141	17.79378744	17.62998977	18.14352273	18.08262725	18.56055675	17.77235968	17.86831014	17.6985419	17.73058291	17.92000926	17.73262954	18.26223557	1.010566945	0.072585618	0	0	1	1	0.981260437	0.072585618	0	0	1	1	2	black	black
met145	62155	1	115	2981	10.032	289.000122	189	Hit 1 : 3-Iodo-5-(5-methyl-2-thienyl)pyrrole	C9H8INS	 MF: 948	 RMF: 948	 Prob 48.7%		 Lib: w9n11	 ID: 433978.	Hit 2 : 4-(Trimethylsilyl)thianthrene 5-oxide	C15H16OS2Si	 MF: 940	 RMF: 940	 Prob 36.4%		 Lib: w9n11	 ID: 475429.	"Hit 3 : 3-O-Acetyl-5,6-O,S-carbonyl-1,2-isopropylidene-5(S)-thio-?L-idofuranose"	C12H16O7S	 MF: 879	 RMF: 879	 Prob 6.33%		 Lib: w9n11	 ID: 474645.	762198	849245	640539	331308	801707	417328	743093	548416	466033	481890	494951	457257	434530	19.5398063	19.69582129	19.28892689	18.33781351	19.61271555	18.67082219	19.50318325	19.06491114	18.83007259	18.87834434	18.91692618	18.80264573	18.72909626	19.50818483	18.87378375	19.13272233	1.033612819	0.067765474	0	0	1	1	1.019624102	0.067765474	0	0	1	1	2	black	black
met146	65337	1	88	3039	10.227	133.012527	-167	"Hit 1 : Oxime-, methoxy-phenyl-_"	C8H9NO2	 MF: 771	 RMF: 815	 Prob 35.8%		 Lib: mainlib	 ID: 117767.	"Hit 2 : Oxime-, methoxy-phenyl-_"	C8H9NO2	 MF: 771	 RMF: 815	 Prob 35.8%		 Lib: w9n11	 ID: 68229.	"Hit 3 : 6-Methylhexahydrocycloprop[a]pentalen-3a,6-diol"	C10H16O2	 MF: 665	 RMF: 827	 Prob 2.40%		 Lib: w9n11	 ID: 104633.	1990000	1470000	603869	746573	1470000	810137	488524	963230	875395	446309	1070000	877626	1240000	20.924337	20.48738472	19.20387609	19.50992381	20.48738472	19.62780637	18.89806991	19.8775208	19.73957462	18.76768337	20.02917937	19.74324674	20.24190869	20.20519927	19.8750383	19.50505511	1.016611841	0.108635559	0	0	0	0	1.035895523	0.108635559	0	0	0	0	0	black	black
met147	32139	1	55	3084	10.378	57.069603	-371	"Hit 1 : Heptane, 4-ethyl- (CAS)"	C9H20	 MF: 813	 RMF: 891	 Prob 26.8%	 CAS: 2216-32-2	 Lib: w9n11	 ID: 34758.	"Hit 2 : Decane, 2,5,6-trimethyl-"	C13H28	 MF: 790	 RMF: 855	 Prob 9.78%	 CAS: 62108-23-0	 Lib: mainlib	 ID: 24137.	"Hit 3 : Decane, 2,5,6-trimethyl-"	C13H28	 MF: 790	 RMF: 855	 Prob 9.78%	 CAS: 62108-23-0	 Lib: w9n11	 ID: 142712.	269568	236468	310383	181509	241736	311621	480228	428343	622214	235995	224167	181755	230980	18.04028972	17.85128544	18.24369002	17.46968156	17.88307281	18.24943293	18.87336	18.70840699	19.24705133	17.84839677	17.77421439	17.47163553	17.81740841	18.04508839	17.86739577	18.94293944	1.009945077	0.06467017	0	0	1	1	0.952602338	0.06467017	0	0	1	1	2	black	black
met148	30867	1	54	3106	10.451	55.054192	-194	Hit 1 : Heptanal	C7H14O	 MF: 818	 RMF: 827	 Prob 62.6%	 CAS: 111-71-7	 Lib: w9n11	 ID: 20306.	Hit 2 : N HEPTANAL	C7H14O	 MF: 818	 RMF: 827	 Prob 62.6%	 CAS: 111-71-7	 Lib: w9n11	 ID: 20710.	Hit 3 : Heptanal	C7H14O	 MF: 818	 RMF: 827	 Prob 62.6%	 CAS: 111-71-7	 Lib: mainlib	 ID: 37042.	214018	208733	177993	133922	164481	163396	195131	173100	188488	107529	157962	138498	166306	17.70737261	17.67129918	17.44146098	17.03103345	17.32756142	17.31801314	17.57408347	17.4012462	17.52411315	16.71436627	17.26921801	17.07950562	17.34348069	17.60671092	17.225536	17.49981427	1.02212848	0.06467017	0	0	1	1	1.006108445	0.06467017	0	0	1	1	2	black	black
met149	35531	1	32	3140	10.565	85.008957	-671	Hit 1 : 2-methyldihydrothiophene	C5H8S	 MF: 649	 RMF: 890	 Prob 54.3%		 Lib: w9n11	 ID: 10578.	"Hit 2 : 4,5-Dihydro-1H,3H-thieno[3,4-c]furan"	C6H8OS	 MF: 593	 RMF: 701	 Prob 10.4%		 Lib: w9n11	 ID: 33222.	Hit 3 : 3-Methylenetetrahydrothiophene	C5H8S	 MF: 571	 RMF: 808	 Prob 4.09%		 Lib: w9n11	 ID: 10583.	31734	31435	30548	16814	11229	22422	43484	23605	34894	500	500	500	500	14.95374176	14.94008414	14.89879031	14.03737536	13.45494183	14.45262735	15.40819704	14.52680486	15.09069137	8.965784285	8.965784285	8.965784285	8.965784285	14.93087207	13.98164818	15.00856442	1.067890701	0.06467017	0	0	1	1	0.994823466	0.06467017	0	0	1	1	2	black	black
met150	37058	1	42	3179	10.696	95.012459	-301	"Hit 1 : Ethanone, 1-(2-furanyl)- (CAS)"	C6H6O2	 MF: 844	 RMF: 941	 Prob 30.4%	 CAS: 1192-62-7	 Lib: w9n11	 ID: 16032.	"Hit 2 : 3,3,5,5-tetramethylcyclopentenone"	C9H14O	 MF: 837	 RMF: 909	 Prob 23.3%	 CAS: 81396-36-3	 Lib: w9n11	 ID: 47690.	"Hit 3 : Furan, 2-ethyl-5-methyl-"	C7H10O	 MF: 810	 RMF: 875	 Prob 6.85%	 CAS: 1703-52-2	 Lib: replib	 ID: 14588.	413326	441720	383634	246721	269324	276172	855876	748464	931017	349620	346507	347037	374582	18.65692059	18.75277263	18.54937106	17.91252099	18.03898327	18.07520753	19.70704227	19.5135734	19.82844799	18.41542819	18.40252497	18.40472996	18.51492205	18.65302143	18.00890393	19.68302122	1.035766613	0.06467017	0	0	1	1	0.947670646	0.06467017	0	0	1	1	2	black	black
met151	63026	1	23	3220	10.834	289.00061	248	Hit 1 : 3-Iodo-5-(5-methyl-2-thienyl)pyrrole	C9H8INS	 MF: 952	 RMF: 952	 Prob 42.6%		 Lib: w9n11	 ID: 433978.	Hit 2 : 4-(Trimethylsilyl)thianthrene 5-oxide	C15H16OS2Si	 MF: 936	 RMF: 936	 Prob 24.6%		 Lib: w9n11	 ID: 475429.	"Hit 3 : 3-O-Acetyl-5,6-O,S-carbonyl-1,2-isopropylidene-5(S)-thio-?L-idofuranose"	C12H16O7S	 MF: 920	 RMF: 920	 Prob 14.1%		 Lib: w9n11	 ID: 474645.	49580	48093	42069	27365	34017	30845	30786	42239	38403	27175	44006	43636	41521	15.59747065	15.5535393	15.3604699	14.74004424	15.05396829	14.91274903	14.90998681	15.36628806	15.2289314	14.72999241	15.42541262	15.41323124	15.34155357	15.50382662	14.90225385	15.16840209	1.040367905	0.067765474	0	0	1	1	1.022113373	0.067765474	0	0	1	1	2	black	black
met152	56873	1	29	3247	10.924	211.007034	-399	"Hit 1 : 3,6,6-Trimethyl-2-thioxo-2,3,6,7-tetrahydro-1,3-benzoxazol-4(5)-one"	C10H13NO2S	 MF: 765	 RMF: 904	 Prob 50.6%		 Lib: w9n11	 ID: 211839.	Hit 2 : 1-Phenyl-3-cyano-2(1H)-pyridinethione	C12H8N2S	 MF: 722	 RMF: 801	 Prob 11.2%	 CAS: 91540-44-2	 Lib: w9n11	 ID: 214843.	"Hit 3 : Thiazolo[5,4-f]quinoline-2-carbonitrile"	C11H5N3S	 MF: 703	 RMF: 855	 Prob 5.42%		 Lib: w9n11	 ID: 212028.	47647	53276	29715	25798	46269	37294	32531	32887	40655	51784	58255	68683	57567	15.54009776	15.70119815	14.85890376	14.6549716	15.4977583	15.18665592	14.98952755	15.00522979	15.31114517	15.66021879	15.83009426	16.06766544	15.81295441	15.36673322	15.11312861	15.1019675	1.016780418	0.06467017	0	0	1	1	1.017531869	0.06467017	0	0	1	1	2	black	black
met153	39674	1	35	3248	10.928	108.067734	-151	"Hit 1 : 2,3,4,5,6,7,9,10-octamethyl-syn-tricyclo[4.2.2.0(2,5)]deca-3,7,9-triene-1,8-dicarboxyanhydryde"	C20H24O3	 MF: 900	 RMF: 999	 Prob 8.84%	 CAS: 118920-94-8	 Lib: w9n11	 ID: 498124.	"Hit 2 : D-Friedo-urs-14-en-11?,12?-epoxy-3?-yl palmitate"	C46H78O3	 MF: 889	 RMF: 987	 Prob 6.06%		 Lib: w9n11	 ID: 809407.	"Hit 3 : dimethyl 1,2,3,4,5,6,9,10-octamethyl-syn-tricyclo[4.2.2.0(2,5)]deca-3,7,9-triene-7,8-dicarboxylate"	C22H30O4	 MF: 888	 RMF: 986	 Prob 5.83%	 CAS: 119008-50-3	 Lib: w9n11	 ID: 604302.	171424	160302	147018	114385	134148	126789	325948	281929	373492	118002	130622	131779	134309	17.38720958	17.2904329	17.16563328	16.80353835	17.03346602	16.95207006	18.3142823	18.10497236	18.51071782	16.84845179	16.99503838	17.00776096	17.03519646	17.28109192	16.92969148	18.30999082	1.020756459	0.06467017	0	0	1	1	0.943806695	0.06467017	0	0	1	1	2	black	black
met154	36807	1	27	3259	10.965	78.985794	-315	Hit 1 : 2-Cyclopentene-1-ethanol acetate	C9H14O2	 MF: 811	 RMF: 984	 Prob 24.5%		 Lib: w9n11	 ID: 75365.	Hit 2 : Methanesulphinic acid methyl ester	C2H6O2S	 MF: 790	 RMF: 951	 Prob 10.4%		 Lib: w9n11	 ID: 7445.	"Hit 3 : meso-3,4-Di(hydroxymethyl)hexa-1,5-diene"	C8H14O2	 MF: 789	 RMF: 978	 Prob 10.0%		 Lib: w9n11	 ID: 54144.	85744	72404	57017	97697	92746	104194	108280	6229	98703	19595	36854	54951	47417	16.3877481	16.14378178	15.79910451	16.57602664	16.50099744	16.66891268	16.72440727	12.60478486	16.59080631	14.25819795	15.16953359	15.74585812	15.53311677	16.11021146	16.58197892	15.30666615	0.971549388	0.080865324	0	0	1	1	1.052496429	0.080865324	0	0	1	1	2	black	black
met155	35342	1	31	3282	11.042	69.069481	-709	"Hit 1 : 5-hydroxy-1-deutero-1,2-pentadiene"	C5H7DO	 MF: 757	 RMF: 808	 Prob 24.3%		 Lib: w9n11	 ID: 4321.	"Hit 2 : 1H-Pyrazole, 4,5-dihydro-5-methyl-"	C4H8N2	 MF: 756	 RMF: 899	 Prob 23.3%	 CAS: 1568-20-3	 Lib: w9n11	 ID: 4069.	"Hit 3 : 1H-Pyrazole, 4,5-dihydro-5-methyl-"	C4H8N2	 MF: 756	 RMF: 899	 Prob 23.3%	 CAS: 1568-20-3	 Lib: mainlib	 ID: 34675.	86187	62485	107090	63869	76810	62481	84515	98664	125185	100649	84432	75288	73738	16.39518266	15.93122228	16.70846424	15.96282824	16.22900653	15.93112992	16.3669198	16.59023616	16.93370218	16.61897331	16.36550227	16.20013231	16.17012067	16.34495639	16.04098823	16.63028604	1.018949466	0.070715784	0	0	1	1	0.982842769	0.070715784	0	0	1	1	2	black	black
met156	56024	1	23	3285	11.052	207.031967	-105	"Hit 1 : N,N-Dimethyl-3,5-diisopropyl-4-hydroxyaniline"	C14H23NO	 MF: 851	 RMF: 866	 Prob 75.3%		 Lib: w9n11	 ID: 240469.	"Hit 2 : 1,5-Bis(diethoxyphosphinyl)pentane"	C13H30O6P2	 MF: 797	 RMF: 954	 Prob 14.8%		 Lib: w9n11	 ID: 573048.	"Hit 3 : 2?-D-Ribofuranosyl-8-nitro-s-triazolo[1,5-a]pyridine"	C11H12N4O6	 MF: 774	 RMF: 927	 Prob 5.38%	 CAS: 59696-95-6	 Lib: w9n11	 ID: 452517.	29484	38642	28862	19681	23481	25545	26853	27943	25508	28948	28434	30854	27646	14.84764464	15.23788215	14.81688365	14.26451591	14.51920623	14.64075332	14.71279565	14.7701993	14.63866217	14.82117606	14.79532945	14.91316992	14.75478314	14.96747015	14.47482515	14.70721904	1.034034608	0.06467017	0	0	1	1	1.017695467	0.06467017	0	0	1	1	2	black	black
met157	63027	1	32	3302	11.109	289.000427	248	Hit 1 : 3-Iodo-5-(5-methyl-2-thienyl)pyrrole	C9H8INS	 MF: 952	 RMF: 952	 Prob 47.4%		 Lib: w9n11	 ID: 433978.	Hit 2 : 4-(Trimethylsilyl)thianthrene 5-oxide	C15H16OS2Si	 MF: 932	 RMF: 932	 Prob 21.6%		 Lib: w9n11	 ID: 475429.	"Hit 3 : 3-O-Acetyl-5,6-O,S-carbonyl-1,2-isopropylidene-5(S)-thio-?L-idofuranose"	C12H16O7S	 MF: 919	 RMF: 919	 Prob 14.0%		 Lib: w9n11	 ID: 474645.	62276	51586	52840	46402	41537	56002	38491	52478	56190	70538	63986	53120	67554	15.92638866	15.65469196	15.68934285	15.50189937	15.3421094	15.77319073	15.23223353	15.67942512	15.77802578	16.10611305	15.96546866	15.69696753	16.04375358	15.75680782	15.5390665	15.56322814	1.01401251	0.06467017	0	0	1	1	1.012438273	0.06467017	0	0	1	1	2	black	black
met158	34390	1	37	3321	11.173	97.100533	-1381	Hit 1 : Trans-1-methyl-2-nonyl-cyclohexane	C16H32	 MF: 694	 RMF: 746	 Prob 5.21%		 Lib: mainlib	 ID: 69868.	Hit 2 : Trans-1-methyl-2-nonyl-cyclohexane	C16H32	 MF: 694	 RMF: 746	 Prob 5.21%		 Lib: w9n11	 ID: 251437.	"Hit 3 : 1,1'-Bicycloheptyl"	C14H26	 MF: 686	 RMF: 703	 Prob 3.89%	 CAS: 23183-11-1	 Lib: replib	 ID: 5230.	68573	52455	92024	59886	65506	66513	78738	84236	123834	80595	76376	65446	61784	16.06535302	15.67879268	16.48972255	15.86993115	15.99933944	16.02134872	16.26477245	16.36214931	16.91804795	16.29840272	16.22083174	15.9980174	15.91494566	16.07795608	15.96353977	16.5149899	1.007167352	0.070715784	0	0	1	1	0.973537143	0.070715784	0	0	1	1	2	black	black
met159	36562	1	30	3347	11.26	93.068954	-464	Hit 1 : .DELTA.3-Carene	C10H16	 MF: 797	 RMF: 870	 Prob 19.3%	 CAS: 13466-78-9	 Lib: w9n11	 ID: 45155.	Hit 2 : ?-Terpinene	C10H16	 MF: 788	 RMF: 871	 Prob 14.0%	 CAS: 99-85-4	 Lib: w9n11	 ID: 44840.	Hit 3 : Tricyclene	C10H16	 MF: 785	 RMF: 847	 Prob 12.4%	 CAS: 508-32-7	 Lib: w9n11	 ID: 45189.	47506	39858	62856	45113	50823	47924	50061	53687	75913	107880	62530	55040	46490	15.53582212	15.2825817	15.93976285	15.46125561	15.63319392	15.54846071	15.61139949	15.71228517	16.21205935	16.7190679	15.9322609	15.74819285	15.50463281	15.58605555	15.54763674	15.845248	1.002471039	0.070715784	0	0	1	1	0.98364226	0.070715784	0	0	1	1	2	black	black
met160	39155	1	19	3360	11.304	105.06913	192	"Hit 1 : 7,7-Dimethylnorbornadiene"	C9H12	 MF: 960	 RMF: 979	 Prob 33.5%	 CAS: 68757-94-8	 Lib: w9n11	 ID: 25898.	"Hit 2 : 7,7-dimethyl-tetracyclo[4.1.0.0(2,4).0(3,3)]heptane"	C9H12	 MF: 960	 RMF: 979	 Prob 33.5%	 CAS: 124345-62-6	 Lib: w9n11	 ID: 25933.	"Hit 3 : benzenemethanesulfonamide,-4-methyl-N-(8-oxo-3,7-dioxatricyclo[4.3.1.0(2,4]dec-9-yl)-,"	C16H19NO5S	 MF: 894	 RMF: 985	 Prob 5.28%	 CAS: 126423-62-9	 Lib: w9n11	 ID: 557937.	47986	51827	68892	47551	54471	48747	53136	65360	77690	51681	53834	50936	41212	15.55032594	15.66141627	16.07204884	15.53718806	15.73320073	15.57302581	15.69740201	15.99612036	16.24544129	15.65734637	15.71623	15.63639805	15.33077686	15.76126368	15.61447154	15.97965455	1.009401032	0.07436095	0	0	1	1	0.986333192	0.07436095	0	0	1	1	2	black	black
met161	35303	1	32	3375	11.354	83.085106	-709	Hit 1 : Cuscohygrine Dihydrochloride	C13H26Cl2N2O	 MF: 759	 RMF: 908	 Prob 34.7%		 Lib: w9n11	 ID: 452862.	Hit 2 : 3-(t-Butyl)cyclopentanone	C9H16O	 MF: 747	 RMF: 860	 Prob 23.1%		 Lib: w9n11	 ID: 51171.	Hit 3 : Methyl 2-oxopyrrolidin-5-(?-acetyl)acetate	C7H11NO2	 MF: 743	 RMF: 888	 Prob 19.5%		 Lib: w9n11	 ID: 52028.	70924	59129	91902	57377	69534	67786	82840	90699	129242	85714	76442	70479	67318	16.11398628	15.85157826	16.48780864	15.80818492	16.08543096	16.04869972	16.33803993	16.46879902	16.97971546	16.38724324	16.2220779	16.10490583	16.03870469	16.15112439	15.98077187	16.59551814	1.010659843	0.072585618	0	0	1	1	0.973222063	0.072585618	0	0	1	1	2	black	black
met162	5050	1	24	3384	11.384	74.03569	-282	"Hit 1 : Hexanoic acid, methyl ester (CAS)"	C7H14O2	 MF: 776	 RMF: 888	 Prob 78.9%	 CAS: 106-70-7	 Lib: w9n11	 ID: 36541.	"Hit 2 : Hexanoic acid, methyl ester (CAS)"	C7H14O2	 MF: 752	 RMF: 857	 Prob 78.9%	 CAS: 106-70-7	 Lib: w9n11	 ID: 36531.	"Hit 3 : Hexanoic acid, methyl ester"	C7H14O2	 MF: 741	 RMF: 855	 Prob 78.9%	 CAS: 106-70-7	 Lib: w9n11	 ID: 36536.	1888	1441	500	500	3419	500	2838	3352	2424	500	500	500	500	10.88264305	10.49285462	8.965784285	8.965784285	11.73935871	8.965784285	11.47065887	11.71080643	11.24317398	8.965784285	8.965784285	8.965784285	8.965784285	10.11376065	9.890309092	11.47487976	1.02259298	0.070715784	0	0	1	1	0.881382712	0.070715784	0	1	1	2	3	black	red
met163	63076	1	29	3416	11.491	289.000732	-211	Hit 1 : 3-Iodo-5-(5-methyl-2-thienyl)pyrrole	C9H8INS	 MF: 847	 RMF: 847	 Prob 42.7%		 Lib: w9n11	 ID: 433978.	"Hit 2 : 3-O-Acetyl-5,6-O,S-carbonyl-1,2-isopropylidene-5(S)-thio-?L-idofuranose"	C12H16O7S	 MF: 823	 RMF: 823	 Prob 14.3%		 Lib: w9n11	 ID: 474645.	"Hit 3 : 3-O-Acetyl-5,6-O,S-carbonyl-1,2-isopropylidene-6-thio-,beta.L-idofuranose"	C12H16O7S	 MF: 822	 RMF: 822	 Prob 13.8%		 Lib: w9n11	 ID: 474646.	46330	45677	34926	35183	44824	44765	39083	52455	45947	500	57252	47570	62910	15.49965906	15.47918028	15.0920138	15.10259088	15.45198378	15.45008357	15.25425359	15.67879268	15.48768305	8.965784285	15.80503847	15.5377644	15.94100174	15.35695105	15.33488608	15.47357644	1.001438874	0.070715784	0	0	1	1	0.992462932	0.070715784	0	0	1	1	2	black	black
met164	63031	1	29	3433	11.548	289.000916	244	Hit 1 : 3-Iodo-5-(5-methyl-2-thienyl)pyrrole	C9H8INS	 MF: 946	 RMF: 946	 Prob 45.9%		 Lib: w9n11	 ID: 433978.	Hit 2 : 4-(Trimethylsilyl)thianthrene 5-oxide	C15H16OS2Si	 MF: 940	 RMF: 940	 Prob 36.1%		 Lib: w9n11	 ID: 475429.	"Hit 3 : 3-O-Acetyl-5,6-O,S-carbonyl-1,2-isopropylidene-5(S)-thio-?L-idofuranose"	C12H16O7S	 MF: 890	 RMF: 890	 Prob 7.34%		 Lib: w9n11	 ID: 474645.	93435	100950	84484	58567	71672	65775	66723	83617	75568	75429	91723	89602	96246	16.51167545	16.62328139	16.36639052	15.83780038	16.12912199	16.00525172	16.02589654	16.35150866	16.20548782	16.20283168	16.48499592	16.45124331	16.55443896	16.50044912	15.9907247	16.19429767	1.031876255	0.06467017	0	0	1	1	1.018904892	0.06467017	0	0	1	1	2	black	black
met165	31787	1	42	3443	11.582	127.111336	-161	Hit 1 : 2-Methoxy-1-methylcyclohex-2-en-1-ol	C8H14O2	 MF: 839	 RMF: 882	 Prob 76.6%	 CAS: 116608-38-9	 Lib: w9n11	 ID: 53904.	Hit 2 : 2-(1'-Aminoethylidene)-butyrolactone	C6H9NO2	 MF: 803	 RMF: 966	 Prob 18.9%		 Lib: w9n11	 ID: 32458.	Hit 3 : Dimethyl [7-methyl-3-methyleneoct-6-enyl]phosphate	C12H23O4P	 MF: 728	 RMF: 804	 Prob 2.46%		 Lib: w9n11	 ID: 357066.	130909	97549	171827	114398	122916	133699	156005	192074	261990	161962	158023	118495	110072	16.99820476	16.57383946	17.39059723	16.8037023	16.9073132	17.02862915	17.25123274	17.55130272	17.99915222	17.30529584	17.26977503	16.85446666	16.748088	16.98754715	16.91321488	17.60056256	1.004394922	0.075868458	0	0	1	1	0.965170692	0.075868458	0	0	1	1	2	black	black
met166	58346	1	120	3452	11.612	211.007095	-197	"Hit 1 : 3,6,6-Trimethyl-2-thioxo-2,3,6,7-tetrahydro-1,3-benzoxazol-4(5)-one"	C10H13NO2S	 MF: 839	 RMF: 921	 Prob 38.3%		 Lib: w9n11	 ID: 211839.	Hit 2 : N-(p-methoxyphenyl)-N-ehylaniline	C15H17NO	 MF: 781	 RMF: 784	 Prob 7.05%	 CAS: 92115-23-6	 Lib: w9n11	 ID: 258758.	Hit 3 : 1-methoxy-4-pyrrolidinonaphthalene	C15H17NO	 MF: 779	 RMF: 782	 Prob 6.50%		 Lib: w9n11	 ID: 258746.	1820000	1450000	213845	915045	1400000	1870000	645836	1030000	957911	2770000	2010000	2270000	2150000	20.79550702	20.46762147	17.70620595	19.80348317	20.4169954	20.83460684	19.30080834	19.97421291	19.8695321	21.40145455	20.93876407	21.11426087	21.03590523	19.65644481	20.35169513	19.71485111	0.965838211	0.150087004	0	0	0	0	0.997037447	0.150087004	0	0	0	0	0	black	black
met167	39519	1	88	3487	11.73	93.068771	-185	Hit 1 : cis-Ocimene	C10H16	 MF: 881	 RMF: 893	 Prob 14.3%	 CAS: 6874-10-8	 Lib: w9n11	 ID: 44666.	Hit 2 : 3-Carene	C10H16	 MF: 881	 RMF: 890	 Prob 14.3%	 CAS: 13466-78-9	 Lib: w9n11	 ID: 45147.	Hit 3 : 3-Carene	C10H16	 MF: 881	 RMF: 890	 Prob 14.3%	 CAS: 13466-78-9	 Lib: mainlib	 ID: 66203.	7900000	6980000	8280000	7560000	7720000	7560000	8180000	8180000	8320000	8080000	8160000	7680000	7630000	22.91342122	22.73479561	22.98119934	22.8499548	22.88016942	22.8499548	22.96366941	22.96366941	22.9881521	22.94592386	22.96013772	22.87267488	22.86325163	22.87647206	22.86002634	22.97183031	1.000719409	0.069582918	0	0	1	1	0.995848905	0.069582918	0	0	1	1	2	black	black
met168	63078	1	48	3536	11.894	289.000824	192	Hit 1 : 3-Iodo-5-(5-methyl-2-thienyl)pyrrole	C9H8INS	 MF: 951	 RMF: 951	 Prob 47.8%		 Lib: w9n11	 ID: 433978.	Hit 2 : 4-(Trimethylsilyl)thianthrene 5-oxide	C15H16OS2Si	 MF: 945	 RMF: 945	 Prob 37.6%		 Lib: w9n11	 ID: 475429.	"Hit 3 : 3-O-Acetyl-5,6-O,S-carbonyl-1,2-isopropylidene-5(S)-thio-?L-idofuranose"	C12H16O7S	 MF: 883	 RMF: 883	 Prob 6.42%		 Lib: w9n11	 ID: 474645.	98466	90437	117395	71930	95770	99161	127693	120336	100741	105248	133016	100996	114663	16.58733803	16.46462551	16.84101144	16.13430598	16.54728618	16.5974852	16.96231991	16.87670878	16.62029143	16.68343329	17.02124027	16.62393863	16.80704041	16.63099166	16.42635912	16.81977338	1.012457571	0.07436095	0	0	1	1	0.988776203	0.07436095	0	0	1	1	2	black	black
met169	36160	1	29	3578	12.035	87.079353	-819	"Hit 1 : Silane, triethyl- (CAS)"	C6H16Si	 MF: 717	 RMF: 796	 Prob 23.8%	 CAS: 617-86-7	 Lib: w9n11	 ID: 22789.	"Hit 2 : 1,3-DIOXOLANE, 2-ETHYL-4-METHYLC6H12O2?"	MF: 716	 RMF: 901	 Prob 22.9%	 CAS: 4359-46-0		 Lib: w9n11	 ID: 22421.	"Hit 3 : Silane, triethyl-"	C6H16Si	 MF: 710	 RMF: 780	 Prob 23.8%	 CAS: 617-86-7	 Lib: w9n11	 ID: 22793.	34714	32582	25038	17891	20826	25355	113915	120366	70215	15443	15032	9101	27138	15.08322999	14.99178754	14.61183171	14.12694641	14.34609815	14.62998265	16.7975982	16.8770684	16.09949165	13.91466542	13.87574935	13.15180936	14.72802678	14.89561641	14.36767574	16.59138608	1.03674503	0.06467017	0	0	1	1	0.897792164	0.06467017	0	1	1	2	3	black	red
met170	31812	1	52	3598	12.102	55.054356	-1149	"Hit 1 : (R)-2,3-Dihydroxy-2,5-dimethyl-2-isopropylfuran"	C9H16O	 MF: 676	 RMF: 880	 Prob 15.2%		 Lib: w9n11	 ID: 51044.	"Hit 2 : 2,4,4,5-tetramethylcyclopentanone"	C9H16O	 MF: 661	 RMF: 825	 Prob 9.21%	 CAS: 116786-20-0	 Lib: w9n11	 ID: 51011.	"Hit 3 : Bicyclo[2.2.2]octan-1-ol, 4-methyl-"	C9H16O	 MF: 660	 RMF: 663	 Prob 8.85%	 CAS: 824-13-5	 Lib: mainlib	 ID: 36985.	172021	132358	268330	133604	165422	154324	234159	245659	381711	179184	176645	135675	158930	17.39222517	17.01408587	18.03364884	17.02760368	17.33579159	17.23560292	17.83712896	17.90629757	18.54212124	17.45108229	17.43049339	17.04979538	17.27803195	17.47998663	17.19966606	18.09518259	1.016298024	0.070715784	0	0	1	1	0.966002224	0.070715784	0	0	1	1	2	black	black
met171	56832	1	30	3658	12.303	211.007294	-138	"Hit 1 : 3,6,6-Trimethyl-2-thioxo-2,3,6,7-tetrahydro-1,3-benzoxazol-4(5)-one"	C10H13NO2S	 MF: 880	 RMF: 925	 Prob 55.8%		 Lib: w9n11	 ID: 211839.	Hit 2 : 1-Phenyl-3-cyano-2(1H)-pyridinethione	C12H8N2S	 MF: 831	 RMF: 861	 Prob 11.5%	 CAS: 91540-44-2	 Lib: w9n11	 ID: 214843.	"Hit 3 : 7-Hydroxy-2-methyl-2-(N-Methylanilino)deca-2,4-dienenitrile"	C18H24N2O	 MF: 818	 RMF: 910	 Prob 7.39%		 Lib: w9n11	 ID: 422175.	25712	29153	21221	18368	28257	24049	20000	23092	25479	26015	41531	31049	39110	14.65015421	14.83135673	14.37320502	14.16490693	14.78632068	14.55368928	14.28771238	14.49510551	14.63702104	14.66705609	15.34190099	14.92225918	15.25524992	14.61823866	14.50163897	14.47327964	1.008040449	0.070715784	0	0	1	1	1.01001563	0.070715784	0	0	1	1	2	black	black
met172	28298	1	81	3660	12.31	128.028061	167	Hit 1 : 2-Methyl-3-(methylthio)furan	C6H8OS	 MF: 919	 RMF: 948	 Prob 54.4%		 Lib: w9n11	 ID: 33221.	"Hit 2 : Furan, 2-methyl-5-(methylthio)- (CAS)"	C6H8OS	 MF: 854	 RMF: 927	 Prob 8.76%	 CAS: 13678-59-6	 Lib: w9n11	 ID: 33197.	"Hit 3 : Furan, 2-methyl-5-(methylthio)-"	C6H8OS	 MF: 850	 RMF: 924	 Prob 8.76%	 CAS: 13678-59-6	 Lib: w9n11	 ID: 33198.	999975	1010000	600021	1020000	1560000	174338	3670000	268587	1930000	500	500	500	500	19.9315325	19.94592386	19.19465347	19.96013772	20.5731146	17.41152754	21.80734863	18.03502995	20.88016942	8.965784285	8.965784285	8.965784285	8.965784285	19.69070328	19.31492662	20.24084933	1.019455246	0.10403119	0	0	0	0	0.972820011	0.10403119	0	0	0	0	0	black	black
met173	36783	1	16	3677	12.367	93.06881	-334	Hit 1 : cis-3-Butyl-4-vinylcyclopentene	C11H18	 MF: 826	 RMF: 860	 Prob 25.9%	 CAS: 90582-62-0	 Lib: w9n11	 ID: 67669.	"Hit 2 : 1,3,6-Octatriene, 3,7-dimethyl-, (E)- (CAS)"	C10H16	 MF: 799	 RMF: 821	 Prob 7.62%	 CAS: 3779-61-1	 Lib: w9n11	 ID: 44652.	Hit 3 : .DELTA.3-Carene	C10H16	 MF: 791	 RMF: 815	 Prob 5.68%	 CAS: 13466-78-9	 Lib: w9n11	 ID: 45154.	500	22027	37657	32084	31644	36621	19642	23407	38580	129196	41067	47206	31857	8.965784285	14.4269854	15.20063045	14.9695664	14.94964436	15.16038357	14.26165422	14.51465242	15.23556552	16.97920188	15.32569194	15.52668262	14.95932279	12.86446671	15.02653144	14.67062405	0.856116847	0.068262346	0	1	1	2	0.876886127	0.068262346	0	1	1	2	4	red	red
met174	36778	1	123	3695	12.428	57.069241	-1562	"Hit 1 : 2,2-Dimethylpropanoic acid, 2,7-dimethyloct-7-en-5-yn-4-yl ester"	C15H24O2	 MF: 585	 RMF: 648	 Prob 12.5%		 Lib: mainlib	 ID: 27217.	"Hit 2 : 2,2-Dimethylpropanoic acid, 2,7-dimethyloct-7-en-5-yn-4-yl ester"	C15H24O2	 MF: 585	 RMF: 648	 Prob 12.5%		 Lib: w9n11	 ID: 284484.	"Hit 3 : 8-Hydroxy-2,2,8-trimethyldeca-5,9-dien-3-one"	C13H22O2	 MF: 571	 RMF: 591	 Prob 7.84%	 CAS: 83040-92-0	 Lib: mainlib	 ID: 25523.	1540000	1100000	2120000	1020000	1120000	1090000	1520000	2120000	2920000	3580000	3460000	2610000	2390000	20.55449892	20.06907209	21.01563283	19.96013772	20.0950673	20.0558967	20.53563989	21.01563283	21.47753694	21.77152816	21.72234061	21.31561838	21.18857919	20.54640128	20.03703391	21.00960322	1.025421296	0.070715784	0	0	1	1	0.977952847	0.070715784	0	0	1	1	2	black	black
met2	56627	0.739512	97	3695	12.428	192.979507	-331	"Hit 1 : 5,6-Dihydro-2,4-dimethylbenz[f]isoquinoline"	C15H15N	 MF: 785	 RMF: 794	 Prob 45.1%	 CAS: 27403-17-4	 Lib: w9n11	 ID: 207356.	Hit 2 : 4-nitrophthalamide	C8H7N3O4	 MF: 771	 RMF: 790	 Prob 28.2%	 CAS: 13138-53-9	 Lib: w9n11	 ID: 205952.	Hit 3 : [2-(Trimethylsilyl)-3-methoxyphenyl]-methanol	C11H18O2Si	 MF: 749	 RMF: 866	 Prob 11.2%		 Lib: w9n11	 ID: 209098.	2870000	3560000	2470000	1470000	1460000	1430000	1560000	1810000	1320000	1170000	1920000	1650000	1830000	21.45261931	21.76344581	21.23607961	20.48738472	20.47753694	20.44758372	20.5731146	20.78755827	20.3321065	20.1580771	20.87267488	20.65403459	20.80341222	21.48404824	20.47083513	20.56425979	1.049495446	0.06467017	0	0	1	1	1.044727526	0.06467017	0	0	1	1	2	black	black
met175	2178	1	20	3707	12.468	69.069763	-377	Hit 1 : Methyl ester of trifluoroacetic acid	C3H3F3O2	 MF: 772	 RMF: 989	 Prob 32.1%	 CAS: 431-47-0	 Lib: w9n11	 ID: 32893.	"Hit 2 : Acetic acid, trifluoro-, ethyl ester (CAS)"	C4H5F3O2	 MF: 759	 RMF: 973	 Prob 20.8%	 CAS: 383-63-1	 Lib: w9n11	 ID: 52615.	Hit 3 : NITROSOTRIFLUOROMETHANE	CF3NO	 MF: 743	 RMF: 952	 Prob 12.0%		 Lib: w9n11	 ID: 9728.	500	500	500	500	500	83475	500	113243	500	158052	128470	121564	115040	8.965784285	8.965784285	8.965784285	8.965784285	8.965784285	16.34905657	8.965784285	16.78906235	8.965784285	17.27003977	16.97107198	16.89135653	16.81177606	8.965784285	11.42687505	11.57354364	0.784622589	0.070715784	0	1	1	2	0.774679265	0.070715784	0	1	1	2	4	red	red
met30	35310	0.999566	23	3719	12.508	84.092674	-642	"Hit 1 : 2H,6H-Cyclopenta[b][1,4]dioxepin, 5a,7,8,8a-tetrahydro-, trans-"	C8H12O2	 MF: 691	 RMF: 702	 Prob 26.3%	 CAS: 38653-39-3	 Lib: w9n11	 ID: 50179.	"Hit 2 : 2H,6H-Cyclopenta[b][1,4]dioxepin, 5a,7,8,8a-tetrahydro-, trans-"	C8H12O2	 MF: 691	 RMF: 702	 Prob 26.3%	 CAS: 38653-39-3	 Lib: mainlib	 ID: 18840.	"Hit 3 : 2-Decene, (E)-"	C10H20	 MF: 649	 RMF: 660	 Prob 5.89%	 CAS: 20063-97-2	 Lib: replib	 ID: 4845.	30628	31023	42616	28117	29714	31548	43813	44599	57630	39703	40863	30707	31554	14.90256354	14.92105058	15.37910757	14.77915505	14.85885521	14.94526093	15.41907138	15.44472374	15.8145324	15.2769604	15.3185075	14.90627995	14.94553528	15.0675739	14.8610904	15.55944251	1.013894236	0.066894347	0	0	1	1	0.968387774	0.066894347	0	0	1	1	2	black	black
met176	35230	1	59	3739	12.575	91.053833	-1187	"Hit 1 : Benzyl 2-methyl-2,5-dihydrofuran-2-carboxylate"	C13H14O3	 MF: 608	 RMF: 937	 Prob 18.3%		 Lib: w9n11	 ID: 231156.	"Hit 2 : Carbonic acid, ethyl tetradecyl ester"	C17H34O3	 MF: 583	 RMF: 640	 Prob 5.58%		 Lib: mainlib	 ID: 59292.	"Hit 3 : Carbonic acid, ethyl tetradecyl ester"	C17H34O3	 MF: 583	 RMF: 640	 Prob 5.58%		 Lib: w9n11	 ID: 427632.	140083	125711	159592	122601	125121	107768	153263	150672	191613	126037	144477	135448	128632	17.09592236	16.93975137	17.28402881	16.90361122	16.93296442	16.71756933	17.22564993	17.20105181	17.54783592	16.94348779	17.14048032	17.04737957	16.97289006	17.10656751	16.85138166	17.32484589	1.015143319	0.078879129	0	0	1	1	0.987400848	0.078879129	0	0	1	1	2	black	black
met177	29037	1	20	3746	12.599	56.061367	-746	"Hit 1 : Cyclobutanone, 3,3-dimethyl- (CAS)"	C6H10O	 MF: 665	 RMF: 901	 Prob 63.0%	 CAS: 1192-33-2	 Lib: w9n11	 ID: 9191.	"Hit 2 : Cyclobutanone, 2,2-dimethyl- (CAS)"	C6H10O	 MF: 621	 RMF: 861	 Prob 13.7%	 CAS: 1192-14-9	 Lib: w9n11	 ID: 9179.	"Hit 3 : 3,5-Dimethyldihydropyran-2,6-dione"	C7H10O3	 MF: 597	 RMF: 894	 Prob 4.57%	 CAS: 7446-84-6	 Lib: w9n11	 ID: 53256.	17563	16257	20533	15638	14184	15173	26307	25235	500	21094	19017	17216	17944	14.10025168	13.98877343	14.32565681	13.93276839	13.79197682	13.88921874	14.68315912	14.62313847	8.965784285	14.36454508	14.21500205	14.07146236	14.13121391	14.13822731	13.87132132	12.75736062	1.019241569	0.073394475	0	0	1	1	1.108240782	0.073394475	1	0	1	2	3	black	red
met178	32325	1	31	3759	12.642	57.033245	-1589	Hit 1 : tetrahydro - 4 - methyl - 3 - furanone	C5H8O2	 MF: 565	 RMF: 839	 Prob 18.1%		 Lib: w9n11	 ID: 10529.	"Hit 2 : Butanal, 2-ethyl- (CAS)"	C6H12O	 MF: 563	 RMF: 835	 Prob 16.7%	 CAS: 97-96-1	 Lib: w9n11	 ID: 10723.	"Hit 3 : Hexanal, 2-ethyl- (CAS)"	C8H16O	 MF: 546	 RMF: 630	 Prob 9.10%	 CAS: 123-05-7	 Lib: w9n11	 ID: 34174.	36830	116446	40036	30880	39926	34976	30721	32184	28264	37218	29238	34448	33767	15.16859378	16.82930156	15.28901022	14.91438513	15.28504092	15.09407769	14.90693756	14.97405602	14.78667803	15.18371291	14.83555701	15.0721326	15.04332639	15.76230185	15.09783458	14.88922387	1.044010766	0.145144229	0	0	0	0	1.058638247	0.145144229	0	0	0	0	0	black	black
met179	62895	1	105	3786	12.733	285.024384	146	"Hit 1 : 1,3-Bis(fluorodimethylsilyl)-2,2,4,4-tetramethyl-1,3-diaza-2,4-disilacyclobutane"	C8H24F2N2Si4	 MF: 916	 RMF: 916	 Prob 66.7%		 Lib: w9n11	 ID: 457874.	"Hit 2 : naphtho[2',1':4,5]thieno[2,3-c]quinoline (CAS)"	C19H11NS	 MF: 857	 RMF: 857	 Prob 12.1%	 CAS: 96547-31-8	 Lib: w9n11	 ID: 424716.	"Hit 3 : Phenyl 2,3,4-trimethoxy-6-methylphenyl ketone"	C17H18O4	 MF: 825	 RMF: 825	 Prob 3.22%		 Lib: w9n11	 ID: 427369.	624144	594658	512483	392212	402881	531771	497787	628032	675291	740060	678330	563823	541485	19.25151939	19.18170066	18.96714462	18.58127415	18.61999424	19.02044558	18.92516903	19.26047854	19.3651498	19.49728272	19.37162777	19.10488281	19.04656185	19.13345489	18.74057132	19.18359913	1.020964332	0.066607529	0	0	1	1	0.997386088	0.066607529	0	0	1	1	2	black	black
met180	33552	1	21	3804	12.793	81.069168	-772	"Hit 1 : 7,7-Dimethylnorbornane"	C9H16	 MF: 653	 RMF: 815	 Prob 38.7%	 CAS: 2034-53-9	 Lib: w9n11	 ID: 29499.	Hit 2 : cis-9-oxabicyclo[6.1.0]non-2-ene	C8H12O	 MF: 630	 RMF: 779	 Prob 14.1%	 CAS: 57338-09-7	 Lib: w9n11	 ID: 29168.	"Hit 3 : 7,7-Dimethylnorbornane"	C9H16	 MF: 629	 RMF: 794	 Prob 38.7%	 CAS: 2034-53-9	 Lib: w9n11	 ID: 29498.	19544	19669	33210	14348	23848	15271	35600	21962	33628	17746	19590	14870	17315	14.25443815	14.26363599	15.0193301	13.80856203	14.54158066	13.89850692	15.11958962	14.42272182	15.03737536	14.11520625	14.25782978	13.86011703	14.07973477	14.51246808	14.0828832	14.8598956	1.030504043	0.069963629	0	0	1	1	0.976619787	0.069963629	0	0	1	1	2	black	black
met181	42915	1	17	3814	12.827	123.023659	103	"Hit 1 : (5r,8s,10r)-8-(tert-butoxycarbonylamino)ergoline"	C19H25N3O2	 MF: 838	 RMF: 910	 Prob 93.6%	 CAS: 107672-89-9	 Lib: w9n11	 ID: 535236.	"Hit 2 : 3-Chloro-5-methoxy-4-(N-p-methoxyphenylamino)-2,5-dihydrofuran-2-one"	C12H12ClNO4	 MF: 727	 RMF: 790	 Prob 5.91%		 Lib: w9n11	 ID: 377787.	"Hit 3 : 1-[2'-(2""-Methyl-1"",3""-dioxolanyl)]-3,3,6,6-tetramethoxy-1,4-cyclohexadiene"	C14H22O6	 MF: 610	 RMF: 663	 Prob 0.33%		 Lib: w9n11	 ID: 425908.	13387	11809	11477	7642	7569	8418	9188	9469	9006	10066	10664	8082	10103	13.70854507	13.52759918	13.48645796	12.89973454	12.88588699	13.03926179	13.16553514	13.20899636	13.13667076	13.29720288	13.38046107	12.98049664	13.30249613	13.57420074	12.94162778	13.17040075	1.048878933	0.06467017	0	0	1	1	1.030659658	0.06467017	0	0	1	1	2	black	black
met182	42454	1	32	3837	12.904	120.09269	-1679	Hit 1 : Octadecanophenone	C24H40O	 MF: 641	 RMF: 736	 Prob 10.6%	 CAS: 6786-36-3	 Lib: replib	 ID: 18902.	Hit 2 : Octadecanophenone	C24H40O	 MF: 641	 RMF: 736	 Prob 10.6%	 CAS: 6786-36-3	 Lib: w9n11	 ID: 575636.	Hit 3 : Hexadecanophenone	C22H36O	 MF: 633	 RMF: 687	 Prob 7.93%	 CAS: 6697-12-7	 Lib: mainlib	 ID: 101522.	49118	47626	53851	41494	49151	41339	66643	63579	82463	50830	50961	47535	49653	15.5839642	15.53946176	15.71668552	15.34061512	15.58493315	15.33521587	16.02416573	15.9562627	16.33145933	15.63339261	15.63710597	15.53670254	15.59959327	15.61337049	15.42025471	16.10396259	1.012523514	0.066579461	0	0	1	1	0.969535939	0.066579461	0	0	1	1	2	black	black
met183	28182	1	40	3851	12.951	105.034416	-107	Hit 1 : Benzaldehyde (CAS)	C7H6O	 MF: 922	 RMF: 945	 Prob 21.3%	 CAS: 100-52-7	 Lib: w9n11	 ID: 14265.	"Hit 2 : ?,D-Xylopyranose Tetrabenzoate"	C33H34O9	 MF: 914	 RMF: 946	 Prob 15.9%		 Lib: w9n11	 ID: 794517.	Hit 3 : Benzaldehyde	C7H6O	 MF: 913	 RMF: 913	 Prob 21.3%	 CAS: 100-52-7	 Lib: replib	 ID: 10910.	7110000	7050000	6850000	5390000	5960000	5970000	7510000	7640000	7100000	8270000	8280000	8210000	8300000	22.76141813	22.74919183	22.70767256	22.36185384	22.5068809	22.5092995	22.84038148	22.86514121	22.75938759	22.9794559	22.98119934	22.96895079	22.98467991	22.7394275	22.45934475	22.82163676	1.012470656	0.390251917	0	0	0	0	0.996397749	0.390251917	0	0	0	0	0	black	black
met184	31815	1	33	3865	12.998	69.06971	-918	"Hit 1 : 2-Cyclopenten-1-one, 3-(acetyloxy)-"	C7H8O3	 MF: 691	 RMF: 802	 Prob 30.6%	 CAS: 18766-96-6	 Lib: w9n11	 ID: 49823.	"Hit 2 : Benzoic acid, 2-mercapto- (CAS)"	C7H6O2S	 MF: 670	 RMF: 799	 Prob 13.0%	 CAS: 147-93-3	 Lib: w9n11	 ID: 74001.	"Hit 3 : 3-Octene, 4-ethyl-"	C10H20	 MF: 665	 RMF: 716	 Prob 10.5%	 CAS: 53966-51-1	 Lib: w9n11	 ID: 51364.	109430	88084	71781	68435	79073	83348	113122	112306	160736	122570	99068	97080	104212	16.73964878	16.42659236	16.1313144	16.06244674	16.27089754	16.34685996	16.78752001	16.77707548	17.29433356	16.90324639	16.59613151	16.56688649	16.66916189	16.43251851	16.22673475	16.95297635	1.012681773	0.068123409	0	0	1	1	0.969299914	0.068123409	0	0	1	1	2	black	black
met185	28790	1	35	3892	13.089	55.054256	-539	"Hit 1 : 5,5-Diethyl-1,2-oxathiane 2,2-dioxide"	C8H16O3S	 MF: 702	 RMF: 785	 Prob 39.6%	 CAS: 75732-51-3	 Lib: w9n11	 ID: 158647.	"Hit 2 : Cyclohexane, 1-methyl-4-(1-methylethyl)-, cis-"	C10H20	 MF: 651	 RMF: 702	 Prob 7.99%	 CAS: 6069-98-3	 Lib: replib	 ID: 5270.	"Hit 3 : Cyclohexane, 1-methyl-4-(1-methylethyl)-, cis-"	C10H20	 MF: 651	 RMF: 702	 Prob 7.99%	 CAS: 6069-98-3	 Lib: w9n11	 ID: 51438.	87915	72349	148783	72019	100343	77713	105170	108645	159483	108547	102037	84994	80046	16.42382172	16.14268546	17.18285017	16.13608995	16.61458045	16.24586834	16.68236371	16.72926226	17.28304312	16.72796033	16.63873286	16.37507338	16.28854169	16.58311911	16.33217958	16.89822303	1.01536473	0.087550276	0	0	1	1	0.981352837	0.087550276	0	0	1	1	2	black	black
met14	892	0.942359	31	3933	13.226	105.041878	-937	"Hit 1 : 3-Benzoyl-4,4-dimethyl-1,3-thiazolidine-2-thione"	C12H13NOS2	 MF: 657	 RMF: 817	 Prob 35.5%		 Lib: w9n11	 ID: 326104.	"Hit 2 : Benzoic acid, 2,4,5-trichlorophenyl ester"	C13H7Cl3O2	 MF: 628	 RMF: 821	 Prob 10.1%		 Lib: mainlib	 ID: 79062.	"Hit 3 : Benzoic acid, 2,4,5-trichlorophenyl ester"	C13H7Cl3O2	 MF: 628	 RMF: 821	 Prob 10.1%		 Lib: w9n11	 ID: 463918.	55139	52425	57068	36281	42923	43253	500	47525	500	46292	62914	59233	61828	15.75078548	15.67796734	15.80039438	15.1469266	15.38946329	15.40051258	8.965784285	15.53639901	8.965784285	15.49847527	15.94109347	15.85411354	15.91597272	15.74304907	15.31230082	11.15598919	1.028130863	0.12059674	0	0	0	0	1.411174643	0.12059674	1	0	0	1	1	black	black
met186	22166	1	1243	3936	13.236	126.028267	-181	Hit 1 : 1-trideuteromethyl 4-methyl citraconate	C7H7D3O4	 MF: 671	 RMF: 702	 Prob 96.3%	 CAS: 617-54-9	 Lib: w9n11	 ID: 82667.	Hit 2 : 2-Ethylamino-5-(4-cyanophenyl)-4-[5-(azepin-2-ylidene)aminopentyl]thiazole hydrobromide	C23H32BrN5S	 MF: 482	 RMF: 705	 Prob 1.46%		 Lib: w9n11	 ID: 763434.	Hit 3 : 1-Methyl-trans-decahydroquinol-4(axial)-ol	C10H19NO	 MF: 444	 RMF: 525	 Prob 0.35%		 Lib: w9n11	 ID: 106744.	4080000	4270000	3880000	4680000	4510000	3910000	3880000	4220000	3700000	500	500	500	500	21.96013772	22.02580464	21.88762522	22.1580771	22.104696	21.89873718	21.88762522	22.00881157	21.81909384	8.965784285	8.965784285	8.965784285	8.965784285	21.95785586	22.05383676	21.90517688	0.995647882	0.06467017	0	0	1	1	1.002404865	0.06467017	0	0	1	1	2	black	black
met187	25260	1	1312	3941	13.253	126.02951	-814	Hit 1 : 7-Ketolincomycin	C18H32N2O6S	 MF: 634	 RMF: 970	 Prob 32.8%	 CAS: 17057-59-9	 Lib: w9n11	 ID: 681569.	Hit 2 : Lincomycin	C18H34N2O6S	 MF: 632	 RMF: 967	 Prob 30.3%	 CAS: 154-21-2	 Lib: w9n11	 ID: 684436.	Hit 3 : Lincomycin	C18H34N2O6S	 MF: 586	 RMF: 876	 Prob 30.3%	 CAS: 154-21-2	 Lib: w9n11	 ID: 684435.	3180000	3270000	3480000	600000	830000	770000	2210000	3230000	500	500	500	500	500	21.60059533	21.64085921	21.73065588	19.19460298	19.66275181	19.55449892	21.07561494	21.62310273	8.965784285	8.965784285	8.965784285	8.965784285	8.965784285	21.65737014	19.4706179	17.22150065	1.112310367	0.085238665	1	0	1	2	1.257577407	0.085238665	1	0	1	2	4	red	red
met188	807	1	29	3944	13.263	120.094414	-1774	Hit 1 : 12-Methyl-15-pentadecanolide	C16H30O2	 MF: 454	 RMF: 653	 Prob 19.0%	 CAS: 112405-42-2	 Lib: w9n11	 ID: 336469.	"Hit 2 : (e)-3,7,11,15-tetramethyl-2-hexadecenal"	C20H38O	 MF: 439	 RMF: 804	 Prob 11.5%	 CAS: 100605-89-8	 Lib: w9n11	 ID: 450120.	"Hit 3 : Methyl (1S,3R)-3-Amino-2,2,3-trimethylcyclopentanecarboxylate"	C10H19NO2	 MF: 431	 RMF: 551	 Prob 8.59%		 Lib: w9n11	 ID: 143666.	39246	35361	45672	35217	42607	500	53220	56093	57252	36378	35335	39691	34155	15.260258	15.10987145	15.47902235	15.1039844	15.37880285	8.965784285	15.69968089	15.77553312	15.80503847	15.15077861	15.10881029	15.27652429	15.05980917	15.2830506	13.14952384	15.76008416	1.162251256	0.066894347	1	0	1	2	0.969731535	0.066894347	0	0	1	1	3	red	black
met189	61325	1	1613	3953	13.293	79.973801	-573	"Hit 1 : Trisulfide, dimethyl (CAS)"	C2H6S3	 MF: 632	 RMF: 673	 Prob 74.8%	 CAS: 3658-80-8	 Lib: w9n11	 ID: 30202.	"Hit 2 : Trisulfide, dimethyl (CAS)"	C2H6S3	 MF: 624	 RMF: 696	 Prob 74.8%	 CAS: 3658-80-8	 Lib: w9n11	 ID: 30206.	"Hit 3 : Trisulfide, dimethyl (CAS)"	C2H6S3	 MF: 614	 RMF: 660	 Prob 74.8%	 CAS: 3658-80-8	 Lib: w9n11	 ID: 30207.	4470000	5100000	5440000	4210000	4960000	4820000	7080000	4520000	7030000	500	500	500	500	22.0918434	22.28206582	22.37517522	22.0053888	22.24190869	22.20060172	22.75531793	22.10789134	22.74509326	8.965784285	8.965784285	8.965784285	8.965784285	22.24969481	22.14929974	22.53610084	1.004532652	0.07436095	0	0	1	1	0.987291234	0.07436095	0	0	1	1	2	black	black
met190	62941	1	129	3983	13.394	207.031845	-799	"Hit 1 : (3R)-3-Phenyl-2,3-dihydro-1H-isoindol-1-one"	C14H11NO	 MF: 682	 RMF: 924	 Prob 15.0%		 Lib: w9n11	 ID: 207250.	"Hit 2 : 2,5,5-Trimethyl-2-(butylthio)cycloheptatriene"	C14H22S	 MF: 682	 RMF: 852	 Prob 15.0%		 Lib: w9n11	 ID: 244165.	"Hit 3 : Cyclotrisiloxane, hexamethyl-"	C6H18O3Si3	 MF: 679	 RMF: 893	 Prob 13.2%	 CAS: 541-05-9	 Lib: replib	 ID: 29125.	1980000	1740000	1490000	947383	1130000	1290000	1480000	1460000	1410000	927759	996150	1010000	1010000	20.917069	20.73065588	20.5068809	19.85358826	20.10789134	20.29893963	20.49716575	20.47753694	20.42726373	19.82339057	19.92600347	19.94592386	19.94592386	20.71820193	20.08680641	20.46732214	1.031433345	0.06467017	0	0	1	1	1.012257577	0.06467017	0	0	1	1	2	black	black
met191	6226	1	57	3984	13.397	75.025665	-2433	"Hit 1 : 1,3-Propanediol, trimethylsilyl ether"	C6H16O2Si	 MF: 441	 RMF: 614	 Prob 5.54%		 Lib: w9n11	 ID: 62559.	"Hit 2 : 1,3-Propanediol, trimethylsilyl ether"	C6H16O2Si	 MF: 441	 RMF: 614	 Prob 5.54%		 Lib: w9n11	 ID: 62560.	"Hit 3 : 1,3-Propanediol, TMS derivative"	C6H16O2Si	 MF: 441	 RMF: 614	 Prob 5.54%		 Lib: mainlib	 ID: 45567.	69248	62886	500	500	500	500	500	500	58702	47883	55030	56119	55198	16.07948478	15.94045125	8.965784285	8.965784285	8.965784285	8.965784285	8.965784285	8.965784285	15.84112204	15.54722592	15.74793071	15.77620168	15.75232837	13.66190677	8.965784285	11.25756354	1.523782676	0.17713222	1	0	0	1	1.213575809	0.17713222	1	0	0	1	2	black	black
met192	9914	1	19	4005	13.468	95.077843	-579	"Hit 1 : (3R,5S)-3,5-Dimethyl-1-cyclopentylmethanol"	C8H14O	 MF: 652	 RMF: 844	 Prob 66.6%		 Lib: w9n11	 ID: 31817.	"Hit 2 : Methyl ester of 2,5-hexadienoic acid"	C7H10O2	 MF: 592	 RMF: 831	 Prob 11.8%	 CAS: 5889-42-9	 Lib: w9n11	 ID: 30836.	Hit 3 : 9-Hydroxymegastigm-7-en-9-one	C13H22O2	 MF: 592	 RMF: 778	 Prob 11.8%		 Lib: w9n11	 ID: 210362.	6557	7241	7569	6337	9656	7633	16964	9688	20811	500	500	500	500	12.67882018	12.82197324	12.88588699	12.6295843	13.23720996	12.89803448	14.05018877	13.24198315	14.34505867	8.965784285	8.965784285	8.965784285	8.965784285	12.79556014	12.92160958	13.87907686	0.990245066	0.066607529	0	0	1	1	0.921931643	0.066607529	0	0	1	1	2	black	black
met193	30117	1	63	4011	13.488	69.069855	-1066	Hit 1 : 2-Methyl-3-ethyl-2-heptene	C10H20	 MF: 663	 RMF: 822	 Prob 17.2%	 CAS: 19780-61-1	 Lib: mainlib	 ID: 20300.	Hit 2 : 2-Methyl-3-ethyl-2-heptene	C10H20	 MF: 663	 RMF: 822	 Prob 17.2%	 CAS: 19780-61-1	 Lib: w9n11	 ID: 51540.	"Hit 3 : 4-Octene, 2,6-dimethyl-, [S-(E)]-"	C10H20	 MF: 657	 RMF: 818	 Prob 13.5%	 CAS: 62960-76-3	 Lib: mainlib	 ID: 20200.	135878	104951	88600	87437	98306	99552	153090	146232	217716	103596	87247	100066	101740	17.05195236	16.67935639	16.43501908	16.41595628	16.58499185	16.60316268	17.22402052	17.15789953	17.73208791	16.66060877	16.4128179	16.61059234	16.63452747	16.72210928	16.5347036	17.37133599	1.011334081	0.06467017	0	0	1	1	0.962626553	0.06467017	0	0	1	1	2	black	black
met194	36138	1	30	4030	13.552	60.019875	-401	Hit 1 : 3-Hydroxy-3-phenyl-2-propylisoindolin-1-one	C17H17NO2	 MF: 655	 RMF: 663	 Prob 83.1%		 Lib: w9n11	 ID: 373180.	Hit 2 : Hexanoic acid (CAS)	C6H12O2	 MF: 562	 RMF: 879	 Prob 6.87%	 CAS: 142-62-1	 Lib: w9n11	 ID: 22041.	"Hit 3 : Pentanoic acid, 3-methyl-"	C6H12O2	 MF: 549	 RMF: 797	 Prob 4.44%	 CAS: 105-43-1	 Lib: replib	 ID: 7532.	17400	8246	6809	500	266870	7441	13875	12018	500	2957	5984	8348	500	14.08679969	13.00947875	12.73322722	8.965784285	18.02577761	12.8612808	13.76020015	13.55290921	8.965784285	11.52991853	12.54689446	13.02721489	8.965784285	13.27650188	13.2842809	12.09296455	0.999414419	0.618650495	0	0	0	0	1.097869909	0.618650495	0	0	0	0	0	black	black
met195	28303	1	98	4053	13.629	93.068626	-258	Hit 1 : Sabinene	C10H16	 MF: 852	 RMF: 883	 Prob 17.7%	 CAS: 3387-41-5	 Lib: w9n11	 ID: 45053.	Hit 2 : 2-?-PINENE	C10H16	 MF: 851	 RMF: 869	 Prob 17.0%	 CAS: 127-91-3	 Lib: w9n11	 ID: 45120.	Hit 3 : Sabinene	C10H16	 MF: 846	 RMF: 865	 Prob 17.7%	 CAS: 3387-41-5	 Lib: w9n11	 ID: 45064.	1270000	927969	1590000	840632	958186	783023	1840000	1710000	2730000	311849	1150000	706955	898666	20.27639707	19.82371709	20.60059533	19.68111485	19.86994621	19.57869516	20.81127434	20.70556489	21.38046952	18.25048811	20.13320243	19.43125886	19.77742549	20.23356983	19.70991874	20.96576958	1.026567897	0.06467017	0	0	1	1	0.965076419	0.06467017	0	0	1	1	2	black	black
met196	30229	1	37	4083	13.729	93.989655	-190	Hit 1 : Dimethyl disulfide	C2H6S2	 MF: 863	 RMF: 937	 Prob 31.3%		 Lib: w9n11	 ID: 7467.	"Hit 2 : Disulfide, dimethyl"	C2H6S2	 MF: 861	 RMF: 879	 Prob 28.9%	 CAS: 624-92-0	 Lib: w9n11	 ID: 7456.	"Hit 3 : Disulfide, dimethyl"	C2H6S2	 MF: 860	 RMF: 879	 Prob 28.9%	 CAS: 624-92-0	 Lib: mainlib	 ID: 67124.	1010000	834366	501267	648999	765305	676797	738610	810199	618295	500	500	500	500	19.94592386	19.67032084	18.93521973	19.30785673	19.5456753	19.36836365	19.49445327	19.62791678	19.23793581	8.965784285	8.965784285	8.965784285	8.965784285	19.51715481	19.40729856	19.45343529	1.005660564	0.203296467	0	0	0	0	1.00327549	0.203296467	0	0	0	0	0	black	black
met197	41922	1	44	4102	13.793	118.076561	-256	Hit 1 : (1S-cis)-1-Ethynyl-2-methylbicyclo[3.1.0]hexane	C9H10	 MF: 843	 RMF: 907	 Prob 56.0%		 Lib: w9n11	 ID: 24649.	"Hit 2 : Benzene, 1-propenyl- (CAS)"	C9H10	 MF: 806	 RMF: 887	 Prob 13.6%	 CAS: 637-50-3	 Lib: w9n11	 ID: 24542.	"Hit 3 : Benzene, 1-ethenyl-2-methyl- (CAS)"	C9H10	 MF: 785	 RMF: 874	 Prob 5.79%	 CAS: 611-15-4	 Lib: w9n11	 ID: 24576.	46430	41752	47357	37760	40450	39749	47674	41177	45140	32851	35892	34205	36645	15.50276966	15.34955769	15.53129007	15.20457114	15.30385208	15.27863095	15.54091506	15.3295511	15.4621188	15.00364967	15.1313747	15.06191961	15.16132874	15.46120581	15.26235139	15.44419499	1.013029081	0.06467017	0	0	1	1	1.001101438	0.06467017	0	0	1	1	2	black	black
met198	26591	1	494	4144	13.934	284.050079	152	"Hit 1 : Benzo[b]phenanthro[2,3-d]thiophene"	C20H12S	 MF: 835	 RMF: 861	 Prob 95.6%	 CAS: 248-85-1	 Lib: w9n11	 ID: 422685.	"Hit 2 : 5-(Tolylsulfinyl)-1,3-diiminoisoindoline"	C15H13N3OS	 MF: 682	 RMF: 775	 Prob 2.56%		 Lib: w9n11	 ID: 417870.	Hit 3 : 4H-3-(p-methylanilino)1-benzothiopyran-4-one 1-oxide	C16H13NO2S	 MF: 660	 RMF: 747	 Prob 1.01%	 CAS: 116884-81-2	 Lib: w9n11	 ID: 418088.	2720000	2760000	2680000	2360000	2440000	2630000	2610000	2630000	2630000	2720000	2620000	2740000	2600000	21.37517522	21.39623684	21.35380157	21.17035543	21.21844972	21.32663137	21.31561838	21.32663137	21.32663137	21.37517522	21.32113538	21.38574446	21.31008019	21.37507121	21.23847884	21.32296037	1.006431363	0.06467017	0	0	1	1	1.002443884	0.06467017	0	0	1	1	2	black	black
met199	50751	1	670	4146	13.941	265.019348	-513	"Hit 1 : syn-(2R,3R)-2-Methyl-1-(4-(phenylsulfanyl)-3,4,5,6-tetrahydro-2H-pyran-4-yl)propane-1,3-diol"	C15H22O3S	 MF: 741	 RMF: 750	 Prob 40.6%		 Lib: w9n11	 ID: 414836.	"Hit 2 : syn-(1RS,2SR)-2-Methyl-1-(4-phenylsulfanyl-3,4,5,6-tetrahydro-2H-pyran-4-yl)propane-1,3-diol"	C15H22O3S	 MF: 741	 RMF: 750	 Prob 40.6%		 Lib: w9n11	 ID: 414838.	Hit 3 : 1-(o-xylyl)anthracene	C22H18	 MF: 698	 RMF: 703	 Prob 8.95%		 Lib: w9n11	 ID: 417018.	6290000	6210000	6370000	6710000	6680000	6510000	6480000	6470000	6410000	6310000	6500000	6270000	6540000	22.58462859	22.56616184	22.60286194	22.67788134	22.67141667	22.63422611	22.62756238	22.62533428	22.61189293	22.58920857	22.63200829	22.58003401	22.64085921	22.58455079	22.66117471	22.62159653	0.996618714	0.06467017	0	0	1	1	0.998362373	0.06467017	0	0	1	1	2	black	black
met200	20333	1	27	4146	13.941	281.050934	105	"Hit 1 : 1-[(1'S,2'S)-1'-Phenyl-1',3'-dihydroxy-2-propyl]-3(R)-phthalimido-4(S)-styrylazetidin-2-one"	C28H23N3O7	 MF: 987	 RMF: 996	 Prob 19.9%		 Lib: w9n11	 ID: 775513.	"Hit 2 : 1-(1,2-Dimethyl-1H-imidazol-4-yl)-7-(dimethyl-1,1,dimethylethylsiloxy)-1-heptanone"	C18H34N2O2Si	 MF: 976	 RMF: 986	 Prob 13.6%		 Lib: w9n11	 ID: 560323.	"Hit 3 : 3,3-Dibenzyl-5-(phenylthio)-2(3H)-furanone"	C24H20O2S	 MF: 974	 RMF: 984	 Prob 12.6%		 Lib: w9n11	 ID: 631533.	7450000	8210000	6600000	8090000	8320000	7680000	6810000	4300000	8120000	4090000	3620000	8030000	7930000	22.82880899	22.96895079	22.65403459	22.94770827	22.9881521	22.87267488	22.69922337	22.03590523	22.9530483	21.96366941	21.78755827	22.93696856	22.91888944	22.81726479	22.93617842	22.56272563	0.994815456	0.06467017	0	0	1	1	1.011281401	0.06467017	0	0	1	1	2	black	black
met201	38040	1	33	4198	14.115	97.100929	-733	Hit 1 : 1-Acetyl-2-(butanoyl)ethylene	C8H12O2	 MF: 747	 RMF: 883	 Prob 45.3%		 Lib: w9n11	 ID: 50444.	Hit 2 : 1-Acetyl-2-(propanoyl)ethylene	C7H10O2	 MF: 723	 RMF: 842	 Prob 15.2%		 Lib: w9n11	 ID: 31053.	"Hit 3 : Hept-2-ene, 2,4,4,6-tetramethyl-"	C11H22	 MF: 721	 RMF: 785	 Prob 14.0%	 CAS: 103982-58-7	 Lib: w9n11	 ID: 77141.	161130	125781	195983	117257	135676	140964	189361	200095	305397	175465	166194	146912	145351	17.2978656	16.94055449	17.58036899	16.83931453	17.04980602	17.10496724	17.5307797	17.61032559	18.22032636	17.42082376	17.34250877	17.16459272	17.14918147	17.27292969	16.99802926	17.78714389	1.016172488	0.066579461	0	0	1	1	0.971090682	0.066579461	0	0	1	1	2	black	black
met202	38270	1	80	4212	14.162	57.069317	-143	"Hit 1 : Heptane, 2,2,4,6,6-pentamethyl-"	C12H26	 MF: 883	 RMF: 899	 Prob 29.1%	 CAS: 13475-82-6	 Lib: replib	 ID: 6292.	"Hit 2 : Heptane, 2,2,4,6,6-pentamethyl-"	C12H26	 MF: 883	 RMF: 899	 Prob 29.1%	 CAS: 13475-82-6	 Lib: w9n11	 ID: 110462.	"Hit 3 : Heptane, 2,2,4,6,6-pentamethyl- (CAS)"	C12H26	 MF: 883	 RMF: 899	 Prob 29.1%	 CAS: 13475-82-6	 Lib: w9n11	 ID: 110464.	2370000	2530000	2130000	2700000	3140000	3790000	5280000	4740000	4560000	2270000	2160000	2640000	2840000	21.17645563	21.27070595	21.022422	21.36452798	21.58233313	21.85376642	22.3321065	22.17645563	22.12060239	21.11426087	21.04259988	21.3321065	21.4374595	21.15652786	21.60020917	22.20972151	0.979459397	0.10403119	0	0	0	0	0.95257961	0.10403119	0	0	0	0	0	black	black
met23	46094	0.984094	74	4223	14.199	81.041344	-1008	"Hit 1 : Cyclohexene, 4-(1,1-dimethylethyl)-"	C10H18	 MF: 607	 RMF: 618	 Prob 16.3%	 CAS: 2228-98-0	 Lib: mainlib	 ID: 23603.	"Hit 2 : Cyclohexene, 4-(1,1-dimethylethyl)-"	C10H18	 MF: 607	 RMF: 618	 Prob 16.3%	 CAS: 2228-98-0	 Lib: w9n11	 ID: 48124.	"Hit 3 : 1-Propanone, 1-[2-methyl-5-(1-methylethyl)-2-cyclohexen-1-yl]-"	C13H22O	 MF: 571	 RMF: 610	 Prob 4.02%	 CAS: 31375-17-4	 Lib: mainlib	 ID: 50051.	158672	160863	123915	111536	155780	127996	343028	217668	195990	97493	117831	150965	138981	17.27568804	17.29547301	16.91899131	16.76714991	17.2491505	16.9657392	18.38796682	17.7317698	17.58042052	16.57301102	16.84635962	17.20385459	17.08452814	17.16338412	16.9940132	17.90005238	1.009966505	0.065556031	0	0	1	1	0.958845469	0.065556031	0	0	1	1	2	black	black
met28	31704	0.997516	54	4244	14.27	55.054146	-389	"Hit 1 : Cyclooctane, 1,2-dimethyl-"	C10H20	 MF: 851	 RMF: 871	 Prob 11.9%	 CAS: 13151-94-5	 Lib: w9n11	 ID: 51482.	"Hit 2 : Cyclooctane, 1,2-dimethyl-"	C10H20	 MF: 851	 RMF: 871	 Prob 11.9%	 CAS: 13151-94-5	 Lib: mainlib	 ID: 19134.	Hit 3 : Cyclodecane	C10H20	 MF: 846	 RMF: 865	 Prob 9.57%	 CAS: 293-96-9	 Lib: replib	 ID: 4651.	315392	261474	351892	212288	278529	324720	663914	554744	737393	246342	233094	218013	270897	18.26678654	17.99630797	18.42477319	17.6956633	18.08746802	18.30883672	19.34063685	19.08146263	19.4920742	17.9103031	17.83055234	17.73405464	18.04738489	18.22928923	18.03065601	19.30472456	1.011016417	0.065383426	0	0	1	1	0.9442916	0.065383426	0	0	1	1	2	black	black
met203	39160	1	41	4259	14.32	105.068863	-151	Hit 1 : x - ethyl - x - methyl - benzene	C9H12	 MF: 891	 RMF: 972	 Prob 21.9%	 CAS: 25551-13-7	 Lib: w9n11	 ID: 25953.	"Hit 2 : Benzene, 1,2,3-trimethyl- (CAS)"	C9H12	 MF: 874	 RMF: 916	 Prob 12.0%	 CAS: 526-73-8	 Lib: w9n11	 ID: 25856.	Hit 3 : unidentified C3-benzene	C9H12	 MF: 871	 RMF: 907	 Prob 10.6%		 Lib: w9n11	 ID: 25991.	219816	205828	228089	194906	203303	182544	332341	277490	419879	201942	199514	185503	197097	17.74593688	17.65107973	17.79923735	17.57241898	17.63327198	17.47788472	18.34230476	18.08207626	18.67961411	17.62358147	17.60613046	17.50108299	17.58854629	17.73208465	17.56119189	18.36799837	1.009731273	0.06467017	0	0	1	1	0.965379258	0.06467017	0	0	1	1	2	black	black
met204	30994	1	76	4295	14.441	57.069393	-138	"Hit 1 : 1-Propene, 2-methyl-, trimer (CAS)"	C12H24	 MF: 876	 RMF: 876	 Prob 57.0%	 CAS: 7756-94-7	 Lib: w9n11	 ID: 105632.	"Hit 2 : Heptane, 2,2,6,6-tetramethyl-4-methylene-"	C12H24	 MF: 855	 RMF: 876	 Prob 24.3%	 CAS: 141-70-8	 Lib: w9n11	 ID: 105719.	"Hit 3 : Heptane, 2,2,6,6-tetramethyl-4-methylene-"	C12H24	 MF: 855	 RMF: 876	 Prob 24.3%	 CAS: 141-70-8	 Lib: w9n11	 ID: 105720.	4990000	3750000	6170000	4370000	4400000	4200000	5980000	5930000	7900000	5580000	5510000	4700000	4370000	22.25060838	21.83845916	22.55683906	22.05920185	22.06907209	22.0019579	22.51171405	22.49960067	22.91342122	22.41183369	22.39362089	22.16422933	22.05920185	22.2153022	22.04341061	22.64157865	1.007797867	0.091963143	0	0	1	1	0.981172848	0.091963143	0	0	1	1	2	black	black
met205	58999	1	63	4311	14.494	266.999786	-117	Hit 1 : 2-[2'-(p-Chlorophenyl)-1'-methylethenyl]-benzimidazole	C16H13ClN2	 MF: 870	 RMF: 871	 Prob 29.3%		 Lib: w9n11	 ID: 375967.	Hit 2 : 5-Chloro-3-(p-ethylphernyl)-2-nitrothiophene	C12H10ClNO2S	 MF: 866	 RMF: 867	 Prob 24.8%		 Lib: w9n11	 ID: 372007.	"Hit 3 : 2-(2-Pyridyl)-3-(trimethylsilyl)-5,6,7,8-tetrahydroquinoline"	C17H22N2Si	 MF: 861	 RMF: 867	 Prob 19.9%		 Lib: w9n11	 ID: 415918.	378697	417095	521418	234106	188907	197651	320337	324402	219795	208937	209625	202997	248098	18.53068447	18.67001649	18.99208086	17.83680238	17.52731664	17.59259573	18.28923092	18.30742319	17.74579904	17.67270847	17.67745126	17.63109888	17.92055058	18.73092727	17.65223825	18.11415105	1.061107776	0.06467017	0	0	1	1	1.034049414	0.06467017	0	0	1	1	2	black	black
met206	38271	1	60	4360	14.659	57.069561	-359	"Hit 1 : 1-Decanol, 2-ethyl-"	C12H26O	 MF: 838	 RMF: 846	 Prob 8.37%	 CAS: 21078-65-9	 Lib: mainlib	 ID: 24117.	"Hit 2 : 1-Decanol, 2-ethyl-"	C12H26O	 MF: 838	 RMF: 846	 Prob 8.37%	 CAS: 21078-65-9	 Lib: w9n11	 ID: 147064.	"Hit 3 : 1-Decanol, 2-ethyl- (CAS)"	C12H26O	 MF: 838	 RMF: 846	 Prob 8.37%	 CAS: 21078-65-9	 Lib: w9n11	 ID: 147065.	527044	450983	540576	355737	419081	587035	1100000	1010000	1300000	425852	407177	337358	448156	19.00756388	18.78271353	19.04413794	18.44045151	18.67686959	19.163087	20.06907209	19.94592386	20.31008019	18.6999926	18.63529655	18.36392085	18.77364149	18.94480512	18.76013603	20.10835872	1.009843696	0.066607529	0	0	1	1	0.942135824	0.066607529	0	0	1	1	2	black	black
met207	42777	1	22	4375	14.709	122.083427	-172	Hit 1 : Diethyl 2-(m-methoxybenzyl)malonate	C15H22O5	 MF: 838	 RMF: 978	 Prob 75.2%		 Lib: w9n11	 ID: 414957.	"Hit 2 : 1-methoxymethyl-3,4-dimethylcyclohex-3-ene"	C10H18O	 MF: 775	 RMF: 800	 Prob 12.6%	 CAS: 87412-53-1	 Lib: w9n11	 ID: 76569.	Hit 3 : 9-Acetoxy-1-chlorobicyclo[3.3.1]nonane	C11H17ClO2	 MF: 753	 RMF: 883	 Prob 4.98%		 Lib: w9n11	 ID: 224769.	65904	62923	58966	44049	45180	48078	119276	114045	132233	48209	49789	49320	50377	16.00807841	15.94129984	15.84759571	15.42682165	15.46339665	15.55308926	16.86394426	16.79924367	17.01272273	15.55701488	15.60353942	15.58988518	15.62047759	15.93232465	15.48110252	16.89197022	1.029146641	0.06467017	0	0	1	1	0.943189246	0.06467017	0	0	1	1	2	black	black
met208	30888	1	60	4401	14.796	67.05407	-625	Hit 1 : Octanal	C8H16O	 MF: 766	 RMF: 772	 Prob 22.1%	 CAS: 124-13-0	 Lib: replib	 ID: 2875.	Hit 2 : Octanal	C8H16O	 MF: 766	 RMF: 772	 Prob 22.1%	 CAS: 124-13-0	 Lib: w9n11	 ID: 34169.	Hit 3 : Octanal (CAS)	C8H16O	 MF: 761	 RMF: 767	 Prob 22.1%	 CAS: 124-13-0	 Lib: w9n11	 ID: 34148.	183811	197918	140972	103723	141670	157009	169793	183301	175288	136095	268126	128307	151497	17.48786358	17.5945433	17.10504912	16.66237631	17.11217476	17.26048773	17.37341746	17.48385513	17.41936771	17.05425454	18.0325516	16.96924036	17.2089297	17.39581867	17.0116796	17.42554677	1.022580902	0.068262346	0	0	1	1	0.998293993	0.068262346	0	0	1	1	2	black	black
met209	36527	1	62	4427	14.884	97.100037	327	"Hit 1 : 3-Heptene, 2,2,4,6,6-pentamethyl-"	C12H24	 MF: 907	 RMF: 922	 Prob 90.9%	 CAS: 123-48-8	 Lib: mainlib	 ID: 26136.	"Hit 2 : 3-Heptene, 2,2,4,6,6-pentamethyl-"	C12H24	 MF: 907	 RMF: 922	 Prob 90.9%	 CAS: 123-48-8	 Lib: w9n11	 ID: 105717.	"Hit 3 : 1-Propene, 2-methyl-, trimer (CAS)"	C12H24	 MF: 786	 RMF: 786	 Prob 4.63%	 CAS: 7756-94-7	 Lib: w9n11	 ID: 105632.	8150000	7500000	8300000	7750000	7800000	7770000	8290000	8270000	8330000	8260000	8240000	8060000	7510000	22.95836863	22.83845916	22.98467991	22.88576488	22.89504269	22.88948317	22.98294067	22.9794559	22.98988506	22.97771035	22.97421291	22.94234841	22.84038148	22.92716923	22.89009691	22.98409388	1.001619579	0.069963629	0	0	1	1	0.997523303	0.069963629	0	0	1	1	2	black	black
met210	64967	1	33	4441	14.93	348.967926	-371	"Hit 1 : 1-Benzoyl-5-phenyl-3H-pyrrolo[2,1,5-de]quinolizin-3-one"	C24H15NO2	 MF: 819	 RMF: 825	 Prob 18.1%		 Lib: w9n11	 ID: 585759.	"Hit 2 : 1-Benzoyl-3-phenyl-5H-pyrrolo[2,1,5-de]quinolizin-5-one"	C24H15NO2	 MF: 819	 RMF: 825	 Prob 18.1%		 Lib: w9n11	 ID: 585760.	"Hit 3 : 5-Methyl-2-phenyl-4,6-bis(4-tolyl)pyrimidine"	C25H22N2	 MF: 815	 RMF: 822	 Prob 15.3%		 Lib: w9n11	 ID: 588213.	97922	111504	81648	63270	87799	57130	108541	89181	91990	82169	67631	64440	58073	16.5793454	16.76673594	16.31712993	15.94923398	16.42191689	15.80196091	16.72788058	16.44444876	16.48918942	16.32630659	16.04539707	15.97566887	15.82557994	16.55440376	16.05770392	16.55383958	1.030932183	0.085718761	0	0	1	1	1.000034081	0.085718761	0	0	1	1	2	black	black
met211	36648	1	54	4456	14.981	93.06881	-389	Hit 1 : .DELTA.3-Carene	C10H16	 MF: 855	 RMF: 867	 Prob 13.8%	 CAS: 13466-78-9	 Lib: w9n11	 ID: 45143.	Hit 2 : 3-Carene	C10H16	 MF: 853	 RMF: 859	 Prob 13.8%	 CAS: 13466-78-9	 Lib: w9n11	 ID: 45147.	Hit 3 : 3-Carene	C10H16	 MF: 853	 RMF: 859	 Prob 13.8%	 CAS: 13466-78-9	 Lib: mainlib	 ID: 66203.	828138	670268	995390	620356	685173	636420	1450000	1180000	1770000	784534	782924	630805	744728	19.65951167	19.35437853	19.92490237	19.24273684	19.38610878	19.27961965	20.46762147	20.17035543	20.75531793	19.58147645	19.57851274	19.26683457	19.50635407	19.64626419	19.30282175	20.46443161	1.017792344	0.06467017	0	0	1	1	0.960020027	0.06467017	0	0	1	1	2	black	black
met212	61475	1	34	4473	15.038	281.051086	-197	"Hit 1 : 9-(Methylthio)-8H-acenaphtho[1,2-c]pyrrole-7-carboxylic Acid"	C16H11NO2S	 MF: 873	 RMF: 899	 Prob 21.7%		 Lib: w9n11	 ID: 412343.	"Hit 2 : 2-methoxy[1]benzothieno[2,3-c]quinolin-6(5H)-one"	C16H11NO2S	 MF: 865	 RMF: 891	 Prob 16.2%	 CAS: 70453-75-7	 Lib: w9n11	 ID: 412332.	"Hit 3 : Methyl 2,3-Dideoxy-4-O-propargyl-6-O-(tert-butyldimethylsilyl)-?-D-erythro-hex-2-enopyranoside"	C16H28O4Si	 MF: 861	 RMF: 886	 Prob 13.7%		 Lib: w9n11	 ID: 496505.	162362	189283	154158	99844	108751	105612	116721	119179	115975	138976	123967	119728	127008	17.30885449	17.53018532	17.23405023	16.60738811	16.73066914	16.68841424	16.83270462	16.86277052	16.82345432	17.08447624	16.9195966	16.86940106	16.95455985	17.35769668	16.6754905	16.83964316	1.040910712	0.06467017	0	0	1	1	1.030763925	0.06467017	0	0	1	1	2	black	black
met213	62106	1	19	4505	15.145	270.974396	-1008	Hit 1 : Ethyl 3-(2-Furoyl)-5-(cyclopentylcarbonyl)-2-propionylbenzoate	C23H24O6	 MF: 612	 RMF: 774	 Prob 47.1%		 Lib: w9n11	 ID: 670074.	Hit 2 : CARBAZOMADURIN B	C23H29NO3	 MF: 589	 RMF: 589	 Prob 17.2%		 Lib: w9n11	 ID: 621247.	Hit 3 : N-Ethyl-4-trimethylsilylmethylbenzenesulfonamide	C12H21NO2SSi	 MF: 550	 RMF: 829	 Prob 4.05%		 Lib: w9n11	 ID: 383814.	21118	20225	17537	11730	14837	12848	22890	18461	16760	16195	20377	17705	18078	14.36618559	14.30385208	14.09811435	13.51791539	13.85691179	13.64925618	14.48242984	14.17219308	14.03273453	13.98326085	14.31465405	14.11186922	14.14194746	14.25605067	13.67469445	14.22911915	1.042513288	0.06467017	0	0	1	1	1.001892705	0.06467017	0	0	1	1	2	black	black
met214	36467	1	72	4521	15.199	97.100204	-223	"Hit 1 : 3-Heptene, 2,2,3,5,6-pentamethyl-"	C12H24	 MF: 812	 RMF: 814	 Prob 66.6%	 CAS: 116164-06-8	 Lib: mainlib	 ID: 36228.	"Hit 2 : 3-Heptene, 2,2,3,5,6-pentamethyl-"	C12H24	 MF: 811	 RMF: 814	 Prob 66.6%	 CAS: 116164-06-8	 Lib: w9n11	 ID: 105731.	"Hit 3 : 3-Heptene, 2,2,4,6,6-pentamethyl-"	C12H24	 MF: 772	 RMF: 848	 Prob 15.4%	 CAS: 123-48-8	 Lib: mainlib	 ID: 26136.	1800000	1290000	2280000	1370000	1390000	1360000	2250000	2140000	3490000	2000000	1900000	1620000	1520000	20.77956548	20.29893963	21.12060239	20.38574446	20.40665345	20.37517522	21.10149357	21.02917937	21.73479561	20.93156857	20.85756799	20.62756238	20.53563989	20.73303583	20.38919105	21.28848951	1.016864072	0.066894347	0	0	1	1	0.973908263	0.066894347	0	0	1	1	2	black	black
met215	62255	1	20	4529	15.226	97.129379	-136	"Hit 1 : Diethyl 3-(2,6,6-trimethyl-2-cyclohexenyl)-5-methyl-3,4-dihydro-2H-pyrrol-2,2-dicarboxylate"	C20H31NO4	 MF: 829	 RMF: 988	 Prob 77.8%		 Lib: w9n11	 ID: 585384.	"Hit 2 : 3-O-Benzoyl-1,2-isopropylidene-4,5-ethenyl-?L-idofuranose"	C16H18O5	 MF: 746	 RMF: 910	 Prob 7.62%		 Lib: w9n11	 ID: 437630.	"Hit 3 : 8,9,10,11-tetrahydro-1-phenyl-3H-2,4-diazacyclohepta[i,j]naphthalen-3-one"	C18H16N2O	 MF: 718	 RMF: 906	 Prob 2.20%	 CAS: 111114-01-3	 Lib: w9n11	 ID: 399295.	144209	116192	149759	500	124099	500	119855	123817	500	500	500	500	500	17.13780168	16.82615121	17.19228318	8.965784285	16.92113196	8.965784285	16.87093057	16.91784988	8.965784285	8.965784285	8.965784285	8.965784285	8.965784285	17.05207869	11.61756684	14.25152158	1.467783996	0.316918673	1	0	0	1	1.196509341	0.316918673	1	0	0	1	2	black	black
met216	42954	1	72	4564	15.343	69.069122	-539	"Hit 1 : cis,cis,cis-1-Isobutyl-2,5-dimethylcyclohexane"	C12H24	 MF: 777	 RMF: 801	 Prob 12.3%		 Lib: mainlib	 ID: 36017.	"Hit 2 : cis,cis,cis-1-Isobutyl-2,5-dimethylcyclohexane"	C12H24	 MF: 777	 RMF: 801	 Prob 12.3%		 Lib: w9n11	 ID: 105715.	"Hit 3 : CYCLOHEXANE, 1-ETHYL-1,3-DIMETHYL-, CISC10H20?"	MF: 775	 RMF: 794	 Prob 11.3%	 CAS: 62238-31-7		 Lib: w9n11	 ID: 51448.	1700000	1220000	2070000	1310000	1350000	1290000	2140000	2060000	3290000	1870000	1800000	1530000	1430000	20.69710332	20.21844972	20.98119934	20.32113538	20.36452798	20.29893963	21.02917937	20.97421291	21.64965615	20.83460684	20.77956548	20.54510022	20.44758372	20.63225079	20.328201	21.21768281	1.014957044	0.066579461	0	0	1	1	0.972408296	0.066579461	0	0	1	1	2	black	black
met217	49303	1	44	4580	15.397	154.171005	216	"Hit 1 : 3,4-Dicyanostyrene"	C10H6N2	 MF: 913	 RMF: 957	 Prob 56.6%		 Lib: w9n11	 ID: 75568.	Hit 2 : 3-(4-Cyanophenyl)-3-methylbut-1-yne	C12H11N	 MF: 898	 RMF: 941	 Prob 34.3%		 Lib: w9n11	 ID: 107000.	Hit 3 : 2-deutero-1-cyano-naphthalene	C11H6DN	 MF: 848	 RMF: 978	 Prob 6.97%	 CAS: 103408-18-0	 Lib: w9n11	 ID: 73622.	19080	12996	22617	15389	16695	16249	25791	24967	40666	20532	20102	16964	17393	14.21977355	13.66578003	14.46511996	13.90961187	14.02712847	13.98806331	14.65458009	14.60773486	15.31153547	14.32558655	14.29505143	14.05018877	14.08621917	14.11689118	13.97493455	14.85795014	1.010157946	0.066579461	0	0	1	1	0.950123742	0.066579461	0	0	1	1	2	black	black
met218	39163	1	46	4605	15.481	105.069016	-441	Hit 1 : x - ethyl - x - methyl - benzene	C9H12	 MF: 743	 RMF: 934	 Prob 25.4%	 CAS: 25551-13-7	 Lib: w9n11	 ID: 25953.	Hit 2 : x - ethyl - x - methyl - benzene	C9H12	 MF: 738	 RMF: 900	 Prob 25.4%	 CAS: 25551-13-7	 Lib: w9n11	 ID: 25954.	"Hit 3 : Benzene, 1,2,4-trimethyl- (CAS)"	C9H12	 MF: 731	 RMF: 865	 Prob 16.9%	 CAS: 95-63-6	 Lib: w9n11	 ID: 25866.	94370	84029	101467	77317	84516	74726	124716	111683	146339	77140	84006	82103	84846	16.52604068	16.35859969	16.63065107	16.23849804	16.36693687	16.18932268	16.92828704	16.76905007	17.15895478	16.23519153	16.35820475	16.32514732	16.37255903	16.50509715	16.2649192	16.9520973	1.014766625	0.06467017	0	0	1	1	0.973631573	0.06467017	0	0	1	1	2	black	black
met219	62141	1	53	4621	15.534	207.03215	-1558	"Hit 1 : 5-[p-(Trifluoromethyl)phenyl]-5,6-dihydro-11H-dibenzo[b,e]azepine-6,11-dione"	C21H12F3NO2	 MF: 510	 RMF: 842	 Prob 34.9%		 Lib: w9n11	 ID: 620825.	"Hit 2 : 1,1,1,3,5,5,5-Heptamethyltrisiloxane"	C7H22O2Si3	 MF: 488	 RMF: 821	 Prob 13.8%	 CAS: 1873-88-7	 Lib: mainlib	 ID: 188643.	"Hit 3 : 1,1,1,3,5,5,5-Heptamethyltrisiloxane"	C7H22O2Si3	 MF: 488	 RMF: 820	 Prob 13.8%	 CAS: 1873-88-7	 Lib: w9n11	 ID: 240926.	143966	141149	129525	83147	111614	104847	126096	132008	135913	71703	131569	113951	132103	17.13536861	17.10685938	16.98287106	16.34337659	16.76815847	16.67792606	16.94416299	17.01026584	17.05232393	16.12974586	17.00546008	16.79805406	17.0113037	17.07503302	16.59648704	17.00225092	1.028834173	0.06467017	0	0	1	1	1.004280733	0.06467017	0	0	1	1	2	black	black
met220	38048	1	61	4637	15.588	69.069229	-984	Hit 1 : (E)-3-methyl-4-nonenal	C10H18O	 MF: 709	 RMF: 848	 Prob 17.7%	 CAS: 80816-32-6	 Lib: w9n11	 ID: 76591.	Hit 2 : (Z)-3-methyl-4-nonenal	C10H18O	 MF: 701	 RMF: 840	 Prob 13.2%	 CAS: 79090-96-3	 Lib: w9n11	 ID: 76592.	"Hit 3 : Cyanamide, dibutyl-"	C9H18N2	 MF: 699	 RMF: 731	 Prob 12.2%	 CAS: 2050-54-6	 Lib: replib	 ID: 8649.	477171	338868	550712	351365	364074	363828	632476	594829	988331	498076	471993	435956	399335	18.86414684	18.37036388	19.07093852	18.42261096	18.47387219	18.47289705	19.27065121	19.18211546	19.91463477	18.92600637	18.84840594	18.73382301	18.60724	18.76848308	18.45646007	19.45580048	1.016905897	0.06467017	0	0	1	1	0.96467288	0.06467017	0	0	1	1	2	black	black
met16	32104	0.946422	56	4641	15.602	57.069805	-1576	Hit 1 : Triallylsilane	C9H16Si	 MF: 680	 RMF: 718	 Prob 5.56%	 CAS: 1116-62-7	 Lib: w9n11	 ID: 70914.	Hit 2 : Triallylsilane	C9H16Si	 MF: 680	 RMF: 718	 Prob 5.56%	 CAS: 1116-62-7	 Lib: mainlib	 ID: 35470.	"Hit 3 : 1-Decanol, 2-hexyl-"	C16H34O	 MF: 679	 RMF: 682	 Prob 5.34%	 CAS: 2425-77-6	 Lib: mainlib	 ID: 24720.	271120	206365	365531	211957	231013	239325	435524	403962	643786	308505	302217	255944	253824	18.04857202	17.65483878	18.47963424	17.69341209	17.81761451	17.86861158	18.7323927	18.62386006	19.29622168	18.23493435	18.20522529	17.96546866	17.95346896	18.06101501	17.79321273	18.88415815	1.015050811	0.065383426	0	0	1	1	0.956410917	0.065383426	0	0	1	1	2	black	black
met221	4946	1	19	4661	15.669	83.085495	-1449	Hit 1 : (+-)-3-Hydroxy-2-methylenepentanoic acid	C6H10O3	 MF: 575	 RMF: 766	 Prob 46.0%		 Lib: w9n11	 ID: 36310.	"Hit 2 : Cyclopentanecarboxylic acid, 1-methyl-"	C7H12O2	 MF: 562	 RMF: 572	 Prob 29.7%	 CAS: 5217-05-0	 Lib: w9n11	 ID: 33837.	"Hit 3 : Cyclopentanecarboxylic acid, 1-methyl-"	C7H12O2	 MF: 562	 RMF: 572	 Prob 29.7%	 CAS: 5217-05-0	 Lib: mainlib	 ID: 52154.	500	103652	187551	96919	101302	500	181896	153248	249253	132336	132832	500	113950	8.965784285	16.66138843	17.51692343	16.5644919	16.62830313	8.965784285	17.47275429	17.22550872	17.92725134	17.01384605	17.01924322	8.965784285	16.7980414	14.38136538	14.05285977	17.54183812	1.023376424	0.069963629	0	0	1	1	0.819832294	0.069963629	0	1	1	2	3	black	red
met222	36469	1	61	4669	15.695	119.084648	-217	"Hit 1 : Benzene, 1-methyl-4-(1-methylethyl)- (CAS)"	C10H14	 MF: 871	 RMF: 929	 Prob 18.8%	 CAS: 99-87-6	 Lib: w9n11	 ID: 41722.	Hit 2 : o-Cymene	C10H14	 MF: 869	 RMF: 903	 Prob 17.3%	 CAS: 527-84-4	 Lib: replib	 ID: 18731.	Hit 3 : o-Cymene	C10H14	 MF: 869	 RMF: 903	 Prob 17.3%	 CAS: 527-84-4	 Lib: w9n11	 ID: 41691.	575468	473240	734760	495604	622273	598007	530978	445387	640226	1390000	666342	639770	693389	19.13437618	18.8522125	19.48691356	18.91882831	19.24718812	19.18980285	19.01829256	18.76469992	19.28822174	20.40665345	19.3459033	19.28719382	19.40330542	19.15783408	19.11860643	19.02373808	1.002051805	0.082416844	0	0	1	1	1.007048878	0.082416844	0	0	1	1	2	black	black
met223	43205	1	37	4708	15.826	125.131943	-172	Hit 1 : 1-Trimethylsilyl-1-pentyn-3-one	C8H14OSi	 MF: 784	 RMF: 801	 Prob 72.5%		 Lib: w9n11	 ID: 74694.	"Hit 2 : Isomer A of 1-Butyl-2,3,6-trimethylcyclohexane"	C13H26	 MF: 692	 RMF: 746	 Prob 6.06%		 Lib: w9n11	 ID: 137711.	Hit 3 : 4-Trimethylsilyl-3-butyn-2-one	C7H12OSi	 MF: 678	 RMF: 703	 Prob 3.79%	 CAS: 5930-98-3	 Lib: w9n11	 ID: 49922.	78390	61412	93536	65448	68368	63842	104413	100125	156635	91731	87978	77007	71497	16.258382	15.90623297	16.51323411	15.99806149	16.0610336	15.96221823	16.67194182	16.61144272	17.25704709	16.48512175	16.42485518	16.23270197	16.12559509	16.2259497	16.00710444	16.84681054	1.013671758	0.06467017	0	0	1	1	0.963146683	0.06467017	0	0	1	1	2	black	black
met224	34342	1	86	4730	15.9	97.100121	-520	"Hit 1 : 4,4-Dimethyl-1-hydroxy-2-cyclopentene"	C7H12O	 MF: 788	 RMF: 954	 Prob 19.4%	 CAS: 68757-99-3	 Lib: w9n11	 ID: 18073.	"Hit 2 : trans-3,4,4-Trimethyl-2-pentene"	C8H16	 MF: 784	 RMF: 844	 Prob 16.3%	 CAS: 39761-64-3	 Lib: w9n11	 ID: 18724.	"Hit 3 : Z-3,4,4-Trimethyl-2-pentene"	C8H16	 MF: 780	 RMF: 838	 Prob 16.3%	 CAS: 39761-64-3	 Lib: w9n11	 ID: 18723.	4730000	3690000	5860000	3990000	3950000	3770000	5860000	5620000	7680000	5420000	5280000	4670000	4360000	22.17340875	21.81518939	22.48246923	21.92795732	21.91342122	21.84613309	22.48246923	22.4221387	22.87267488	22.36986142	22.3321065	22.15499112	22.0558967	22.15702246	21.89583721	22.5924276	1.011928534	0.081319937	0	0	1	1	0.980727828	0.081319937	0	0	1	1	2	black	black
met225	46097	1	39	4739	15.93	96.085968	-231	Hit 1 : (Z)-(5R)-3-(2-phenylthioethylidene)-4-oxa-1-azabicyclo[3.2.0]heptan-7-one	C13H13NO2S	 MF: 669	 RMF: 781	 Prob 78.2%		 Lib: w9n11	 ID: 314508.	"Hit 2 : 2-Methylcyclohexa-2,5-dienecarboxylic acid"	C8H10O2	 MF: 536	 RMF: 947	 Prob 3.08%		 Lib: w9n11	 ID: 47188.	"Hit 3 : (3E,5Z)-tetradeca-3,5,13-trien-2-amine and (3E,5E)-tetradeca-3,5,13-trien-2-amine (3:2 mixture)"	C14H25N	 MF: 533	 RMF: 627	 Prob 2.72%		 Lib: w9n11	 ID: 201607.	112376	141220	166417	96620	500	500	273497	212443	216919	858259	470011	827707	666386	16.77797443	17.1075849	17.34444329	16.56003423	8.965784285	8.965784285	18.06116548	17.69671628	17.7267969	19.71105356	18.842335	19.65876063	19.34599857	17.07666754	11.49720093	17.82822622	1.485289127	0.06467017	1	0	1	2	0.95784445	0.06467017	0	0	1	1	3	red	black
met226	47252	1	44	4741	15.937	84.092606	-1562	"Hit 1 : 4,4-Dimethyl-1,5-cyclohexadienecarbaldehyde"	C9H12O	 MF: 589	 RMF: 853	 Prob 15.7%	 CAS: 97997-08-5	 Lib: w9n11	 ID: 44377.	"Hit 2 : 6-diazo-5-oxocyclohexa-1,3-diene-1-carboxylic acid"	C7H4N2O3	 MF: 578	 RMF: 666	 Prob 10.8%	 CAS: 105918-54-5	 Lib: w9n11	 ID: 93401.	Hit 3 : ?-Phellandrene	C10H16	 MF: 566	 RMF: 735	 Prob 7.18%	 CAS: 99-83-2	 Lib: replib	 ID: 14115.	175961	145146	221959	154845	150622	146597	254517	228572	401873	208505	207133	198404	184676	17.42489618	17.14714529	17.75993368	17.24046527	17.20057298	17.16149605	17.9574025	17.80228916	18.61638013	17.66972245	17.66019789	17.59808159	17.49463686	17.44399172	17.20084477	18.12535726	1.014135756	0.065556031	0	0	1	1	0.962408159	0.065556031	0	0	1	1	2	black	black
met227	31715	1	68	4775	16.051001	57.069721	-778	"Hit 1 : 1-Nonene, 4,6,8-trimethyl-"	C12H24	 MF: 752	 RMF: 777	 Prob 8.02%	 CAS: 54410-98-9	 Lib: w9n11	 ID: 105628.	"Hit 2 : 1-Nonene, 4,6,8-trimethyl- (CAS)"	C12H24	 MF: 752	 RMF: 777	 Prob 8.02%	 CAS: 54410-98-9	 Lib: w9n11	 ID: 105629.	"Hit 3 : 1-Nonene, 4,6,8-trimethyl-"	C12H24	 MF: 752	 RMF: 777	 Prob 8.02%	 CAS: 54410-98-9	 Lib: mainlib	 ID: 6112.	365438	297454	511821	318010	306109	308350	558638	501468	851241	459253	448628	388112	348179	18.47926713	18.18230705	18.96527982	18.27871261	18.22368594	18.23420932	19.09155419	18.93579812	19.69920811	18.80892962	18.77516014	18.56611351	18.40946967	18.54228467	18.24553595	19.24218681	1.016264182	0.066607529	0	0	1	1	0.963626684	0.066607529	0	0	1	1	2	black	black
met228	42881	1	32	4797	16.125	107.061813	-1224	"Hit 1 : Phenol, 3-ethyl- (CAS)"	C8H10O	 MF: 648	 RMF: 837	 Prob 19.8%	 CAS: 620-17-7	 Lib: w9n11	 ID: 27219.	"Hit 2 : 1,2-Benzenediamine, N-methyl-"	C7H10N2	 MF: 642	 RMF: 737	 Prob 15.6%	 CAS: 4760-34-3	 Lib: w9n11	 ID: 27137.	"Hit 3 : 1,2-Benzenediamine, N-methyl-"	C7H10N2	 MF: 642	 RMF: 737	 Prob 15.6%	 CAS: 4760-34-3	 Lib: mainlib	 ID: 104699.	74023	86601	208988	20679	38918	17207	76467	41822	43970	16649	12400	500	500	16.17568599	16.40209606	17.67306058	14.3358788	15.24814995	14.07070797	16.22254965	15.35197444	15.42423191	14.02314791	13.5980525	8.965784285	8.965784285	16.75028088	14.55157891	15.666252	1.151097141	0.06467017	1	0	1	2	1.069195164	0.06467017	0	0	1	1	3	red	black
met229	34915	1	41	4810	16.169001	83.085251	106	Hit 1 : 2-Cyano-2-methyl-1-cyclobutanol	C6H9NO	 MF: 856	 RMF: 929	 Prob 52.2%		 Lib: w9n11	 ID: 17084.	"Hit 2 : 3-ethoxy-4-methyl-3-cyclobutene-1,2-dione"	C7H8O3	 MF: 844	 RMF: 929	 Prob 34.8%	 CAS: 75966-09-5	 Lib: w9n11	 ID: 49796.	Hit 3 : 2-Ethylbutenolide	C6H8O2	 MF: 748	 RMF: 840	 Prob 2.76%	 CAS: 2313-01-1	 Lib: w9n11	 ID: 17616.	297771	193915	405690	192966	204383	215999	390982	358246	676898	326876	323583	302775	269186	18.18384373	17.56506488	18.63001822	17.55798715	17.64091568	17.72066511	18.57674266	18.45059107	19.36857893	18.31838393	18.30377629	18.20788656	18.03824385	18.12630894	17.63985598	18.79863755	1.027576924	0.070476775	0	0	1	1	0.964235248	0.070476775	0	0	1	1	2	black	black
met230	38458	1	14	4826	16.222	130.021881	-101	Hit 1 : tert-Butyl 3-methyl-4-nitrobutyrate	C9H17NO4	 MF: 885	 RMF: 928	 Prob 30.5%		 Lib: w9n11	 ID: 188626.	Hit 2 : 3-[(Z)-2-Propenylidene]-1-isoindolinone	C11H9NO	 MF: 868	 RMF: 928	 Prob 16.6%		 Lib: w9n11	 ID: 111628.	"Hit 3 : 1,2-Naphthalenedione (CAS)"	C10H6O2	 MF: 866	 RMF: 885	 Prob 15.4%	 CAS: 524-42-5	 Lib: w9n11	 ID: 83972.	28149	29838	28547	27362	32079	25792	32453	27869	30550	24965	29318	25178	50621	14.78079605	14.86486322	14.80105152	14.73988607	14.96934155	14.65463603	14.98606423	14.76637362	14.89888476	14.60761929	14.83949907	14.61987607	15.62744839	14.81557026	14.78795455	14.8837742	1.001867447	0.06467017	0	0	1	1	0.995417564	0.06467017	0	0	1	1	2	black	black
met231	65015	1	25	4863	16.346001	83.108688	125	"Hit 1 : (5R,6R)-6-tert-Butyldiphenylsiloxyspiro[4.5]decane-1-one"	C26H34O2Si	 MF: 917	 RMF: 991	 Prob 61.5%		 Lib: w9n11	 ID: 685563.	"Hit 2 : 1-Benzoyl-5-phenyl-3H-pyrrolo[2,1,5-de]quinolizin-3-one"	C24H15NO2	 MF: 873	 RMF: 873	 Prob 13.3%		 Lib: w9n11	 ID: 585759.	"Hit 3 : 1-Benzoyl-3-phenyl-5H-pyrrolo[2,1,5-de]quinolizin-5-one"	C24H15NO2	 MF: 873	 RMF: 873	 Prob 13.3%		 Lib: w9n11	 ID: 585760.	165995	500	127527	500	500	500	187925	150928	193495	115241	70153	64179	500	17.34078026	8.965784285	16.9604432	8.965784285	8.965784285	8.965784285	17.51979748	17.20350095	17.56193676	16.81429456	16.09821718	15.96981369	8.965784285	14.42233592	8.965784285	17.42841173	1.608597247	0.181720263	1	0	0	1	0.82751866	0.181720263	0	1	0	1	2	black	black
met232	43568	1	61	4866	16.356001	97.100296	-521	"Hit 1 : 3-Heptene, 2,2,4,6,6-pentamethyl-"	C12H24	 MF: 734	 RMF: 817	 Prob 55.0%	 CAS: 123-48-8	 Lib: mainlib	 ID: 26136.	"Hit 2 : 3-Heptene, 2,2,4,6,6-pentamethyl-"	C12H24	 MF: 734	 RMF: 817	 Prob 55.0%	 CAS: 123-48-8	 Lib: w9n11	 ID: 105717.	"Hit 3 : cis-2-isopropyl-3,3,4-trimethylcyclopentanone"	C11H20O	 MF: 687	 RMF: 852	 Prob 11.5%	 CAS: 116786-26-6	 Lib: w9n11	 ID: 105228.	6860000	5540000	7670000	5780000	5820000	5680000	7820000	7610000	8300000	7250000	7140000	6570000	6280000	22.70977715	22.40145455	22.87079515	22.46263806	22.47258772	22.4374595	22.89873718	22.85946502	22.98467991	22.78954956	22.76749264	22.64746194	22.58233313	22.66067561	22.45756176	22.91429404	1.009044341	0.103881347	0	0	0	0	0.988931868	0.103881347	0	0	0	0	0	black	black
met233	30670	1	49	4915	16.521	91.053658	-217	Hit 1 : Benzeneethanol (CAS)	C8H10O	 MF: 872	 RMF: 973	 Prob 25.4%	 CAS: 60-12-8	 Lib: w9n11	 ID: 27367.	"Hit 2 : heptane-1,2,4,6-tetraene"	C7H8	 MF: 855	 RMF: 973	 Prob 13.9%	 CAS: 69961-24-6	 Lib: w9n11	 ID: 7257.	"Hit 3 : Tricyclo[4.1.0.0(2,7)]hept-3-ene (CAS)"	C7H8	 MF: 853	 RMF: 971	 Prob 12.8%	 CAS: 35618-58-7	 Lib: w9n11	 ID: 7248.	937050	782926	689331	254524	235561	242518	1650000	1420000	1950000	400470	529019	507319	597834	19.83776651	19.57851643	19.39483737	17.95744217	17.84574118	17.8877323	20.65403459	20.4374595	20.89504269	18.61133465	19.01296001	18.95253367	19.18938542	19.60370677	17.89697189	20.66217893	1.09536445	0.06467017	0	0	1	1	0.948772481	0.06467017	0	0	1	1	2	black	black
met234	65277	1	52	4955	16.655001	270.973724	168	Hit 1 : 1-Benzoyl-benzo[a]quinolizin-4-one	C22H21NO4	 MF: 960	 RMF: 960	 Prob 46.0%		 Lib: w9n11	 ID: 613931.	"Hit 2 : 6-imino-1,5-bis(4-isopropylphenyl)-5,6-dihydro-1,3,5-triazine-2,4-(1H,3H)-dione"	C21H24N4O2	 MF: 943	 RMF: 943	 Prob 25.1%	 CAS: 103890-09-1	 Lib: w9n11	 ID: 615610.	"Hit 3 : 16?,17-Isopropylidenedioxyaphidicolane-3?,18-ol"	C23H38O4	 MF: 905	 RMF: 905	 Prob 6.01%		 Lib: w9n11	 ID: 641736.	115507	119420	92209	82148	81900	83083	91746	90883	85880	102918	99983	134866	95984	16.81762076	16.86568495	16.49261995	16.32593783	16.32157583	16.34226569	16.48535764	16.47172284	16.39003457	16.6511358	16.6093952	17.04116716	16.55050632	16.72530855	16.32992645	16.44903835	1.024212118	0.06467017	0	0	1	1	1.016795523	0.06467017	0	0	1	1	2	black	black
met235	38114	1	76	4956	16.658001	69.068733	-1032	"Hit 1 : 2,6,8-trimethyl-trans-4-nonene"	C12H24	 MF: 688	 RMF: 701	 Prob 5.74%		 Lib: w9n11	 ID: 105739.	Hit 2 : 3-Trifluoroacetoxy-6-ethyldecane	C14H25F3O2	 MF: 687	 RMF: 701	 Prob 5.52%	 CAS: 116436-59-0	 Lib: mainlib	 ID: 25132.	Hit 3 : 3-Trifluoroacetoxy-6-ethyldecane	C14H25F3O2	 MF: 687	 RMF: 701	 Prob 5.52%	 CAS: 116436-59-0	 Lib: w9n11	 ID: 414606.	936043	684626	1080000	674715	647333	641905	1360000	1140000	2020000	894256	873020	809457	804592	19.83621528	19.38495656	20.04259988	19.36391871	19.30414853	19.29200027	20.37517522	20.12060239	20.94592386	19.77032837	19.73565518	19.62659492	19.61789787	19.75459057	19.3200225	20.48056716	1.022493145	0.066579461	0	0	1	1	0.964552906	0.066579461	0	0	1	1	2	black	black
met236	62180	1	26	4957	16.662001	69.0942	-671	Hit 1 : AZOPHOSPHATRIPTYCENE	C18H12NP	 MF: 648	 RMF: 809	 Prob 59.0%	 CAS: 24942-19-6	 Lib: w9n11	 ID: 390784.	"Hit 2 : 3-Methylbenzo[2,3]phenanthro[4,5-bcd]thiophene"	C19H12S	 MF: 625	 RMF: 776	 Prob 21.5%	 CAS: 89817-25-4	 Lib: w9n11	 ID: 388558.	"Hit 3 : 4-(m-tolyl)amino-pyrrolo[1,2-a]quinoxaline"	C18H15N3	 MF: 573	 RMF: 739	 Prob 4.30%	 CAS: 128103-13-9	 Lib: w9n11	 ID: 390792.	188083	205553	192075	195431	93306	178971	166073	194015	186427	186817	190651	204538	205094	17.52100993	17.6491509	17.55131023	17.57629981	16.50968224	17.44936631	17.34145801	17.56580867	17.50825129	17.51126622	17.54057457	17.64200937	17.64592576	17.57382369	17.17844945	17.47183933	1.023015711	0.066579461	0	0	1	1	1.005837071	0.066579461	0	0	1	1	2	black	black
met237	23741	1	51	4992	16.778999	270.974152	144	Hit 1 : 1-Benzoyl-benzo[a]quinolizin-4-one	C22H21NO4	 MF: 953	 RMF: 962	 Prob 50.6%		 Lib: w9n11	 ID: 613931.	"Hit 2 : 6-imino-1,5-bis(4-isopropylphenyl)-5,6-dihydro-1,3,5-triazine-2,4-(1H,3H)-dione"	C21H24N4O2	 MF: 939	 RMF: 949	 Prob 31.7%	 CAS: 103890-09-1	 Lib: w9n11	 ID: 615610.	"Hit 3 : 16?,17-Isopropylidenedioxyaphidicolane-3?,18-ol"	C23H38O4	 MF: 896	 RMF: 905	 Prob 6.98%		 Lib: w9n11	 ID: 641736.	75729	76124	60000	33546	74101	36041	52611	40917	44955	41109	55730	48720	57918	16.20855826	16.21606375	15.87267488	15.03385313	16.17720539	15.13735142	15.68307685	15.32041275	15.45619396	15.32716666	15.76616653	15.57222651	15.82172416	16.09909896	15.44946998	15.48656119	1.042048626	0.06467017	0	0	1	1	1.039552859	0.06467017	0	0	1	1	2	black	black
met238	49315	1	20	4994	16.785999	154.170898	-752	Hit 1 : 3-tert-Butyl-2-methylcyclopentanone	C10H18O	 MF: 728	 RMF: 868	 Prob 27.3%		 Lib: w9n11	 ID: 76831.	Hit 2 : 1-Fluoroadamantane	C10H15F	 MF: 718	 RMF: 852	 Prob 19.2%	 CAS: 768-92-3	 Lib: w9n11	 ID: 75579.	"Hit 3 : 3-t-Butyl-2,3-dihydro-2-furanaldehyde"	C9H14O2	 MF: 701	 RMF: 853	 Prob 10.5%	 CAS: 63711-15-9	 Lib: w9n11	 ID: 74823.	21660	15073	23612	14152	16990	17833	32546	30881	45287	21782	20041	18997	17874	14.40274562	13.87967897	14.52723263	13.78871833	14.05239823	14.1222618	14.99019262	14.91443185	15.46680935	14.41084881	14.29066688	14.21348399	14.12557491	14.26988574	13.98779279	15.12381128	1.020167081	0.06467017	0	0	1	1	0.943537676	0.06467017	0	0	1	1	2	black	black
met239	40924	1	51	5025	16.889999	57.069401	-858	"Hit 1 : Decane, 2,6,7-trimethyl-"	C13H28	 MF: 767	 RMF: 788	 Prob 7.34%	 CAS: 62108-25-2	 Lib: mainlib	 ID: 24297.	"Hit 2 : Decane, 2,6,7-trimethyl-"	C13H28	 MF: 767	 RMF: 788	 Prob 7.34%	 CAS: 62108-25-2	 Lib: w9n11	 ID: 142716.	"Hit 3 : Decane, 4-methyl-"	C11H24	 MF: 767	 RMF: 778	 Prob 7.34%	 CAS: 2847-72-5	 Lib: w9n11	 ID: 80991.	619532	477022	760621	470296	484271	499763	954259	838915	1390000	684837	659754	586248	563144	19.24081928	18.86369628	19.53681825	18.84320954	18.88545509	18.93088457	19.86402136	19.67816512	20.40665345	19.38540112	19.33156867	19.16115157	19.10314435	19.21377793	18.8865164	19.98294664	1.017327787	0.06467017	0	0	1	1	0.961508744	0.06467017	0	0	1	1	2	black	black
met240	63289	1	75	5077	17.063999	57.069008	-984	"Hit 1 : 1-Propene, 2-methyl-, trimer (CAS)"	C12H24	 MF: 709	 RMF: 772	 Prob 23.3%	 CAS: 7756-94-7	 Lib: w9n11	 ID: 105632.	"Hit 2 : 1-Propene, 2-methyl-, tetramer (CAS)"	C16H32	 MF: 698	 RMF: 756	 Prob 16.0%	 CAS: 15220-85-6	 Lib: w9n11	 ID: 251404.	"Hit 3 : 1-Hexene, 5,5-dimethyl- (CAS)"	C8H16	 MF: 687	 RMF: 750	 Prob 11.0%	 CAS: 7116-86-1	 Lib: w9n11	 ID: 18474.	2580000	2040000	3180000	2020000	2110000	2040000	3840000	3490000	5400000	2730000	2750000	2450000	2290000	21.29893963	20.96013772	21.60059533	20.94592386	21.00881157	20.96013772	21.87267488	21.73479561	22.36452798	21.38046952	21.39100019	21.22435032	21.12691617	21.28655756	20.97162438	21.99066615	1.015017109	0.06467017	0	0	1	1	0.96798148	0.06467017	0	0	1	1	2	black	black
met19	51402	0.966877	92	5093	17.117998	97.099968	272	"Hit 1 : 5-Hydroxy-2,2-dimethylbicyclo[3.2.1]octan-6-one"	C10H16O2	 MF: 885	 RMF: 937	 Prob 54.2%		 Lib: w9n11	 ID: 104564.	Hit 2 : 2-Butyl-3-methylcyclohexanone	C11H20O	 MF: 877	 RMF: 914	 Prob 40.4%		 Lib: w9n11	 ID: 105397.	Hit 3 : CIS-2-N-BUTYL-6-METHYLCYCLOHEXANONE	C11H20O	 MF: 738	 RMF: 779	 Prob 1.40%	 CAS: 50299-69-9	 Lib: w9n11	 ID: 105132.	1680000	1270000	2110000	1260000	1270000	1260000	2360000	2040000	3450000	1820000	1750000	1560000	1460000	20.6800298	20.27639707	21.00881157	20.2649923	20.27639707	20.2649923	21.17035543	20.96013772	21.71816493	20.79550702	20.73892349	20.5731146	20.47753694	20.65507948	20.26879389	21.28288603	1.019058144	0.066579461	0	0	1	1	0.970501813	0.066579461	0	0	1	1	2	black	black
met241	30472	1	53	5096	17.128	80.999939	-136	Hit 1 : S-METHYL METHYLTHIOSULPHONATE	C2H6O2S2	 MF: 825	 RMF: 882	 Prob 70.3%	 CAS: 2949-92-0	 Lib: w9n11	 ID: 30187.	Hit 2 : Dimethoxysulfone	C2H6O4S	 MF: 799	 RMF: 848	 Prob 21.1%	 CAS: 77-78-1	 Lib: w9n11	 ID: 30201.	Hit 3 : S-Methyl methanethiosulphonate	C2H6O2S2	 MF: 787	 RMF: 817	 Prob 70.3%	 CAS: 2949-92-0	 Lib: replib	 ID: 4295.	1370000	1240000	671024	1200000	1110000	1860000	1360000	2200000	1260000	500	16628	104230	17343	20.38574446	20.24190869	19.35600484	20.19460298	20.08212825	20.82687119	20.37517522	21.06907209	20.2649923	8.965784285	14.02132703	16.66941106	14.08206586	19.99455266	20.36786747	20.56974654	0.981671385	0.070713951	0	0	1	1	0.9720369	0.070713951	0	0	1	1	2	black	black
met242	46216	1	37	5110	17.174999	57.069946	-1163	Hit 1 : 3-(2-THIENYL)-2-PENTANONE	C9H12OS	 MF: 633	 RMF: 958	 Prob 33.5%	 CAS: 71777-95-2	 Lib: w9n11	 ID: 103216.	Hit 2 : 3-(3-THIENYL)-2-PENTANONE	C9H12OS	 MF: 623	 RMF: 941	 Prob 23.6%	 CAS: 65857-61-6	 Lib: w9n11	 ID: 103217.	Hit 3 : trans-(S)-1-(tert-Butylsulfinyl)-1-hepten-6-yne	C11H18OS	 MF: 618	 RMF: 871	 Prob 19.0%		 Lib: w9n11	 ID: 176403.	184417	153234	253429	143783	155205	162234	333210	300850	492408	197949	186485	173723	168389	17.49261213	17.22537692	17.9512221	17.13353359	17.24381551	17.30771668	18.34607217	18.19868483	18.90949468	17.59476925	17.50870007	17.40642925	17.36143837	17.55640371	17.22835526	18.48475056	1.019041194	0.066766975	0	0	1	1	0.949777691	0.066766975	0	0	1	1	2	black	black
met243	32149	1	31	5141	17.278999	71.0849	-1048	Hit 1 : Neopentyl 2-oxobutanoate	C9H16O3	 MF: 674	 RMF: 930	 Prob 39.5%		 Lib: w9n11	 ID: 113222.	"Hit 2 : 1,5-Heptadiene-3,4-diol"	C7H12O2	 MF: 654	 RMF: 859	 Prob 18.0%	 CAS: 51945-98-3	 Lib: mainlib	 ID: 38349.	"Hit 3 : 1,5-Heptadiene-3,4-diol"	C7H12O2	 MF: 653	 RMF: 858	 Prob 18.0%	 CAS: 51945-98-3	 Lib: w9n11	 ID: 33642.	49418	56803	45200	36380	54911	70675	102581	101455	100058	29435	46737	45559	50633	15.592749	15.79367951	15.46403515	15.15085792	15.74480756	16.10891236	16.64640401	16.63048044	16.61047699	14.84524501	15.51227751	15.47544846	15.62779035	15.61682122	15.66819261	16.62912048	0.996721294	0.06467017	0	0	1	1	0.939124907	0.06467017	0	0	1	1	2	black	black
met244	43214	1	34	5170	17.376001	55.05439	-762	"Hit 1 : TRANS-2,5-DIALLYLOXY-2,5-DIHYDROFURAN"	C10H14O3	 MF: 703	 RMF: 810	 Prob 45.4%	 CAS: 84315-11-7	 Lib: w9n11	 ID: 135835.	Hit 2 : cis-2-Methylpyrrolizidine	C8H15N	 MF: 680	 RMF: 834	 Prob 16.6%		 Lib: w9n11	 ID: 30149.	Hit 3 : (+)-ent-Heliotridane	C8H15N	 MF: 674	 RMF: 900	 Prob 13.0%		 Lib: w9n11	 ID: 30163.	150542	120619	222199	500	117108	119872	239249	192563	343769	153124	149540	137721	137429	17.19980652	16.88009765	17.7614928	8.965784285	16.83748011	16.87113518	17.86815337	17.554971	18.39107993	17.2243409	17.19017191	17.07138904	17.06832695	17.28046566	14.22479986	17.9380681	1.214812569	0.065383426	1	0	1	2	0.963340398	0.065383426	0	0	1	1	3	red	black
met245	62143	1	71	5191	17.446999	105.033081	-558	Hit 1 : 1-phenyl-3-buten-1-one	C10H10O	 MF: 816	 RMF: 961	 Prob 5.08%	 CAS: 6249-80-5	 Lib: w9n11	 ID: 60811.	"Hit 2 : Ethanone, 2-(formyloxy)-1-phenyl-"	C9H8O3	 MF: 815	 RMF: 950	 Prob 4.88%	 CAS: 55153-12-3	 Lib: mainlib	 ID: 78784.	Hit 3 : Vinyl ester of benzoic acid	C9H8O2	 MF: 815	 RMF: 948	 Prob 4.88%	 CAS: 769-78-8	 Lib: w9n11	 ID: 62930.	3630000	3670000	3100000	2640000	2670000	2770000	3150000	3010000	3200000	2760000	3010000	2470000	3070000	21.79153812	21.80734863	21.56383678	21.3321065	21.34840831	21.40145455	21.5869204	21.52133206	21.60964047	21.39623684	21.52133206	21.23607961	21.54980722	21.72090784	21.36065645	21.57263098	1.016865184	0.06467017	0	0	1	1	1.006873379	0.06467017	0	0	1	1	2	black	black
met246	43059	1	77	5198	17.469999	97.100159	-484	"Hit 1 : 3-Heptene, 2,2,4,6,6-pentamethyl-"	C12H24	 MF: 761	 RMF: 790	 Prob 30.3%	 CAS: 123-48-8	 Lib: mainlib	 ID: 26136.	"Hit 2 : 3-Heptene, 2,2,4,6,6-pentamethyl-"	C12H24	 MF: 761	 RMF: 790	 Prob 30.3%	 CAS: 123-48-8	 Lib: w9n11	 ID: 105717.	"Hit 3 : Cyclopropane, pentamethyl- (CAS)"	C8H16	 MF: 731	 RMF: 886	 Prob 8.41%	 CAS: 14172-83-9	 Lib: w9n11	 ID: 18573.	1920000	1500000	2390000	1410000	1470000	1480000	2830000	2490000	3980000	2070000	1980000	1770000	1690000	20.87267488	20.51653107	21.18857919	20.42726373	20.48738472	20.49716575	21.43237062	21.24771431	21.924337	20.98119934	20.917069	20.75531793	20.68859182	20.85926171	20.47060473	21.53480731	1.018986101	0.06467017	0	0	1	1	0.968630061	0.06467017	0	0	1	1	2	black	black
met17	42325	0.948773	36	5210	17.511002	120.056503	149	"Hit 1 : Benzaldehyde, 4-methyl- (CAS)"	C8H8O	 MF: 830	 RMF: 966	 Prob 92.7%	 CAS: 104-87-0	 Lib: w9n11	 ID: 25640.	"Hit 2 : 4,5-Dihydro-3-methyl-4-(3-methyl-1,4,2-dioxazol-5-yl)-5-phenylisoxazole"	C13H14N2O3	 MF: 680	 RMF: 773	 Prob 2.59%	 CAS: 89479-67-4	 Lib: w9n11	 ID: 311578.	"Hit 3 : bis(2,4-Dimethylbenzyl)-ether"	C18H22O	 MF: 655	 RMF: 747	 Prob 0.79%		 Lib: w9n11	 ID: 337076.	69296	66046	69129	56996	53526	56687	57889	64776	60618	51115	63559	43484	64919	16.08048446	16.01118357	16.07700344	15.79857305	15.70795222	15.7907303	15.82100161	15.98317176	15.88745863	15.6414591	15.95580881	15.40819704	15.98635316	16.05622382	15.76575186	15.89721067	1.018424238	0.070715784	0	0	1	1	1.010002582	0.070715784	0	0	1	1	2	black	black
met247	43293	1	35	5246	17.631001	55.054356	-403	Hit 1 : (5E)-Dec-5-eno-5-lactone	C10H16O2	 MF: 711	 RMF: 956	 Prob 54.8%		 Lib: w9n11	 ID: 104844.	"Hit 2 : 2-Methyl-6-pentyl-3,4-dihydro-2H-pyran"	C11H20O	 MF: 640	 RMF: 770	 Prob 7.80%		 Lib: w9n11	 ID: 105383.	Hit 3 : cis-bicyclo[5.3.0]decan-1-ol	C10H18O	 MF: 620	 RMF: 809	 Prob 3.55%	 CAS: 27935-18-8	 Lib: w9n11	 ID: 76541.	106492	89001	162553	500	82636	85687	159039	135122	248395	107528	104252	92108	94990	16.70038553	16.44153393	17.31055066	8.965784285	16.3344828	16.38678872	17.27902107	17.04390306	17.92227661	16.71435286	16.66971554	16.49103885	16.53548802	16.81749004	13.89568527	17.41506691	1.210267051	0.065383426	1	0	1	2	0.965686214	0.065383426	0	0	1	1	3	red	black
met248	36480	1	45	5247	17.635	119.049393	-229	"Hit 1 : Ethyl ?-fluoro-?,?-bis(p-methylbenzoyl)acetate"	C20H19FO4	 MF: 832	 RMF: 931	 Prob 68.0%		 Lib: w9n11	 ID: 569876.	"Hit 2 : Benzaldehyde, 4-methyl- (CAS)"	C8H8O	 MF: 787	 RMF: 860	 Prob 14.5%	 CAS: 104-87-0	 Lib: w9n11	 ID: 25641.	Hit 3 : 4-Tolyl dinitromethane	C8H8N2O4	 MF: 752	 RMF: 928	 Prob 3.63%		 Lib: w9n11	 ID: 169737.	88112	73864	83929	57571	63023	60329	71089	72205	63667	45788	67293	67408	73483	16.42705089	16.17258377	16.35688177	15.81305465	15.94359081	15.88056405	16.11733872	16.13981112	15.95825817	15.48268193	16.03816882	16.0406322	16.16512291	16.31883881	15.87906984	16.07180267	1.027694883	0.066607529	0	0	1	1	1.01537078	0.066607529	0	0	1	1	2	black	black
met249	62999	1	51	5292	17.786001	83.084724	-1051	"Hit 1 : 2,4,6-Trihydroxy-2',3',4'-trimethoxybenzophenone"	C15H28O7	 MF: 513	 RMF: 766	 Prob 17.6%		 Lib: w9n11	 ID: 516956.	"Hit 2 : 2?,3?-Epoxy-4.beta-[(benzyloxycarbonyl)amino]cyclooctanone"	C16H19NO4	 MF: 507	 RMF: 729	 Prob 13.8%		 Lib: w9n11	 ID: 434916.	Hit 3 : (R)-4-[(Benzyloxycarbonyl)amino]-3-hydroxybutanoic acid	C12H15NO5	 MF: 494	 RMF: 922	 Prob 8.93%		 Lib: w9n11	 ID: 332131.	617252	446508	724108	403025	427572	437843	960219	763441	1390000	557815	565010	501687	544666	19.23550008	18.7683265	19.46584536	18.62050981	18.70580785	18.74005412	19.87300396	19.54215714	20.40665345	19.0894272	19.10791688	18.93642803	19.05501229	19.15655731	18.68879059	19.94060485	1.025029266	0.067765474	0	0	1	1	0.960680855	0.067765474	0	0	1	1	2	black	black
met250	43329	1	62	5292	17.786001	55.053509	-752	"Hit 1 : 3-Decene, 2,2-dimethyl-, (E)-"	C12H24	 MF: 721	 RMF: 727	 Prob 12.1%	 CAS: 55499-02-0	 Lib: mainlib	 ID: 35482.	"Hit 2 : 3-Decene, 2,2-dimethyl-, (E)-"	C12H24	 MF: 721	 RMF: 727	 Prob 12.1%	 CAS: 55499-02-0	 Lib: w9n11	 ID: 105622.	"Hit 3 : 4-Octene, 2,3,6,7-tetramethyl- (CAS)"	C12H24	 MF: 719	 RMF: 824	 Prob 11.1%	 CAS: 63830-66-0	 Lib: w9n11	 ID: 105638.	634550	491678	807151	378201	468489	482866	1030000	871709	1450000	629112	623214	565250	555293	19.27537432	18.90735428	19.62247907	18.52879365	18.83765565	18.88126336	19.97421291	19.73348708	20.46762147	19.26295736	19.24936812	19.10852956	19.08288968	19.26840256	18.74923755	20.05844049	1.027689926	0.06467017	0	0	1	1	0.960613193	0.06467017	0	0	1	1	2	black	black
met251	32107	1	84	5322	17.886002	83.084572	-825	Hit 1 : tetra propylene	C12H24	 MF: 724	 RMF: 729	 Prob 15.1%		 Lib: w9n11	 ID: 105740.	"Hit 2 : 2-Undecanethiol, 2-methyl-"	C12H26S	 MF: 717	 RMF: 719	 Prob 11.6%	 CAS: 10059-13-9	 Lib: mainlib	 ID: 2827.	"Hit 3 : 2-Undecanethiol, 2-methyl-"	C12H26S	 MF: 717	 RMF: 719	 Prob 11.6%	 CAS: 10059-13-9	 Lib: w9n11	 ID: 187087.	938392	700582	1120000	654137	257893	676765	1430000	1160000	2080000	927670	892594	800190	833908	19.83983119	19.4181944	20.0950673	19.31923329	17.97641309	19.36829543	20.44758372	20.14569337	20.9881521	19.82325216	19.76764458	19.60998307	19.6695287	19.7843643	18.88798061	20.52714306	1.047457889	0.066579461	0	0	1	1	0.9638148	0.066579461	0	0	1	1	2	black	black
met252	45512	1	89	5336	17.933001	135.092163	-1187	Hit 1 : 3-Dimethylphenylsilyl-5-isopropenyl-2-methylcyclohexanone	C18H26OSi	 MF: 621	 RMF: 864	 Prob 49.4%	 CAS: 80256-21-9	 Lib: w9n11	 ID: 427960.	Hit 2 : bis[ Dimethylphenylsilyl] phosphane	C16H23PSi2	 MF: 592	 RMF: 800	 Prob 14.0%		 Lib: w9n11	 ID: 470570.	Hit 3 : 2-[3-(Dimethylphenylsilyl)-4-methyl-5-oxocyclohexyl]-propan-2-ol	C18H28O2Si	 MF: 583	 RMF: 802	 Prob 10.2%	 CAS: 80256-19-5	 Lib: w9n11	 ID: 476631.	115473	115046	105434	74772	87909	90970	215490	205117	231038	92507	92001	90963	94640	16.81719603	16.8118513	16.68598065	16.1902105	16.42372325	16.47310323	17.7172614	17.64608754	17.81777063	16.49727492	16.48936192	16.47299222	16.53016245	16.77167599	16.36234566	17.72703986	1.025016605	0.06467017	0	0	1	1	0.946106972	0.06467017	0	0	1	1	2	black	black
met253	61055	1	101	5336	17.933001	270.973694	-464	"Hit 1 : 1,1-Dimethoxy-2,5-bis(trimethylsilyl)silole"	C12H26O2Si3	 MF: 797	 RMF: 798	 Prob 23.8%		 Lib: w9n11	 ID: 425433.	"Hit 2 : 2-chloro-4,6-bis(1'-methyl-2'-pyrrolyl)pyrimidine"	C14H13ClN4	 MF: 793	 RMF: 848	 Prob 20.1%	 CAS: 131022-71-4	 Lib: w9n11	 ID: 386534.	"Hit 3 : 10-Hydroxy-5-trimethylsilyl-8,8a,9,10-tetrahydrophenanthrene-6(7H)-one"	C17H22O2Si	 MF: 785	 RMF: 789	 Prob 15.0%		 Lib: w9n11	 ID: 427573.	587386	473601	374601	377570	456047	387679	329054	484293	450014	406983	493113	398555	497765	19.16394935	18.8533126	18.51499523	18.52638461	18.79882299	18.56450306	18.32796483	18.88552062	18.77961036	18.63460901	18.91155876	18.6044193	18.92510527	18.84408573	18.62990356	18.66436527	1.011496687	0.06467017	0	0	1	1	1.009629069	0.06467017	0	0	1	1	2	black	black
met254	50904	1	30	5369	18.044001	165.126938	-306	"Hit 1 : 1,1,2-Triphenyloxirane"	C20H16O	 MF: 725	 RMF: 792	 Prob 67.9%		 Lib: w9n11	 ID: 388739.	Hit 2 : N-[2-(Phenylethynyl)phenyl]methanesulfonamide	C15H13NO2S	 MF: 636	 RMF: 698	 Prob 5.86%		 Lib: w9n11	 ID: 384319.	"Hit 3 : N-(2,5-DIMETHOXY-6-HYDROXYBENZYLIDENE)-DIAMINODICYANOETHENE"	C13H12N4O3	 MF: 634	 RMF: 718	 Prob 5.41%	 CAS: 74900-47-3	 Lib: w9n11	 ID: 386084.	61224	55068	40173	27625	29652	34030	32647	32048	30866	29876	34850	30790	31293	15.90180968	15.74892659	15.29393858	14.75368684	14.8558418	15.05451953	14.99466281	14.96794671	14.91373091	14.86669938	15.08887104	14.91017425	14.93355235	15.64822495	14.88801606	14.95878014	1.0510618	0.06467017	0	0	1	1	1.046089641	0.06467017	0	0	1	1	2	black	black
met255	43218	1	35	5372	18.054001	83.085358	-642	"Hit 1 : 2-Hydroxy-3,7,7-trimethylbicyclo[2.2.1]heptanone"	C10H16O2	 MF: 696	 RMF: 842	 Prob 31.8%		 Lib: w9n11	 ID: 104861.	"Hit 2 : (1R,3R,4S)-3-Hydroxy-1,7,7-trimethylbicyclo[2.2.1]heptan-2-one"	C10H16O2	 MF: 687	 RMF: 831	 Prob 23.1%		 Lib: w9n11	 ID: 104791.	"Hit 3 : (1R,3R,4S)-3-Hydroxy-1,7,7-trimethylbicyclo[2.2.1]heptan-2-one"	C10H16O2	 MF: 676	 RMF: 735	 Prob 15.8%		 Lib: w9n11	 ID: 104792.	205852	140586	202740	216069	132584	130531	279729	172845	416746	150462	500	136297	177977	17.65124794	17.10109341	17.62927123	17.72113257	17.01654716	16.99403295	18.0936703	17.39911934	18.66880883	17.19903965	8.965784285	17.05639428	17.44133129	17.46053753	17.24390423	18.05386616	1.012562892	0.115065761	0	0	0	0	0.967135647	0.115065761	0	0	0	0	0	black	black
met256	64979	1	36	5381	18.084002	111.031204	-585	"Hit 1 : 2-(5-Trifluoromethyl-3-phenyl-1H-pyrazol-1-yl)-4,5,6,7-tetrahydrobenzothiazole"	C17H14F3N3S	 MF: 619	 RMF: 780	 Prob 40.4%		 Lib: w9n11	 ID: 584849.	"Hit 2 : ent-6?.-Hydroxy-2,3-seco-13-ep-manoyl oxide-2,3-dioic acid 2-methyl ester"	C21H34O6	 MF: 609	 RMF: 655	 Prob 28.5%		 Lib: w9n11	 ID: 647442.	"Hit 3 : 4-Methyl-4'-cyano-2,2':6"",2""'-quaterpyridine"	C22H15N5	 MF: 605	 RMF: 706	 Prob 24.1%		 Lib: w9n11	 ID: 585594.	16808	8426	9223	10646	8464	8461	5957	9362	7299	500	9180	3513	6207	14.03686045	13.0406322	13.17102038	13.37802385	13.04712391	13.04661247	12.54037024	13.19260105	12.83348311	8.965784285	13.16427844	11.77848786	12.59968043	13.41617101	13.15725341	12.8554848	1.019678697	0.139579972	0	0	0	0	1.043614552	0.139579972	0	0	0	0	0	black	black
met257	7836	1	42	5387	18.104	96.082169	-513	"Hit 1 : trans,cis,trans-4,11-diacetoxytricyclo[6.4.0.0(2,7)]dodeca-3,11-diene"	C16H20O4	 MF: 745	 RMF: 954	 Prob 28.6%	 CAS: 115018-86-5	 Lib: w9n11	 ID: 398511.	"Hit 2 : all-cis-4,11-diacetoxytricyclo[6.4.0.0(2,7)]dodeca-3,11-diene"	C16H20O4	 MF: 740	 RMF: 949	 Prob 23.0%	 CAS: 115018-85-4	 Lib: w9n11	 ID: 398510.	"Hit 3 : exo-1,4-diacetoxytricyclo[6.2.2.0(2,7)]dodeca-3,9-diene"	C16H20O4	 MF: 725	 RMF: 928	 Prob 14.0%	 CAS: 96194-84-2	 Lib: w9n11	 ID: 398509.	96329	131765	114178	40231	40965	59698	202451	178388	97081	401507	249242	455699	263553	16.55568257	17.00760768	16.80092517	15.29601998	15.32210419	15.86539498	17.62721324	17.44465904	16.56690135	18.61506561	17.92718767	18.79772168	18.00773359	16.78807181	15.49450638	17.21292455	1.083485423	0.06467017	0	0	1	1	0.975317806	0.06467017	0	0	1	1	2	black	black
met258	44721	1	28	5405	18.165001	132.091187	-816	"Hit 1 : 6,6-dimethyl-1-vinylfulven"	C10H12	 MF: 733	 RMF: 854	 Prob 14.6%	 CAS: 102835-72-3	 Lib: w9n11	 ID: 39704.	"Hit 2 : Benzene, 4-ethenyl-1,2-dimethyl-"	C10H12	 MF: 723	 RMF: 810	 Prob 10.3%	 CAS: 27831-13-6	 Lib: mainlib	 ID: 116532.	"Hit 3 : Benzene, 4-ethenyl-1,2-dimethyl-"	C10H12	 MF: 723	 RMF: 810	 Prob 10.3%	 CAS: 27831-13-6	 Lib: w9n11	 ID: 39612.	14773	13313	17045	13285	17047	13921	8619	8042	3570	29056	24052	19770	22549	13.85067521	13.70054809	14.05706098	13.69751061	14.05723025	13.76497523	13.07330478	12.97333862	11.80170836	14.82654849	14.55386924	14.27102525	14.46077583	13.86942809	13.83990536	12.61611725	1.00213316	0.064824347	0	0	1	1	1.099342041	0.064824347	0	0	1	1	2	black	black
met259	64928	1	51	5421	18.219	55.05407	-334	Hit 1 : rac-1-(2-Methyl-1-naphthyl)-3-(2-pyridyl)isoquinoline	C25H18N2	 MF: 822	 RMF: 822	 Prob 25.8%		 Lib: w9n11	 ID: 580021.	"Hit 2 : 2,3-Dinitro1,4-bis(trimethylsilanylethynyl)benzene"	C16H20N2O4Si2	 MF: 821	 RMF: 821	 Prob 24.8%		 Lib: w9n11	 ID: 606716.	"Hit 3 : 11-(3',4'-Dichlorophenyl)-2,3,4,11-tetrahydropyrido[2,3-d]pyrimido[1,2-a]pyrimidin-6(6H)-one"	C16H12Cl2N4O	 MF: 813	 RMF: 813	 Prob 18.5%		 Lib: w9n11	 ID: 577690.	286555	213130	442396	181536	167478	188290	447715	381260	659693	273214	274743	244533	233177	18.12845254	17.70137415	18.75497882	17.46989615	17.35361207	17.52259686	18.77222113	18.54041565	19.33143527	18.05967189	18.0677232	17.89966965	17.83106597	18.19493517	17.44870169	18.88135735	1.042767278	0.066579461	0	0	1	1	0.963645507	0.066579461	0	0	1	1	2	black	black
met260	38128	1	57	5421	18.219	97.100792	-121	Hit 1 : 1-(2-Methoxyethenyl)cyclopropane	C6H10O	 MF: 828	 RMF: 929	 Prob 77.3%		 Lib: w9n11	 ID: 9467.	Hit 2 : (1-Methylcyclopropyl)(methyl)ketone	C6H10O	 MF: 738	 RMF: 841	 Prob 6.61%	 CAS: 1567-75-5	 Lib: w9n11	 ID: 9169.	Hit 3 : 2-Methyl-2-cyclopenten-1-ol	C6H10O	 MF: 732	 RMF: 820	 Prob 5.19%		 Lib: w9n11	 ID: 9435.	344763	263743	381425	242932	236324	239704	533628	475579	790158	341448	358761	300380	267935	18.39524543	18.00877328	18.54103988	17.89019301	17.85040662	17.87089446	19.02547484	18.85932549	19.59178164	18.38130636	18.45266354	18.19642923	18.03152353	18.31501953	17.87049803	19.15886066	1.0248746	0.06467017	0	0	1	1	0.955955568	0.06467017	0	0	1	1	2	black	black
met261	36384	1	26	5431	18.252001	119.055405	116	Hit 1 : 4-Tolyl dinitromethane	C8H8N2O4	 MF: 908	 RMF: 960	 Prob 26.1%		 Lib: w9n11	 ID: 169737.	"Hit 2 : Benzaldehyde, 4-methyl- (CAS)"	C8H8O	 MF: 903	 RMF: 934	 Prob 21.1%	 CAS: 104-87-0	 Lib: w9n11	 ID: 25639.	"Hit 3 : Ethyl ?-fluoro-?,?-bis(p-methylbenzoyl)acetate"	C20H19FO4	 MF: 888	 RMF: 909	 Prob 12.8%		 Lib: w9n11	 ID: 569876.	65191	365552	55629	109523	48665	70605	42424	11438	500	500	225362	53294	47708	15.99238519	18.47971712	15.76354955	16.74087434	15.57059693	16.10748273	15.37259303	13.48154719	8.965784285	8.965784285	17.78188475	15.7016855	15.54194359	16.74521729	16.13965134	12.6066415	1.037520386	0.273104765	0	0	0	0	1.328285355	0.273104765	1	0	0	1	1	black	black
met262	38117	1	81	5469	18.380001	57.069389	-825	"Hit 1 : 1-Hexanol, 2-ethyl-"	C8H18O	 MF: 726	 RMF: 776	 Prob 14.3%	 CAS: 104-76-7	 Lib: replib	 ID: 5978.	"Hit 2 : 1-Hexanol, 2-ethyl-"	C8H18O	 MF: 726	 RMF: 776	 Prob 14.3%	 CAS: 104-76-7	 Lib: w9n11	 ID: 37362.	"Hit 3 : 1-Hexanol, 2-ethyl- (CAS)"	C8H18O	 MF: 726	 RMF: 776	 Prob 14.3%	 CAS: 104-76-7	 Lib: w9n11	 ID: 37377.	2790000	2220000	3230000	1980000	2170000	2280000	4690000	4040000	5930000	2820000	2790000	2500000	2460000	21.41183369	21.08212825	21.62310273	20.917069	21.04926361	21.12060239	22.16115649	21.94592386	22.49960067	21.42726373	21.41183369	21.25349666	21.23022688	21.37235489	21.02897834	22.20222701	1.016328732	0.06467017	0	0	1	1	0.962622123	0.06467017	0	0	1	1	2	black	black
met263	43312	1	28	5488	18.442999	125.132019	-138	"Hit 1 : 6-Ethyl-4-hydroxy-3,5-dimethyl-2H-pyran-2-one"	C9H12O3	 MF: 897	 RMF: 928	 Prob 37.8%		 Lib: w9n11	 ID: 103612.	Hit 2 : 1-[2-(Trimethylsilyl)ethyl]cyclopentene	C10H20Si	 MF: 872	 RMF: 967	 Prob 11.5%		 Lib: w9n11	 ID: 105014.	"Hit 3 : 1,2,4-Trimethyl-8-oxabicyclo[3.2.1]oct-3-one isomer"	C10H16O2	 MF: 864	 RMF: 960	 Prob 8.60%		 Lib: w9n11	 ID: 104700.	83309	66584	94139	64877	58900	64874	128264	103139	166321	88115	86877	72628	72323	16.34618474	16.02288792	16.52250491	15.98541949	15.84598001	15.98535277	16.96875678	16.65423044	17.34361081	16.42710001	16.40668667	16.14823823	16.1421669	16.29719252	15.93891743	16.98886601	1.022478007	0.06467017	0	0	1	1	0.95928666	0.06467017	0	0	1	1	2	black	black
met264	64944	1	21	5495	18.466999	344.992432	-474	"Hit 1 : 2,3-Dinitro1,4-bis(trimethylsilanylethynyl)benzene"	C16H20N2O4Si2	 MF: 790	 RMF: 803	 Prob 30.9%		 Lib: w9n11	 ID: 606716.	Hit 2 : rac-1-(2-Methyl-1-naphthyl)-3-(2-pyridyl)isoquinoline	C25H18N2	 MF: 778	 RMF: 830	 Prob 20.5%		 Lib: w9n11	 ID: 580021.	"Hit 3 : 11-(3',4'-Dichlorophenyl)-2,3,4,11-tetrahydropyrido[2,3-d]pyrimido[1,2-a]pyrimidin-6(6H)-one"	C16H12Cl2N4O	 MF: 757	 RMF: 805	 Prob 8.74%		 Lib: w9n11	 ID: 577690.	14710	17143	16539	11197	11975	11750	10630	14546	10991	17443	16790	19016	20077	13.84450963	14.06533198	14.01358439	13.45082462	13.54773804	13.52037314	13.37585398	13.82833486	13.42403503	14.09036057	14.03531461	14.21492619	14.29325609	13.97447533	13.50631193	13.54274129	1.034662564	0.06467017	0	0	1	1	1.031879369	0.06467017	0	0	1	1	2	black	black
met265	41735	1	31	5521	18.554001	132.092728	-157	Hit 1 : 1-(1-methylvinyl)-4-methyl-benzene	C10H12	 MF: 869	 RMF: 923	 Prob 43.6%		 Lib: w9n11	 ID: 39695.	Hit 2 : E-1-phenylbutetene	C10H12	 MF: 827	 RMF: 924	 Prob 9.79%	 CAS: 1005-64-7	 Lib: w9n11	 ID: 39718.	Hit 3 : 1-methyl-4-(1-methylethenyl)benzene	C10H12	 MF: 825	 RMF: 888	 Prob 9.03%	 CAS: 1195-32-0	 Lib: w9n11	 ID: 39708.	70703	60130	88562	69996	78166	74212	37758	37360	43869	174585	80478	83923	71897	16.10948381	15.87579734	16.43440018	16.09498486	16.25425359	16.17936487	15.20449473	15.18920683	15.4209142	17.41357009	16.29630683	16.35677863	16.13364395	16.13989378	16.17620111	15.27153859	0.99775551	0.06467017	0	0	1	1	1.056861015	0.06467017	0	0	1	1	2	black	black
met266	2548	1	36	5531	18.587999	58.041504	-365	Hit 1 : 2-Nonanone	C9H18O	 MF: 707	 RMF: 723	 Prob 66.9%	 CAS: 821-55-6	 Lib: replib	 ID: 6792.	Hit 2 : 2-Nonanone	C9H18O	 MF: 707	 RMF: 723	 Prob 66.9%	 CAS: 821-55-6	 Lib: w9n11	 ID: 54465.	Hit 3 : 2-Nonanone (CAS)	C9H18O	 MF: 701	 RMF: 717	 Prob 66.9%	 CAS: 821-55-6	 Lib: w9n11	 ID: 54470.	500	500	500	500	500	500	500	500	500	500	500	500	500	8.965784285	8.965784285	8.965784285	8.965784285	8.965784285	8.965784285	8.965784285	8.965784285	8.965784285	8.965784285	8.965784285	8.965784285	8.965784285	8.965784285	8.965784285	8.965784285	1	0.066579461	0	0	1	1	1	0.066579461	0	0	1	1	2	black	black
met267	38118	1	55	5534	18.598	57.069195	-1116	"Hit 1 : 1-Octyn-3-ol, 4-ethyl-"	C10H18O	 MF: 650	 RMF: 696	 Prob 33.8%	 CAS: 5877-42-9	 Lib: replib	 ID: 6008.	"Hit 2 : 1-Octyn-3-ol, 4-ethyl-"	C10H18O	 MF: 650	 RMF: 696	 Prob 33.8%	 CAS: 5877-42-9	 Lib: w9n11	 ID: 75691.	"Hit 3 : 1-Octyn-3-ol, 4-ethyl- (CAS)"	C10H18O	 MF: 650	 RMF: 696	 Prob 33.8%	 CAS: 5877-42-9	 Lib: w9n11	 ID: 75697.	1390000	1110000	1670000	1000000	1060000	1090000	2430000	1980000	3260000	1430000	1420000	1290000	1260000	20.40665345	20.08212825	20.67141667	19.93156857	20.01563283	20.0558967	21.21252488	20.917069	21.63644053	20.44758372	20.4374595	20.29893963	20.2649923	20.38673279	20.0010327	21.25534481	1.019284009	0.06467017	0	0	1	1	0.959134419	0.06467017	0	0	1	1	2	black	black
met24	43313	0.989202	52	5553	18.661001	71.084908	-552	"Hit 1 : 2,3,5-Trimethylthiophene"	C7H16S	 MF: 694	 RMF: 762	 Prob 22.7%		 Lib: w9n11	 ID: 39288.	"Hit 2 : 2,3,4-Trimethylthiophene"	C7H16S	 MF: 694	 RMF: 761	 Prob 22.7%		 Lib: w9n11	 ID: 39289.	"Hit 3 : Thiophene, 2,3,4-trimethyl- (CAS)"	C7H10S	 MF: 693	 RMF: 760	 Prob 21.8%	 CAS: 1795-04-6	 Lib: w9n11	 ID: 31160.	104617	90072	113508	77970	88194	102341	181068	164762	208650	89180	100239	96642	99005	16.67475778	16.45879108	16.79243446	16.25063151	16.42839289	16.64302471	17.46617208	17.33002402	17.6707254	16.44443258	16.6130844	16.56036269	16.59521377	16.64199444	16.44068304	17.48897383	1.01224471	0.06467017	0	0	1	1	0.951570664	0.06467017	0	0	1	1	2	black	black
met268	64945	1	35	5562	18.691999	69.097771	-127	Hit 1 : rac-1-(2-Methyl-1-naphthyl)-3-(2-pyridyl)isoquinoline	C25H18N2	 MF: 851	 RMF: 851	 Prob 44.2%		 Lib: w9n11	 ID: 580021.	"Hit 2 : 11-(3',4'-Dichlorophenyl)-2,3,4,11-tetrahydropyrido[2,3-d]pyrimido[1,2-a]pyrimidin-6(6H)-one"	C16H12Cl2N4O	 MF: 847	 RMF: 847	 Prob 37.3%		 Lib: w9n11	 ID: 577690.	"Hit 3 : 6-Bromo-5-methoxy-1-(1-pyrrolin-2-yl)-3,4-dihydro-?-carboline"	C16H16BrN3O	 MF: 773	 RMF: 773	 Prob 4.96%		 Lib: w9n11	 ID: 576025.	177809	146176	174910	193773	146461	185822	125158	192027	190721	182791	182838	116369	163030	17.43996882	17.15734694	17.41625325	17.56400804	17.16015703	17.50356179	16.93339098	17.55094965	17.54110418	17.47983551	17.48020642	16.82834726	17.31477794	17.33785634	17.40924228	17.34181494	0.995899537	0.065556031	0	0	1	1	0.999771731	0.065556031	0	0	1	1	2	black	black
met269	51410	1	79	5571	18.721998	83.084343	-984	"Hit 1 : 2-Hexene, 2,3-dimethyl-"	C8H16	 MF: 705	 RMF: 814	 Prob 12.4%	 CAS: 7145-20-2	 Lib: replib	 ID: 5148.	"Hit 2 : 2-Hexene, 2,3-dimethyl-"	C8H16	 MF: 705	 RMF: 814	 Prob 12.4%	 CAS: 7145-20-2	 Lib: w9n11	 ID: 18481.	"Hit 3 : 3-Hexene, 2,3-dimethyl-"	C8H16	 MF: 698	 RMF: 808	 Prob 9.48%	 CAS: 7145-23-5	 Lib: replib	 ID: 5162.	1640000	1320000	1990000	1140000	1220000	1230000	2740000	2220000	3710000	1640000	1640000	1480000	1480000	20.64526438	20.3321065	20.924337	20.12060239	20.21844972	20.23022688	21.38574446	21.08212825	21.82298776	20.64526438	20.64526438	20.49716575	20.49716575	20.63390263	20.18975967	21.43028682	1.021998427	0.06467017	0	0	1	1	0.962838379	0.06467017	0	0	1	1	2	black	black
met270	38119	1	35	5592	18.792	55.053768	-744	Hit 1 : Cyclohexanone (CAS)	C6H10O	 MF: 736	 RMF: 957	 Prob 33.4%	 CAS: 108-94-1	 Lib: w9n11	 ID: 9232.	Hit 2 : Cyclohexanone (CAS)	C6H10O	 MF: 729	 RMF: 944	 Prob 33.4%	 CAS: 108-94-1	 Lib: w9n11	 ID: 9230.	Hit 3 : trans-4-hexenal	C6H10O	 MF: 727	 RMF: 875	 Prob 24.3%	 CAS: 25166-87-4	 Lib: w9n11	 ID: 9379.	421037	325966	582183	275607	287976	312469	747384	602354	1020000	394865	407763	373809	352924	18.68358749	18.31436197	19.15111319	18.07225301	18.13558906	18.25335354	19.51149015	19.20025207	19.96013772	18.59099997	18.63737135	18.51194178	18.42899802	18.71635422	18.15373187	19.55729332	1.030992104	0.06467017	0	0	1	1	0.957001253	0.06467017	0	0	1	1	2	black	black
met271	43024	1	24	5603	18.829	123.945992	224	"Hit 1 : 1,2,4-Trithiolane (CAS)"	C2H4S3	 MF: 907	 RMF: 964	 Prob 89.9%	 CAS: 289-16-7	 Lib: w9n11	 ID: 28262.	"Hit 2 : 1,2,4-Trithiolane (CAS)"	C2H4S3	 MF: 868	 RMF: 923	 Prob 89.9%	 CAS: 289-16-7	 Lib: w9n11	 ID: 28258.	"Hit 3 : 1,2,4-Trithiolane (CAS)"	C2H4S3	 MF: 860	 RMF: 874	 Prob 89.9%	 CAS: 289-16-7	 Lib: w9n11	 ID: 28260.	1030000	1210000	601744	712403	1180000	1010000	599332	1050000	742611	500	2432	10156	2427	19.97421291	20.20657562	19.19879033	19.44233407	20.17035543	19.94592386	19.19299588	20.0019579	19.50224716	8.965784285	11.24792751	13.31004468	11.24495839	19.79319295	19.85287112	19.56573365	0.996993978	0.06467017	0	0	1	1	1.011625391	0.06467017	0	0	1	1	2	black	black
met272	51411	1	51	5630	18.919998	83.084633	-377	Hit 1 : 3-ETHYL-5-METHYL-1-PROPYL-CYCLOHEXANE	C12H24	 MF: 772	 RMF: 788	 Prob 29.8%		 Lib: w9n11	 ID: 105677.	"Hit 2 : Cyclohexane, 3-ethyl-5-methyl-1-propyl-"	C12H24	 MF: 769	 RMF: 785	 Prob 26.3%		 Lib: mainlib	 ID: 34997.	"Hit 3 : Cyclohexane, 3-ethyl-5-methyl-1-propyl-"	C12H24	 MF: 768	 RMF: 784	 Prob 25.3%		 Lib: w9n11	 ID: 105721.	1290000	1020000	1580000	903109	963093	981170	2200000	1820000	3010000	1340000	1340000	1240000	1200000	20.29893963	19.96013772	20.59149313	19.7845406	19.87731559	19.9041436	21.06907209	20.79550702	21.52133206	20.35380157	20.35380157	20.24190869	20.19460298	20.28352349	19.85533326	21.12863706	1.021565502	0.06467017	0	0	1	1	0.960001511	0.06467017	0	0	1	1	2	black	black
met273	59164	1	128	5638	18.946999	266.998016	-256	"Hit 1 : 2-(2-Pyridyl)-3-(trimethylsilyl)-5,6,7,8-tetrahydroquinoline"	C17H22N2Si	 MF: 847	 RMF: 866	 Prob 52.1%		 Lib: w9n11	 ID: 415918.	Hit 2 : 4H-3-(p-methylanilino)1-benzothiopyran-4-one 1-oxide	C16H13NO2S	 MF: 828	 RMF: 836	 Prob 25.3%	 CAS: 116884-81-2	 Lib: w9n11	 ID: 418088.	Hit 3 : 2-[2'-(p-Chlorophenyl)-1'-methylethenyl]-benzimidazole	C16H13ClN2	 MF: 798	 RMF: 840	 Prob 7.03%		 Lib: w9n11	 ID: 375967.	8320000	8310000	8310000	8310000	8320000	8320000	8320000	8320000	8320000	8320000	8320000	8320000	8320000	22.9881521	22.98641705	22.98641705	22.98641705	22.9881521	22.9881521	22.9881521	22.9881521	22.9881521	22.9881521	22.9881521	22.9881521	22.9881521	22.9869954	22.98757375	22.9881521	0.999974841	0.06467017	0	0	1	1	0.999949683	0.06467017	0	0	1	1	2	black	black
met274	43223	1	71	5686	19.108	69.068916	-898	Hit 1 : 3-ETHYL-5-METHYL-1-PROPYL-CYCLOHEXANE	C12H24	 MF: 718	 RMF: 719	 Prob 12.2%		 Lib: w9n11	 ID: 105677.	"Hit 2 : Cyclohexane, 3-ethyl-5-methyl-1-propyl-"	C12H24	 MF: 715	 RMF: 716	 Prob 10.8%		 Lib: mainlib	 ID: 34997.	"Hit 3 : Cyclohexane, 3-ethyl-5-methyl-1-propyl-"	C12H24	 MF: 715	 RMF: 715	 Prob 10.8%		 Lib: w9n11	 ID: 105721.	1230000	931006	1410000	817130	892460	882558	2160000	1810000	2860000	1160000	1190000	1090000	1050000	20.23022688	19.82843094	20.42726373	19.64020609	19.76742798	19.75133157	21.04259988	20.78755827	21.44758372	20.14569337	20.18253014	20.0558967	20.0019579	20.16197385	19.71965521	21.09258062	1.022430343	0.06467017	0	0	1	1	0.9558799	0.06467017	0	0	1	1	2	black	black
met275	29150	1	90	5713	19.198	67.053879	-591	"Hit 1 : 4-n-Hexyl-1,3,2-dioxathiolane-2,2-dioxide"	C8H16O4S	 MF: 773	 RMF: 871	 Prob 17.4%		 Lib: w9n11	 ID: 202151.	Hit 2 : 1-Undecyne (CAS)	C11H20	 MF: 754	 RMF: 778	 Prob 8.43%	 CAS: 2243-98-3	 Lib: w9n11	 ID: 72318.	"Hit 3 : 6-Hepten-1-ol, 3-methyl-"	C8H16O	 MF: 751	 RMF: 762	 Prob 7.45%	 CAS: 4048-32-2	 Lib: mainlib	 ID: 19200.	417706	510315	360883	256087	368794	716867	648363	664581	680729	811116	1430000	366289	367916	18.67212834	18.96102852	18.46117166	17.96627449	18.49245566	19.45134596	19.30644224	19.34208552	19.37672105	19.62954873	20.44758372	18.48262285	18.48901689	18.69810951	18.63669204	19.3417496	1.003295514	0.128795984	0	0	0	0	0.966722757	0.128795984	0	0	0	0	0	black	black
met276	64946	1	58	5731	19.259001	97.100708	-359	Hit 1 : rac-1-(2-Methyl-1-naphthyl)-3-(2-pyridyl)isoquinoline	C25H18N2	 MF: 831	 RMF: 831	 Prob 25.5%		 Lib: w9n11	 ID: 580021.	"Hit 2 : 2,3-Dinitro1,4-bis(trimethylsilanylethynyl)benzene"	C16H20N2O4Si2	 MF: 829	 RMF: 829	 Prob 23.5%		 Lib: w9n11	 ID: 606716.	"Hit 3 : Ethyl 3-cyano-2,3-bis(2',5'-dimethyl-3'-thienyl)-acrylate"	C18H19NO2S2	 MF: 813	 RMF: 816	 Prob 13.5%		 Lib: w9n11	 ID: 576291.	298795	238569	336956	209038	223727	249874	553209	445901	675702	315990	308150	274539	277157	18.18879648	17.86404706	18.36220069	17.6734057	17.77137985	17.93084127	19.0774651	18.76636391	19.3660276	18.26951938	18.23327327	18.06665158	18.08034392	18.13834808	17.79187561	19.0699522	1.019473634	0.06467017	0	0	1	1	0.951148062	0.06467017	0	0	1	1	2	black	black
met277	32108	1	33	5761	19.359001	71.085258	-1163	"Hit 1 : 3-tert-Butoxy-3-cyclobutene-1,2-dione"	C8H10O3	 MF: 635	 RMF: 936	 Prob 22.3%		 Lib: w9n11	 ID: 74561.	"Hit 2 : 4,8-Dimethyl-1-oxaspiro[4.5]decan-2-one"	C11H18O2	 MF: 612	 RMF: 707	 Prob 8.13%	 CAS: 94607-50-8	 Lib: w9n11	 ID: 136426.	"Hit 3 : Tridecane, 7-methyl- (CAS)"	C14H30	 MF: 609	 RMF: 630	 Prob 7.18%	 CAS: 26730-14-3	 Lib: w9n11	 ID: 178323.	92091	67740	100985	59893	65511	74412	150560	127937	188689	74036	76929	82631	73279	16.49077255	16.04772037	16.62378149	15.87009978	15.99944955	16.18324767	17.19997901	16.96507403	17.5256508	16.17593933	16.23123993	16.33439551	16.1611122	16.3874248	16.017599	17.23023461	1.023088716	0.06467017	0	0	1	1	0.951085413	0.06467017	0	0	1	1	2	black	black
met278	61971	1	57	5771	19.393	266.999023	-639	"Hit 1 : 2-(2-Pyridyl)-3-(trimethylsilyl)-5,6,7,8-tetrahydroquinoline"	C17H22N2Si	 MF: 725	 RMF: 895	 Prob 38.5%		 Lib: w9n11	 ID: 415918.	"Hit 2 : [1]benzothieno[2,3-c]quinolin-6(5H)-thione"	C15H9NS2	 MF: 687	 RMF: 851	 Prob 9.21%	 CAS: 115172-83-3	 Lib: w9n11	 ID: 372666.	Hit 3 : 2-[2'-(p-Chlorophenyl)-1'-methylethenyl]-benzimidazole	C16H13ClN2	 MF: 682	 RMF: 823	 Prob 7.42%		 Lib: w9n11	 ID: 375968.	131009	129835	112662	84295	86594	99853	117471	118390	108054	131135	113928	131236	112650	16.9993064	16.98631982	16.78164146	16.36315944	16.40197945	16.60751815	16.84194512	16.8531877	16.72139295	17.00069327	16.79776284	17.001804	16.78148779	16.92242256	16.45755235	16.80550859	1.028246619	0.06467017	0	0	1	1	1.006956884	0.06467017	0	0	1	1	2	black	black
met279	36547	1	40	5790	19.457001	91.053787	-1116	Hit 1 : 2-Ethenylcyclopent-2-enol	C7H10O	 MF: 643	 RMF: 842	 Prob 29.3%	 CAS: 68332-31-0	 Lib: w9n11	 ID: 16351.	Hit 2 : trans-5-heptenal	C7H12O	 MF: 614	 RMF: 945	 Prob 8.30%	 CAS: 21662-19-1	 Lib: w9n11	 ID: 18182.	"Hit 3 : (+-)-2-O-Benzyl-3-deoxy-?-DL-arabino-hexafuranurono-6,1-lactone"	C13H14O5	 MF: 613	 RMF: 768	 Prob 7.98%		 Lib: w9n11	 ID: 323023.	78923	70865	63833	41301	44377	51437	207715	185825	248648	24608	500	500	500	16.26815818	16.11278564	15.96201483	15.33388909	15.43752452	15.65051888	17.66424588	17.50358508	17.9237453	14.58683979	8.965784285	8.965784285	8.965784285	16.11431955	15.4739775	17.69719209	1.041381865	0.06467017	0	0	1	1	0.910557984	0.06467017	0	0	1	1	2	black	black
met280	36232	1	32	5804	19.504	85.10038	-452	Hit 1 : N-Phthaloyl-4-aminobenzoic Acid	C15H9NO4	 MF: 695	 RMF: 718	 Prob 48.5%		 Lib: w9n11	 ID: 372653.	"Hit 2 : Methyl 4-amino-3-(1',2',3',4'-tetrahydro-2',4'-dioxopyrimidin-1'-yl)thiophene-2-carboxylate"	C10H9N3O4S	 MF: 686	 RMF: 786	 Prob 35.2%		 Lib: w9n11	 ID: 371714.	"Hit 3 : 2-Acetyl-4-nitro-7-ethoxy-7,8-dihydrobenzo[b]furan-1-ol"	C12H13NO6	 MF: 610	 RMF: 712	 Prob 4.44%		 Lib: w9n11	 ID: 372079.	33926	33060	27169	22532	26619	26173	44001	43639	46775	31741	27550	23164	25681	15.05010372	15.0127991	14.72967385	14.45968776	14.70016875	14.67579168	15.42524869	15.41333042	15.51345003	14.95405996	14.7497647	14.49959678	14.64841376	14.93085889	14.61188273	15.45067638	1.021829915	0.06467017	0	0	1	1	0.966356328	0.06467017	0	0	1	1	2	black	black
met281	62088	1	30	5804	19.504	270.974365	-526	"Hit 1 : 1-Benzyl-3-(3'-methylbut-2'-enyl]-4,8-dimethoxyquinoline"	C23H25NO3	 MF: 726	 RMF: 875	 Prob 45.1%		 Lib: w9n11	 ID: 614042.	"Hit 2 : 10-Hydroxy-5-trimethylsilyl-8,8a,9,10-tetrahydrophenanthrene-6(7H)-one"	C17H22O2Si	 MF: 677	 RMF: 822	 Prob 9.25%		 Lib: w9n11	 ID: 427573.	"Hit 3 : 1-Acetyl-5,6-dihydro-8,9-dimethoxypyrrolo[2,1-a]isoquinoline"	C16H17NO3	 MF: 673	 RMF: 833	 Prob 7.82%		 Lib: w9n11	 ID: 384778.	64042	64700	43881	31560	71904	47957	56423	54082	45829	46273	68139	51307	59156	15.96673074	15.98147809	15.42130878	14.94580958	16.13378441	15.54945379	15.78399576	15.72286088	15.48397319	15.49788302	16.05619315	15.64686805	15.85223688	15.78983921	15.54301593	15.66360994	1.015880012	0.066579461	0	0	1	1	1.008058759	0.066579461	0	0	1	1	2	black	black
met282	36140	1	37	5807	19.514	88.051132	-342	"Hit 1 : 4,5,6,7-Tetrachloro-2-methylisoindoline-N-oxide"	C9H7Cl4NO	 MF: 686	 RMF: 755	 Prob 87.8%	 CAS: 126134-10-9	 Lib: w9n11	 ID: 423015.	"Hit 2 : 4,5,6,7-Tetrachloro-2-methyl-2H-isoindole"	C9H5Cl4N	 MF: 589	 RMF: 656	 Prob 6.88%	 CAS: 126134-16-5	 Lib: w9n11	 ID: 371644.	"Hit 3 : (exo)-9-methyl-1,2,3,4-tetrahydro-5,6,7,8-tetrachloro-N'-(4'-methylphenyl)-1,4-iminonaphthalene-2,3-dicarboximide"	C20H14Cl4N2O2	 MF: 557	 RMF: 761	 Prob 1.83%	 CAS: 137003-92-0	 Lib: w9n11	 ID: 737391.	54333	31269	9516	29135	61881	32494	36307	33710	20365	5507	14017	7479	8348	15.72954109	14.93244546	13.21613956	14.83046569	15.91720889	14.98788573	15.14796011	15.04088901	14.31380419	12.42705089	13.77488999	12.86862967	13.02721489	14.62604204	15.24518677	14.83421777	0.959387527	0.390251917	0	0	0	0	0.985966518	0.390251917	0	0	0	0	0	black	black
met283	64947	1	126	5822	19.563999	344.993835	124	"Hit 1 : 11-(3',4'-Dichlorophenyl)-2,3,4,11-tetrahydropyrido[2,3-d]pyrimido[1,2-a]pyrimidin-6(6H)-one"	C16H12Cl2N4O	 MF: 878	 RMF: 878	 Prob 82.0%		 Lib: w9n11	 ID: 577690.	Hit 2 : rac-1-(2-Methyl-1-naphthyl)-3-(2-pyridyl)isoquinoline	C25H18N2	 MF: 789	 RMF: 789	 Prob 7.08%		 Lib: w9n11	 ID: 580021.	"Hit 3 : Ethyl 3-cyano-2,3-bis(2',5'-dimethyl-3'-thienyl)-acrylate"	C18H19NO2S2	 MF: 767	 RMF: 767	 Prob 2.80%		 Lib: w9n11	 ID: 576291.	200904	182861	203475	163871	178294	179126	196612	209898	204887	196918	201664	213132	144552	17.61614676	17.48038789	17.63449202	17.32220104	17.44389863	17.45061523	17.58499185	17.67932889	17.64446892	17.58723547	17.62159404	17.70138769	17.14122904	17.57700889	17.40557163	17.63626322	1.009849562	0.06467017	0	0	1	1	0.996640199	0.06467017	0	0	1	1	2	black	black
met284	31733	1	119	5823	19.566999	70.077187	-897	"Hit 1 : 5-Undecene, 3-methyl-, (Z)- (CAS)"	C12H24	 MF: 705	 RMF: 828	 Prob 19.3%	 CAS: 74630-64-1	 Lib: w9n11	 ID: 105602.	"Hit 2 : Isomer of 2-Propyl-1,1,3-trimethylcyclohexane"	C12H24	 MF: 694	 RMF: 926	 Prob 13.3%	 CAS: 81983-70-2	 Lib: w9n11	 ID: 105679.	"Hit 3 : 2-Propyl-1,3,3-trimethylcyclohexane"	C12H24	 MF: 694	 RMF: 923	 Prob 13.3%	 CAS: 81983-69-9	 Lib: w9n11	 ID: 105680.	222984	183106	242337	137636	179726	175841	458203	375877	602251	153428	207310	180335	186690	17.76658067	17.48231954	17.88665517	17.07049834	17.45543961	17.42391197	18.80562738	18.51990111	19.20000536	17.22720227	17.66143018	17.4603199	17.51028513	17.71185179	17.31661664	18.84184462	1.02282404	0.06467017	0	0	1	1	0.940027484	0.06467017	0	0	1	1	2	black	black
met285	53371	1	43	5835	19.608	97.100998	-762	"Hit 1 : 4-Acetyl-3-ethyl-2,2,5-trimethyl-2,3-dihydrofuran"	C11H18O2	 MF: 710	 RMF: 854	 Prob 72.0%		 Lib: w9n11	 ID: 136846.	"Hit 2 : 4,5-o-isopropylidene-4(S),5(R)-dihydroxy-2-cyclohexen-1-one"	C9H12O3	 MF: 672	 RMF: 963	 Prob 17.2%	 CAS: 121651-99-8	 Lib: w9n11	 ID: 103425.	"Hit 3 : 3,5-Dimethyl-6-formyl-4-methoxy-2-pyrone"	C9H10O4	 MF: 633	 RMF: 817	 Prob 4.06%		 Lib: w9n11	 ID: 135350.	180348	162766	203071	139691	147019	146988	291794	238881	422224	187728	73808	169515	162002	17.4604239	17.31243984	17.6316247	17.09187955	17.16564309	17.16533885	18.15459069	17.86593258	18.68764906	17.51828432	16.17148958	17.37105341	17.3056521	17.46816281	17.14095383	18.23605745	1.01908931	0.06467017	0	0	1	1	0.957891412	0.06467017	0	0	1	1	2	black	black
met286	65245	1	174	5856	19.678001	341.016998	-1302	"Hit 1 : (R,S)-6a,7,7-Trideuterio-glaucine"	C21H22D3NO4	 MF: 611	 RMF: 651	 Prob 16.7%		 Lib: w9n11	 ID: 597897.	"Hit 2 : Ethyl 4-(chloromethylene)-2,2-diphenyl-3-oxazoline-5-carboxylate"	C19H16ClNO3	 MF: 608	 RMF: 777	 Prob 14.8%		 Lib: w9n11	 ID: 567372.	"Hit 3 : (+-)-5,7-Di-tert-butyl-1-methyl-benzo[c]-9,10-phenanthrenequinone"	C27H28O2	 MF: 593	 RMF: 692	 Prob 8.94%		 Lib: w9n11	 ID: 651997.	1330000	1360000	1160000	734587	699174	850152	937347	923089	858504	1070000	1130000	1080000	1110000	20.34299482	20.37517522	20.14569337	19.48657384	19.41529201	19.69736128	19.8382237	19.81611023	19.71146533	20.02917937	20.10789134	20.04259988	20.08212825	20.28795447	19.53307571	19.78859975	1.03864618	0.06467017	0	0	1	1	1.025234465	0.06467017	0	0	1	1	2	black	black
met287	31734	1	53	5861	19.695	69.069695	-984	"Hit 1 : 2-Nonanol, 5-ethyl-"	C11H24O	 MF: 702	 RMF: 742	 Prob 11.3%	 CAS: 103-08-2	 Lib: replib	 ID: 4085.	"Hit 2 : 2-Nonanol, 5-ethyl-"	C11H24O	 MF: 702	 RMF: 742	 Prob 11.3%	 CAS: 103-08-2	 Lib: w9n11	 ID: 114459.	"Hit 3 : 2-Nonanol, 5-ethyl- (CAS)"	C11H24O	 MF: 702	 RMF: 742	 Prob 11.3%	 CAS: 103-08-2	 Lib: w9n11	 ID: 114467.	204942	169477	255472	134223	150101	165806	417095	332467	539659	155498	172077	183905	137311	17.64485615	17.37072997	17.96280565	17.03427238	17.19557406	17.33913669	18.67001649	18.34285162	19.04168856	17.2465365	17.39269475	17.48860118	17.06708768	17.65946392	17.18966104	18.68485222	1.027330549	0.066579461	0	0	1	1	0.945121948	0.066579461	0	0	1	1	2	black	black
met288	63773	1	164	5881	19.761999	341.01825	-135	"Hit 1 : Ethyl 4-(chloromethylene)-2,2-diphenyl-3-oxazoline-5-carboxylate"	C19H16ClNO3	 MF: 868	 RMF: 868	 Prob 57.0%		 Lib: w9n11	 ID: 567372.	Hit 2 : 7-[(4'-Formphenyl)ethynyl]-10-methyl-10H-phenothiazine	C22H15NOS	 MF: 818	 RMF: 818	 Prob 11.6%		 Lib: w9n11	 ID: 568049.	"Hit 3 : 3-Formyl-N-methyl-9-[phenylethynyl]dibenzo[2,3-a : 5,6-a'] (1,4)-thiazine"	C22H15NOS	 MF: 817	 RMF: 817	 Prob 11.1%		 Lib: w9n11	 ID: 568046.	6200000	6620000	6030000	4240000	3980000	4490000	4490000	4860000	4500000	5980000	5010000	5870000	4490000	22.56383678	22.65839979	22.52372657	22.01563283	21.924337	22.09828401	22.09828401	22.21252488	22.10149357	22.51171405	22.25637917	22.48492907	22.09828401	22.58198771	22.01275128	22.13743416	1.025859395	0.06467017	0	0	1	1	1.02008153	0.06467017	0	0	1	1	2	black	black
met289	38123	1	42	5901	19.829	69.069702	-1660	Hit 1 : 4-methyl-5-pentylfuran-2(5H)-one	C10H16O2	 MF: 652	 RMF: 718	 Prob 7.54%	 CAS: 126126-91-8	 Lib: w9n11	 ID: 104274.	"Hit 2 : 3-hydroxy-2,2-dimethylnonanitrile"	C11H21NO	 MF: 648	 RMF: 839	 Prob 6.37%	 CAS: 138785-89-4	 Lib: w9n11	 ID: 138928.	Hit 3 : 4-Ethyl-2-hydroxycyclopent-2-en-1-one	C7H10O2	 MF: 646	 RMF: 813	 Prob 5.87%	 CAS: 28017-62-1	 Lib: w9n11	 ID: 30983.	190463	147032	226406	123544	138775	153474	404120	332958	517721	134912	132363	165356	120150	17.53915124	17.16577065	17.78855267	16.91466542	17.08238817	17.22763474	18.62442423	18.34498068	18.98181531	17.04165915	17.01414037	17.33521587	16.87447712	17.49782485	17.07489611	18.65040674	1.024769037	0.065383426	0	0	1	1	0.93820071	0.065383426	0	0	1	1	2	black	black
met290	48913	1	39	5926	19.913	137.058243	-484	"Hit 1 : (5E)-5-Ethylidene-2-hydroxy-3,4-dimethylcyclopent-2-enone"	C9H12O2	 MF: 766	 RMF: 933	 Prob 40.1%		 Lib: w9n11	 ID: 70767.	"Hit 2 : (1?,4?,4a?,9a?,11s)-11-chloro-1,4,4a,9a-tetrahydro-1,2,3,4,11-pentamethyl-1,4-methanoanthracene-9,10-dione"	C20H21ClO2	 MF: 752	 RMF: 852	 Prob 25.1%		 Lib: w9n11	 ID: 537953.	"Hit 3 : 2,5-Dimethoxytoluene"	C9H12O2	 MF: 739	 RMF: 900	 Prob 16.2%	 CAS: 24599-58-4	 Lib: w9n11	 ID: 70337.	27886	23330	38167	27597	21815	26143	15651	25045	15603	52839	63620	59422	20259	14.76725339	14.50989869	15.22003817	14.75222382	14.41303285	14.67413708	13.93396722	14.61223499	13.92953582	15.68931554	15.95719275	15.85870954	14.30627534	14.83239675	14.61313125	14.15857934	1.015004689	0.066579461	0	0	1	1	1.04759075	0.066579461	0	0	1	1	2	black	black
met291	35254	1	73	5936	19.945999	84.092651	-897	"Hit 1 : Hexanal, 3,3-dimethyl- (CAS)"	C8H16O	 MF: 705	 RMF: 801	 Prob 23.4%	 CAS: 55320-57-5	 Lib: w9n11	 ID: 34188.	"Hit 2 : Hexanal, 3,3-dimethyl-"	C8H16O	 MF: 704	 RMF: 798	 Prob 23.4%	 CAS: 55320-57-5	 Lib: w9n11	 ID: 34189.	"Hit 3 : Hexanal, 3,3-dimethyl-"	C8H16O	 MF: 704	 RMF: 798	 Prob 23.4%	 CAS: 55320-57-5	 Lib: mainlib	 ID: 53688.	457845	373006	527886	308457	336920	362778	891541	715730	1190000	457705	454582	421741	421303	18.80449974	18.50883931	19.00986688	18.23470986	18.36204655	18.46872744	19.76594162	19.44905593	20.18253014	18.80405853	18.79418103	18.68599776	18.68449866	18.77440198	18.35516128	19.7991759	1.02284048	0.06467017	0	0	1	1	0.948241587	0.06467017	0	0	1	1	2	black	black
met292	2926	1	10	5946	19.980001	74.035538	-101	"Hit 1 : Octanoic acid, methyl ester (CAS)"	C9H18O2	 MF: 840	 RMF: 903	 Prob 86.8%	 CAS: 111-11-5	 Lib: w9n11	 ID: 83423.	"Hit 2 : Octanoic acid, methyl ester (CAS)"	C9H18O2	 MF: 835	 RMF: 839	 Prob 86.8%	 CAS: 111-11-5	 Lib: w9n11	 ID: 83419.	"Hit 3 : Octanoic acid, methyl ester (CAS)"	C9H18O2	 MF: 827	 RMF: 831	 Prob 86.8%	 CAS: 111-11-5	 Lib: w9n11	 ID: 83420.	5662	3406	500	500	3774	500	500	500	500	500	500	500	500	12.46709603	11.73386272	8.965784285	8.965784285	11.88187871	8.965784285	8.965784285	8.965784285	8.965784285	8.965784285	8.965784285	8.965784285	8.965784285	11.05558101	9.937815759	8.965784285	1.112475949	0.065383426	1	0	1	2	1.233085769	0.065383426	1	0	1	2	4	red	red
met4	51416	0.858191	49	5946	19.980001	55.054363	-1276	Hit 1 : Cyclohexyl Carbamoyl Azide	C7H12N4O	 MF: 631	 RMF: 675	 Prob 11.2%		 Lib: w9n11	 ID: 102670.	Hit 2 : 1-(2-THIENYL)-3-PENTANONE	C9H12OS	 MF: 629	 RMF: 807	 Prob 10.3%	 CAS: 69997-09-7	 Lib: w9n11	 ID: 103222.	Hit 3 : Cyclododecane (CAS)	C12H24	 MF: 618	 RMF: 639	 Prob 7.06%	 CAS: 294-62-2	 Lib: w9n11	 ID: 105694.	99565	82858	120047	71247	76060	82488	235403	143527	262831	82162	82938	89354	87616	16.60335106	16.33835338	16.87323983	16.12054165	16.21485032	16.33189664	17.84477318	17.13096263	18.00377592	16.32618368	16.33974564	16.44724469	16.41890673	16.60498142	16.22242953	17.65983725	1.023581664	0.06467017	0	0	1	1	0.940268089	0.06467017	0	0	1	1	2	black	black
met293	64948	1	89	5972	20.066999	61.010178	-181	"Hit 1 : 11-(3',4'-Dichlorophenyl)-2,3,4,11-tetrahydropyrido[2,3-d]pyrimido[1,2-a]pyrimidin-6(6H)-one"	C16H12Cl2N4O	 MF: 848	 RMF: 848	 Prob 55.1%		 Lib: w9n11	 ID: 577690.	Hit 2 : rac-1-(2-Methyl-1-naphthyl)-3-(2-pyridyl)isoquinoline	C25H18N2	 MF: 795	 RMF: 795	 Prob 10.9%		 Lib: w9n11	 ID: 580021.	"Hit 3 : 2-Chloro-11-phenylthiochromeno[2,3-b]indole"	C21H12ClNS	 MF: 786	 RMF: 875	 Prob 7.91%		 Lib: w9n11	 ID: 576804.	2540000	2540000	1110000	1370000	2290000	1810000	1130000	1860000	1960000	500	2246	383685	500	21.27639707	21.27639707	20.08212825	20.38574446	21.12691617	20.78755827	20.10789134	20.82687119	20.90242222	8.965784285	11.13314221	18.54956284	8.965784285	20.87830746	20.76673963	20.61239492	1.005372429	0.066579461	0	0	1	1	1.012900614	0.066579461	0	0	1	1	2	black	black
met294	35809	1	42	6013	20.205002	71.085098	-1296	"Hit 1 : Dodecane, 2-methyl-6-propyl-"	C16H34	 MF: 600	 RMF: 696	 Prob 24.1%	 CAS: 55045-08-4	 Lib: mainlib	 ID: 24373.	"Hit 2 : Dodecane, 2-methyl-6-propyl-"	C16H34	 MF: 600	 RMF: 696	 Prob 24.1%	 CAS: 55045-08-4	 Lib: w9n11	 ID: 257131.	"Hit 3 : Dodecane, 2-methyl-6-propyl- (CAS)"	C16H34	 MF: 600	 RMF: 696	 Prob 24.1%	 CAS: 55045-08-4	 Lib: w9n11	 ID: 257132.	53925	34788	58917	33448	35508	41690	89182	74170	110342	40703	40893	39168	39074	15.71866665	15.08630212	15.84639635	15.02963233	15.11585648	15.34741375	16.44446493	16.17854815	16.75162251	15.31284751	15.31956629	15.25738784	15.25392133	15.55045504	15.16430085	16.45821186	1.025464688	0.06467017	0	0	1	1	0.944844748	0.06467017	0	0	1	1	2	black	black
met295	63723	1	227	6037	20.285	341.017487	-229	"Hit 1 : Ethyl 4-(chloromethylene)-2,2-diphenyl-3-oxazoline-5-carboxylate"	C19H16ClNO3	 MF: 835	 RMF: 836	 Prob 75.3%		 Lib: w9n11	 ID: 567372.	Hit 2 : 3-Cyano-2-(4'-fluorophenyl)-6-phenyl-4-(trifluoromethyl)pyridine	C19H10F4N2	 MF: 786	 RMF: 795	 Prob 15.5%		 Lib: w9n11	 ID: 569464.	Hit 3 : 7-[(4'-Formphenyl)ethynyl]-10-methyl-10H-phenothiazine	C22H15NOS	 MF: 762	 RMF: 763	 Prob 5.17%		 Lib: w9n11	 ID: 568049.	8330000	8330000	8330000	8320000	8320000	8320000	7790000	8330000	8320000	8330000	8330000	8330000	8320000	22.98988506	22.98988506	22.98988506	22.9881521	22.9881521	22.9881521	22.8931919	22.98988506	22.9881521	22.98988506	22.98988506	22.98988506	22.9881521	22.98988506	22.9881521	22.95707635	1.000075385	0.06467017	0	0	1	1	1.001429133	0.06467017	0	0	1	1	2	black	black
met296	34582	1	39	6097	20.487	97.100769	-760	Hit 1 : 3-(3'-Methylazacyclodecan-1'-yl)propylamine	C13H28N2	 MF: 562	 RMF: 646	 Prob 58.1%		 Lib: w9n11	 ID: 215937.	Hit 2 : Haliclorensin	C13H28N2	 MF: 511	 RMF: 582	 Prob 11.7%		 Lib: w9n11	 ID: 215938.	Hit 3 : 1-Thiophen-2-ylmethyl-piperazine	C9H14N2S	 MF: 511	 RMF: 575	 Prob 11.7%	 CAS: 39244-79-6	 Lib: mainlib	 ID: 69978.	78121	65113	73920	56561	55435	55435	117093	94346	146126	75841	74966	70063	69685	16.2534228	15.99065799	16.17367714	15.78752001	15.75850952	15.75850952	16.83729531	16.52567373	17.15685337	16.21069037	16.19394881	16.09636514	16.08856052	16.13925264	15.76817968	16.8399408	1.023533025	0.06467017	0	0	1	1	0.958391293	0.06467017	0	0	1	1	2	black	black
met297	24522	1	12	6105	20.513	268.068542	-1449	"Hit 1 : Bis(trimethylsilyl) ether of N-(2,7-octadienyl)-N-(2-methylethanol)-2-aminoethanol"	C19H39NO3Si2	 MF: 575	 RMF: 807	 Prob 45.4%		 Lib: w9n11	 ID: 652651.	"Hit 2 : [6aR-(6aa,7b,10ab)]-4-acetyl-2-methoxy-7-methoxymethyl-7,10a-dimethyl-4,6,6a,7,8,9,10,10a-octahydrophenanthro[1,10-cd]pyrazole"	C21H28N2O3	 MF: 570	 RMF: 570	 Prob 36.6%		 Lib: w9n11	 ID: 599866.	"Hit 3 : 3-[3',5'-bis(Trimethylsilyl)oxy]-phenyl)-1-[(trimethylsilyl)oxy]-propane"	C18H36O3Si3	 MF: 541	 RMF: 819	 Prob 10.4%		 Lib: w9n11	 ID: 650313.	500	500	500	500	500	500	500	500	500	500	500	500	500	8.965784285	8.965784285	8.965784285	8.965784285	8.965784285	8.965784285	8.965784285	8.965784285	8.965784285	8.965784285	8.965784285	8.965784285	8.965784285	8.965784285	8.965784285	8.965784285	1	0.066579461	0	0	1	1	1	0.066579461	0	0	1	1	2	black	black
met298	64133	1	175	6106	20.517	266.998718	473	"Hit 1 : Cyclopentasiloxane, decamethyl-"	C10H30O5Si5	 MF: 921	 RMF: 923	 Prob 92.4%	 CAS: 541-02-6	 Lib: mainlib	 ID: 234336.	"Hit 2 : Cyclopentasiloxane, decamethyl-"	C10H30O5Si5	 MF: 921	 RMF: 923	 Prob 92.4%	 CAS: 541-02-6	 Lib: w9n11	 ID: 625384.	"Hit 3 : Cyclopentasiloxane, decamethyl- (CAS)"	C10H30O5Si5	 MF: 921	 RMF: 922	 Prob 92.4%	 CAS: 541-02-6	 Lib: w9n11	 ID: 625386.	8240000	8290000	7470000	7010000	7480000	7640000	7960000	7970000	8100000	8270000	7990000	8210000	7820000	22.97421291	22.98294067	22.83267681	22.74098301	22.83460684	22.86514121	22.924337	22.92614829	22.94949048	22.9794559	22.92976407	22.96895079	22.89873718	22.92994346	22.81357702	22.93332526	1.005100754	0.071106275	0	0	1	1	0.999852538	0.071106275	0	0	1	1	2	black	black
met22	62858	0.979261	72	6141	20.634001	281.052063	-197	"Hit 1 : 7,7-Bis(methylthio)-6-methyl-1-(2-thienyl)-2,4,6-heptatriien-1-one"	C14H16OS3	 MF: 873	 RMF: 875	 Prob 26.7%		 Lib: w9n11	 ID: 452955.	"Hit 2 : 9-(Methylthio)-8H-acenaphtho[1,2-c]pyrrole-7-carboxylic Acid"	C16H11NO2S	 MF: 863	 RMF: 870	 Prob 18.8%		 Lib: w9n11	 ID: 412343.	"Hit 3 : 2-methoxy[1]benzothieno[2,3-c]quinolin-6(5H)-one"	C16H11NO2S	 MF: 855	 RMF: 862	 Prob 14.0%	 CAS: 70453-75-7	 Lib: w9n11	 ID: 412332.	507938	374512	356276	208416	254148	272473	259658	366430	271026	134106	305226	224753	343176	18.95429288	18.51465242	18.44263578	17.66910651	17.95530935	18.05575375	17.98625315	18.4831781	18.04807173	17.03301426	18.21951833	17.77798085	18.38858914	18.63719369	17.89338987	18.17250099	1.041568637	0.089400782	0	0	1	1	1.025571202	0.089400782	0	0	1	1	2	black	black
met299	65247	1	47	6154	20.678001	267.000854	-1008	Hit 1 : Methyl 4-[4'-(N-phenylaminocarbonyl)benzoyl]-benzoate	C22H17NO4	 MF: 615	 RMF: 857	 Prob 26.7%		 Lib: w9n11	 ID: 606002.	Hit 2 : 2-[2'-(p-Chlorophenyl)-1'-methylethenyl]-benzimidazole	C16H13ClN2	 MF: 579	 RMF: 862	 Prob 6.60%		 Lib: w9n11	 ID: 375967.	"Hit 3 : 9-Methoxy-5-methyl-6-phenyl-3,4,5,6-tetrahydro-2H-1,5-benzoxazocinium iodide monohydrate"	C18H20NO2	 MF: 576	 RMF: 839	 Prob 5.83%	 CAS: 89718-99-0	 Lib: w9n11	 ID: 416249.	84287	83411	51785	33058	51456	39239	42234	43957	41450	27630	61182	55396	57108	16.36302251	16.34795003	15.66024665	15.01271182	15.65105169	15.26000065	15.36611727	15.42380531	15.33908448	14.75394794	15.90081965	15.75749419	15.80140524	16.12373973	15.30792139	15.37633569	1.053293868	0.070715784	0	0	1	1	1.048607423	0.070715784	0	0	1	1	2	black	black
met300	35323	1	21	6166	20.717999	84.092834	-224	"Hit 1 : 4-diazo-2,2,6,6-tetramethyl-3,5-heptanedione"	C11H18N2O2	 MF: 866	 RMF: 912	 Prob 40.1%	 CAS: 60681-09-6	 Lib: w9n11	 ID: 209004.	"Hit 2 : Propane, 1-isocyanato-"	C4H7NO	 MF: 854	 RMF: 987	 Prob 26.7%	 CAS: 110-78-1	 Lib: w9n11	 ID: 4571.	"Hit 3 : Propane, 1-isocyanato-"	C4H7NO	 MF: 854	 RMF: 987	 Prob 26.7%	 CAS: 110-78-1	 Lib: replib	 ID: 5364.	103715	83688	109805	74966	78741	83588	163995	143103	213970	100342	98032	95662	96086	16.66226504	16.35273315	16.74458422	16.19394881	16.26482741	16.35100822	17.3232923	17.12669439	17.70704901	16.61456607	16.58096514	16.54565833	16.55203862	16.58652747	16.26992815	17.38567857	1.019459172	0.06467017	0	0	1	1	0.954033943	0.06467017	0	0	1	1	2	black	black
met301	64981	1	31	6192	20.805	224.025238	189	"Hit 1 : (5R,6R)-6-tert-Butyldiphenylsiloxyspiro[4.5]decane-1-one"	C26H34O2Si	 MF: 921	 RMF: 991	 Prob 63.4%		 Lib: w9n11	 ID: 685563.	"Hit 2 : 1-Benzoyl-5-phenyl-3H-pyrrolo[2,1,5-de]quinolizin-3-one"	C24H15NO2	 MF: 877	 RMF: 877	 Prob 13.7%		 Lib: w9n11	 ID: 585759.	"Hit 3 : 1-Benzoyl-3-phenyl-5H-pyrrolo[2,1,5-de]quinolizin-5-one"	C24H15NO2	 MF: 877	 RMF: 877	 Prob 13.7%		 Lib: w9n11	 ID: 585760.	11421	12724	12229	13188	15244	11993	15303	14031	12762	10865	13060	13122	26974	13.47940136	13.63526466	13.57801881	13.68693817	13.89595389	13.54990497	13.90152689	13.77633021	13.63956682	13.40740055	13.67286728	13.67970001	14.71928186	13.56422828	13.71093234	13.77247464	0.989300212	0.06467017	0	0	1	1	0.984879525	0.06467017	0	0	1	1	2	black	black
met302	28394	1	68	6212	20.872	132.005829	-471	Hit 1 : (+-)-trans-1-Benylidene-2-methyl-3-phenylaziridine	C16H17N	 MF: 710	 RMF: 825	 Prob 47.7%		 Lib: w9n11	 ID: 247395.	"Hit 2 : anti-(2RS,3SR)-3-Hydroxy-3,4-dimethylthiaolane"	C6H12OS	 MF: 703	 RMF: 798	 Prob 36.5%		 Lib: w9n11	 ID: 38798.	"Hit 3 : (2S,3R)-(+)-1-Benzyl-2-methyl-3-phenylaziridine"	C16H17N	 MF: 676	 RMF: 849	 Prob 10.7%		 Lib: w9n11	 ID: 247397.	204029	163585	249803	114093	42709	49747	1220000	73231	755705	500	500	500	500	17.6384147	17.31968094	17.93043128	16.79985075	15.3822525	15.60232191	20.21844972	16.16016688	19.52746364	8.965784285	8.965784285	8.965784285	8.965784285	17.62950897	15.92814172	18.63536008	1.106815176	0.06467017	1	0	1	2	0.946024595	0.06467017	0	0	1	1	3	red	black
met303	65225	1	24	6245	20.983	266.998352	-373	Hit 1 : Methyl 4-[4'-(N-phenylaminocarbonyl)benzoyl]-benzoate	C22H17NO4	 MF: 698	 RMF: 883	 Prob 87.6%		 Lib: w9n11	 ID: 606002.	"Hit 2 : 8-Benzyl-4-(methylthio)-2-phenyl-8H-pyrido[2,3-d]pyrimidin-5-one"	C21H17N3OS	 MF: 610	 RMF: 721	 Prob 7.64%		 Lib: w9n11	 ID: 605871.	Hit 3 : Didehydro-7-[methoxy*]-9-methoxyabietic acid - methyl ester	C23H34O4	 MF: 578	 RMF: 701	 Prob 2.04%		 Lib: w9n11	 ID: 634932.	35264	30151	27640	19107	19449	23648	39538	27454	24875	500	25351	500	500	15.10590851	14.87991823	14.75447	14.22181366	14.24740836	14.52943055	15.27095227	14.74472874	14.60240891	8.965784285	14.62975504	8.965784285	8.965784285	14.91343225	14.33288419	14.87269664	1.040504622	0.17713222	0	0	0	0	1.002738952	0.17713222	0	0	0	0	0	black	black
met304	45091	1	15	6246	20.986	97.100594	-449	"Hit 1 : (3aS,6ac)-Dihydro-4H-cyclopenta[b]furan-2(R)-3-carboxylic acid 4-methyl-5-oxo-2,5-dighydrofutran-2-yl ester"	C13H12O5	 MF: 657	 RMF: 800	 Prob 41.6%		 Lib: w9n11	 ID: 317212.	"Hit 2 : (3aR,6ac)-Dihydro-4H-cyclopenta[b]furan-2(R)-3-carboxylic acid 4-methyl-5-oxo-2,5-dighydrofutran-2-yl ester"	C13H12O5	 MF: 657	 RMF: 800	 Prob 41.6%		 Lib: w9n11	 ID: 317213.	"Hit 3 : Heptane, 1,1-dichloro- (CAS)"	C7H14Cl2	 MF: 574	 RMF: 801	 Prob 4.07%	 CAS: 821-25-0	 Lib: w9n11	 ID: 102677.	53062	44043	53033	39384	37973	38413	84689	63305	108446	52923	56171	47507	48693	15.69539143	15.42662512	15.69460274	15.26532202	15.21268636	15.22930702	16.36988697	15.95003183	16.72661732	15.69160722	15.77753787	15.53585249	15.57142677	15.60553977	15.2357718	16.34884537	1.024269723	0.06467017	0	0	1	1	0.954534673	0.06467017	0	0	1	1	2	black	black
met305	42262	1	33	6255	21.017	119.084709	-695	"Hit 1 : (+-)-trans-p-Menthan-1,8-dien-5-acetate"	C12H18O2	 MF: 717	 RMF: 990	 Prob 28.9%		 Lib: w9n11	 ID: 166689.	"Hit 2 : (Z)-1,2-Epoxy-2-deuterio-1,4-diphenylbutane"	C16H15DO	 MF: 711	 RMF: 981	 Prob 22.7%		 Lib: w9n11	 ID: 251376.	"Hit 3 : (E)-1,2-Epoxy-2-deuterio-1,4-diphenylbutane"	C16H15DO	 MF: 710	 RMF: 980	 Prob 21.8%		 Lib: w9n11	 ID: 251375.	29242	27229	28142	19299	24772	24166	49654	37421	51348	23768	28027	24814	27199	14.83575437	14.73285638	14.78043724	14.23623847	14.59642273	14.56069107	15.59962232	15.19156049	15.64802046	14.53673289	14.77452971	14.59886669	14.73126599	14.783016	14.46445076	15.47973443	1.022024012	0.06467017	0	0	1	1	0.954991577	0.06467017	0	0	1	1	2	black	black
met306	65144	1	53	6262	21.040001	266.999023	143	"Hit 1 : Cyclopentasiloxane, decamethyl- (CAS)"	C10H30O5Si5	 MF: 835	 RMF: 863	 Prob 89.5%	 CAS: 541-02-6	 Lib: w9n11	 ID: 625386.	"Hit 2 : Cyclopentasiloxane, decamethyl-"	C10H30O5Si5	 MF: 834	 RMF: 863	 Prob 89.5%	 CAS: 541-02-6	 Lib: mainlib	 ID: 234336.	"Hit 3 : Cyclopentasiloxane, decamethyl-"	C10H30O5Si5	 MF: 834	 RMF: 863	 Prob 89.5%	 CAS: 541-02-6	 Lib: w9n11	 ID: 625384.	46916	51248	41384	36874	36501	43591	49378	48119	46894	94752	47231	64864	42668	15.5177924	15.64520808	15.33678548	15.1703163	15.15564837	15.41174268	15.59158078	15.55431904	15.51711572	16.53186878	15.52744646	15.98513037	15.38086687	15.49992865	15.24590245	15.55433852	1.016661933	0.113193132	0	0	0	0	0.996501949	0.113193132	0	0	0	0	0	black	black
met307	53377	1	24	6274	21.080002	97.100784	-320	Hit 1 : 2-Butyloxybenzohydroquinone	C10H14O3	 MF: 810	 RMF: 864	 Prob 63.9%		 Lib: w9n11	 ID: 136047.	"Hit 2 : 5-Methoxy-1,3-benzoxathiol-2-one"	C8H6O3S	 MF: 772	 RMF: 824	 Prob 15.3%		 Lib: w9n11	 ID: 134831.	Hit 3 : 4-Butoxycatechol	C10H14O3	 MF: 770	 RMF: 820	 Prob 14.1%		 Lib: w9n11	 ID: 136067.	90636	81220	97754	63565	68510	69938	153786	117970	178444	94479	83687	86848	86535	16.46779657	16.30954741	16.57686812	15.95594499	16.06402696	16.09378892	17.23056465	16.8480605	17.44511187	16.52770607	16.35271591	16.40620501	16.40099614	16.45140403	16.03792029	17.17457901	1.025781631	0.06467017	0	0	1	1	0.95789271	0.06467017	0	0	1	1	2	black	black
met308	52133	1	20	6282	21.107	175.036041	-233	Hit 1 : 3-[1-Hydroxy-1-(4-trifluoromethylphenyl)methyl]-3-buten-2-one	C12H11F3O2	 MF: 784	 RMF: 868	 Prob 74.0%		 Lib: w9n11	 ID: 305718.	"Hit 2 : 3-ISOPROPYLIDENE-4-METHYL-1,2-BIS(TRIFLUOROMETHYL)CYCLOBUTENE"	C10H10F6	 MF: 756	 RMF: 834	 Prob 21.4%	 CAS: 68930-27-8	 Lib: w9n11	 ID: 305184.	"Hit 3 : 1-(2-Amino-5-hydroxy-1H-indole-3-yl)-2,2,2-trifluoromethanone"	C10H7F3N2O2	 MF: 680	 RMF: 859	 Prob 2.69%		 Lib: w9n11	 ID: 305147.	30620	28812	26609	31925	39186	33778	42734	36404	36609	26053	32619	30752	65295	14.90218666	14.81438219	14.69962667	14.962399	15.25805069	15.04379629	15.38309674	15.15180936	15.15991075	14.66916189	14.99342493	14.90839262	15.9946849	14.80539851	15.08808199	15.23160562	0.981264452	0.06467017	0	0	1	1	0.972018242	0.06467017	0	0	1	1	2	black	black
met309	62918	1	25	6329	21.264999	105.059052	-746	"Hit 1 : (E)-2-(Benzoylamino)-3-(3,5-dimethyl-1H-pyrazol-4-yl)propenoic acid"	C15H15N3O3	 MF: 666	 RMF: 827	 Prob 55.3%		 Lib: w9n11	 ID: 423772.	Hit 2 : 6-Phenyl-2-(benzylamino]-nicotinonitrile	C19H15N3	 MF: 624	 RMF: 815	 Prob 12.4%		 Lib: w9n11	 ID: 424742.	Hit 3 : 5-[(Dimethylamino)carbonyl]-6-methyl-2-pyrazinyl Benzoate	C15H15N3O3	 MF: 617	 RMF: 761	 Prob 9.51%		 Lib: w9n11	 ID: 423790.	500	500	500	500	184316	500	500	500	500	500	500	500	500	8.965784285	8.965784285	8.965784285	8.965784285	17.49182179	8.965784285	8.965784285	8.965784285	8.965784285	8.965784285	8.965784285	8.965784285	8.965784285	8.965784285	11.80779679	8.965784285	0.759310517	0.06467017	0	1	1	2	1	0.06467017	0	0	1	1	3	red	black
met310	7528	1	41	6342	21.309002	107.073669	-1275	Hit 1 : 6-Methylcyclohexa[b]pyrrole	C9H13N	 MF: 543	 RMF: 774	 Prob 24.8%		 Lib: w9n11	 ID: 42732.	Hit 2 : 2-Isobutyl-4-methylpyridine	C10H15N	 MF: 542	 RMF: 622	 Prob 23.9%	 CAS: 85665-88-9	 Lib: w9n11	 ID: 64998.	Hit 3 : 2-Isobutyl-4-methylpyridine	C10H15N	 MF: 542	 RMF: 622	 Prob 23.9%	 CAS: 85665-88-9	 Lib: mainlib	 ID: 84176.	55962	77689	80899	12940	16751	19773	162017	92390	51567	16982	125899	18150	139882	15.7721599	16.24542272	16.30383425	13.65955	14.0319596	14.27124416	17.30578567	16.49544909	15.6541605	14.05171876	16.9419073	14.14768193	17.0938508	16.10713896	13.98758459	16.48513175	1.151531121	0.067765474	1	0	1	2	0.977070684	0.067765474	0	0	1	1	3	red	black
met311	40948	1	37	6397	21.492998	71.085159	-301	"Hit 1 : Heptane, 2,5,5-trimethyl-"	C10H22	 MF: 846	 RMF: 896	 Prob 24.1%	 CAS: 1189-99-7	 Lib: replib	 ID: 9129.	"Hit 2 : Heptane, 2,5,5-trimethyl-"	C10H22	 MF: 846	 RMF: 896	 Prob 24.1%	 CAS: 1189-99-7	 Lib: w9n11	 ID: 54926.	"Hit 3 : Heptane, 2,5,5-trimethyl- (CAS)"	C10H22	 MF: 846	 RMF: 896	 Prob 24.1%	 CAS: 1189-99-7	 Lib: w9n11	 ID: 54929.	282706	233854	327594	196641	202556	213733	582022	408503	747219	304506	310351	280129	275925	18.10894298	17.83524858	18.32154941	17.58520463	17.62796129	17.70545015	19.15071416	18.63998715	19.51117161	18.21611113	18.24354127	18.09573182	18.07391665	18.08858032	17.63953869	19.10062431	1.02545654	0.06467017	0	0	1	1	0.947015136	0.06467017	0	0	1	1	2	black	black
met312	64559	1	29	6422	21.577	330.94043	-223	"Hit 1 : 3-O-Pivaloyl-5,6-O,S-carbonyl-1,2-O-isopropylidene-5(S)-?,D-glucofuranose"	C15H22O7S	 MF: 820	 RMF: 866	 Prob 43.8%		 Lib: w9n11	 ID: 577607.	"Hit 2 : 5,6-O,S-Carbonyl-1,2-O-isopropylidene-6(S)-pivaloyl-?,D-idofuramose"	C15H22O7S	 MF: 814	 RMF: 860	 Prob 34.4%		 Lib: w9n11	 ID: 577606.	"Hit 3 : 2-Acetyl-3-methyl-5,6-diphenylimidazo[2,1-b]thiazole"	C20H16N2OS	 MF: 789	 RMF: 817	 Prob 10.5%		 Lib: w9n11	 ID: 547443.	22203	24862	14294	12926	22791	12940	22042	13163	12372	15210	16657	18111	11347	14.438467	14.60165474	13.80312207	13.65798828	14.47617661	13.65955	14.42796751	13.68420071	13.59479112	13.89273253	14.02384097	14.14457859	13.4700233	14.28108127	13.93123829	13.90231978	1.025112124	0.200749237	0	0	0	0	1.027244481	0.200749237	0	0	0	0	0	black	black
met313	40289	1	43	6446	21.658001	57.069706	-370	"Hit 1 : 2-Propanamine, N,N'-1,2-ethanediylidenebis[2-methyl- (CAS)"	C10H20N2	 MF: 722	 RMF: 735	 Prob 47.0%	 CAS: 30834-74-3	 Lib: w9n11	 ID: 104958.	"Hit 2 : 1,2-Bis(tert-butylimino)ethane"	C10H20N2	 MF: 701	 RMF: 712	 Prob 47.0%	 CAS: 30834-74-3	 Lib: w9n11	 ID: 104957.	"Hit 3 : 2-Propanamine, N,N'-1,2-ethanediylidenebis[2-methyl- (CAS)"	C10H20N2	 MF: 701	 RMF: 712	 Prob 47.0%	 CAS: 30834-74-3	 Lib: w9n11	 ID: 104959.	338982	279563	365750	230846	254500	278994	727327	552928	902018	341582	348167	319300	326088	18.37084914	18.09281391	18.48049834	17.81657121	17.95730613	18.08987457	19.47224461	19.07673211	19.7827967	18.38187243	18.40941994	18.28455303	18.31490183	18.31472046	17.95458397	19.44392447	1.020058192	0.06467017	0	0	1	1	0.941925098	0.06467017	0	0	1	1	2	black	black
met314	64982	1	32	6462	21.711	105.033623	-331	"Hit 1 : 2-[6-[2-(Trimethylsilyl)ethynyl]-2-pyridyl]-3-(trimethylsilyl)-6,7-dihydro-5H-cyclopenta[b]pyridine"	C21H28N2Si2	 MF: 844	 RMF: 901	 Prob 23.0%		 Lib: w9n11	 ID: 615621.	"Hit 2 : 1-Benzoyl-5-phenyl-3H-pyrrolo[2,1,5-de]quinolizin-3-one"	C24H15NO2	 MF: 830	 RMF: 830	 Prob 14.4%		 Lib: w9n11	 ID: 585759.	"Hit 3 : 1-Benzoyl-3-phenyl-5H-pyrrolo[2,1,5-de]quinolizin-5-one"	C24H15NO2	 MF: 830	 RMF: 830	 Prob 14.4%		 Lib: w9n11	 ID: 585760.	147924	139871	105136	99082	117578	102422	115860	115203	103161	83861	118461	85369	119835	17.17449662	17.09373735	16.68189723	16.59633537	16.84325862	16.64416611	16.82202304	16.81381876	16.65453814	16.35571241	16.85405264	16.38142466	16.87068981	16.98337706	16.6945867	16.76345998	1.017298443	0.06467017	0	0	1	1	1.013118836	0.06467017	0	0	1	1	2	black	black
met315	46657	1	34	6472	21.744999	57.069904	-591	"Hit 1 : Octane, 2,2-dimethyl-"	C10H22	 MF: 779	 RMF: 879	 Prob 9.24%	 CAS: 15869-87-1	 Lib: replib	 ID: 6297.	"Hit 2 : Octane, 2,2-dimethyl-"	C10H22	 MF: 779	 RMF: 879	 Prob 9.24%	 CAS: 15869-87-1	 Lib: w9n11	 ID: 54960.	"Hit 3 : Octane, 2,2-dimethyl- (CAS)"	C10H22	 MF: 779	 RMF: 879	 Prob 9.24%	 CAS: 15869-87-1	 Lib: w9n11	 ID: 54961.	143936	131250	154370	109860	118742	116468	309826	214204	392735	149439	147290	134527	138254	17.13506795	17.0019579	17.23603288	16.74530667	16.85747079	16.8295741	18.24109869	17.7086259	18.58319665	17.18919718	17.16829996	17.03753623	17.0769617	17.12435291	16.81078385	18.17764041	1.018652851	0.06467017	0	0	1	1	0.942055873	0.06467017	0	0	1	1	2	black	black
met316	64983	1	16	6488	21.798	60.020061	103	"Hit 1 : (5R,6R)-6-tert-Butyldiphenylsiloxyspiro[4.5]decane-1-one"	C26H34O2Si	 MF: 897	 RMF: 985	 Prob 52.7%		 Lib: w9n11	 ID: 685563.	"Hit 2 : 2-[6-[2-(Trimethylsilyl)ethynyl]-2-pyridyl]-3-(trimethylsilyl)-6,7-dihydro-5H-cyclopenta[b]pyridine"	C21H28N2Si2	 MF: 854	 RMF: 911	 Prob 11.6%		 Lib: w9n11	 ID: 615621.	"Hit 3 : 1-Benzoyl-5-phenyl-3H-pyrrolo[2,1,5-de]quinolizin-3-one"	C24H15NO2	 MF: 854	 RMF: 854	 Prob 11.6%		 Lib: w9n11	 ID: 585759.	4678	7779	7492	30823	15168	500	23955	500	31427	500	19217	500	500	12.19167615	12.92536899	12.87113518	14.91171967	13.88874325	8.965784285	14.54803919	8.965784285	14.93971694	8.965784285	14.23009551	8.965784285	8.965784285	12.66272677	12.58874907	12.81784681	1.005876494	0.302249909	0	0	0	0	0.987898121	0.302249909	0	0	0	0	0	black	black
met317	40290	1	65	6508	21.865999	57.06982	-1604	"Hit 1 : 1,1,6,6-TETRAMETHYLCYCLODECANE"	C14H28	 MF: 667	 RMF: 692	 Prob 7.63%		 Lib: w9n11	 ID: 173098.	Hit 2 : 1-Heptadecene (CAS)	C17H34	 MF: 658	 RMF: 660	 Prob 5.54%	 CAS: 6765-39-5	 Lib: w9n11	 ID: 291418.	"Hit 3 : Decane, 4-cyclohexyl-"	C16H32	 MF: 651	 RMF: 672	 Prob 4.24%	 CAS: 13151-75-2	 Lib: mainlib	 ID: 52256.	261755	231220	302763	178193	184089	186412	545654	402336	701809	261608	277181	257695	242911	17.99785757	17.81890667	18.20782938	17.44308114	17.4900439	17.50813521	19.0576269	18.61804131	19.42071892	17.99704713	18.08046884	17.97530502	17.8900683	18.00819787	17.48042008	19.03212904	1.030192512	0.06467017	0	0	1	1	0.946199862	0.06467017	0	0	1	1	2	black	black
met318	65156	1	30	6560	22.040001	266.998199	-331	"Hit 1 : Cyclopentasiloxane, decamethyl- (CAS)"	C10H30O5Si5	 MF: 783	 RMF: 854	 Prob 57.4%	 CAS: 541-02-6	 Lib: w9n11	 ID: 625387.	"Hit 2 : Cyclopentasiloxane, decamethyl-"	C10H30O5Si5	 MF: 750	 RMF: 765	 Prob 57.4%	 CAS: 541-02-6	 Lib: mainlib	 ID: 234336.	"Hit 3 : Cyclopentasiloxane, decamethyl-"	C10H30O5Si5	 MF: 750	 RMF: 765	 Prob 57.4%	 CAS: 541-02-6	 Lib: w9n11	 ID: 625384.	31643	32689	26588	14497	16925	15912	21139	22813	23235	24983	20730	19700	20439	14.94959876	14.99651762	14.69848764	13.82346676	14.04686821	13.95782756	14.36761951	14.47756856	14.50401202	14.60865911	14.3394325	14.26590801	14.31903699	14.88153468	13.94272084	14.44973336	1.067333617	0.06467017	0	0	1	1	1.029882995	0.06467017	0	0	1	1	2	black	black
met319	64985	1	20	6596	22.161001	69.069786	-181	"Hit 1 : 1-Benzoyl-5-phenyl-3H-pyrrolo[2,1,5-de]quinolizin-3-one"	C24H15NO2	 MF: 856	 RMF: 856	 Prob 32.1%		 Lib: w9n11	 ID: 585759.	"Hit 2 : 1-Benzoyl-3-phenyl-5H-pyrrolo[2,1,5-de]quinolizin-5-one"	C24H15NO2	 MF: 856	 RMF: 856	 Prob 32.1%		 Lib: w9n11	 ID: 585760.	"Hit 3 : 5-Methyl-2-phenyl-4,6-bis(4-tolyl)pyrimidine"	C25H22N2	 MF: 814	 RMF: 814	 Prob 7.20%		 Lib: w9n11	 ID: 588213.	82843	71165	95310	64372	65506	65894	142598	108499	182984	88950	500	80586	79616	16.33809218	16.11888026	16.54033997	15.97414567	15.99933944	16.00785949	17.12159422	16.72732222	17.48135798	16.44070699	8.965784285	16.2982416	16.28077077	16.33243747	15.99378153	17.11009147	1.021174226	0.528898576	0	0	0	0	0.95454998	0.528898576	0	0	0	0	0	black	black
met320	32424	1	29	6669	22.406	128.061493	-570	"Hit 1 : 4,4-Dideuterio-6,6-dimethylcyclohexanone"	C8H12D2O	 MF: 769	 RMF: 889	 Prob 52.0%	 CAS: 79640-11-2	 Lib: w9n11	 ID: 31844.	"Hit 2 : 1H-Indene, 1-methylene- (CAS)"	C10H8	 MF: 744	 RMF: 881	 Prob 15.9%	 CAS: 2471-84-3	 Lib: w9n11	 ID: 34903.	Hit 3 : 3-(2-Methylphenoxy)-3-methoxypropyne	C11H12O2	 MF: 731	 RMF: 901	 Prob 10.3%		 Lib: w9n11	 ID: 121885.	166833	157535	159828	120413	133734	130175	208496	193510	210476	135710	141348	139365	146243	17.34804516	17.26531287	17.28616065	16.87763163	17.02900677	16.99009288	17.66966018	17.5620486	17.68329621	17.05016751	17.10889194	17.08850876	17.15800805	17.29983956	16.96557709	17.638335	1.019702393	0.17713222	0	0	0	0	0.980809105	0.17713222	0	0	0	0	0	black	black
met321	65747	1	48	6682	22.448999	119.04953	-1014	"Hit 1 : 3-Trimethylsilyl-2'-[2'-(trimethylsilyl)ethynyl]-2,3'-bipyridine"	C24H32N2Si2	 MF: 552	 RMF: 586	 Prob 64.4%		 Lib: w9n11	 ID: 682524.	Hit 2 : o-[Hydroxybis(o-tolyl)methyl]phenyl(o-tolyl)methanone	C29H26O2	 MF: 510	 RMF: 775	 Prob 14.4%		 Lib: w9n11	 ID: 685685.	Hit 3 : Methyl 3-(t-butyldimethylsiloxymethyl)-4-(2-phenylimidazol-1-yl)butanoate	C21H32N2O3Si	 MF: 498	 RMF: 841	 Prob 9.61%		 Lib: w9n11	 ID: 657878.	37522	31490	28820	21777	22760	22197	30434	28877	26639	19681	27971	28870	31548	15.19544911	14.94260614	14.81478272	14.4105176	14.47421294	14.43807708	14.89339634	14.81763325	14.70125231	14.26451591	14.77164421	14.81728349	14.94526093	14.98427932	14.44093587	14.80409397	1.037625224	0.17713222	0	0	0	0	1.012171319	0.17713222	0	0	0	0	0	black	black
met322	49150	1	29	6697	22.5	97.100731	-1302	Hit 1 : acide cyclopentylcarbonyl-2 cyclohexene-4 carboxylique yrans	C13H18O3	 MF: 614	 RMF: 945	 Prob 15.9%	 CAS: 97181-92-5	 Lib: w9n11	 ID: 243067.	"Hit 2 : 5,6-Dimethylyltetrahydropyrrolizin-3-one"	C9H15NO	 MF: 603	 RMF: 757	 Prob 10.9%		 Lib: w9n11	 ID: 73416.	"Hit 3 : (E)-Undec-4-ene-3,6-dione"	C11H18O2	 MF: 592	 RMF: 750	 Prob 7.46%		 Lib: w9n11	 ID: 136919.	73298	64555	78402	50902	56904	58519	133778	105091	157955	73524	74259	71049	70672	16.16148621	15.97824122	16.25860284	15.63543472	15.79624245	15.8366175	17.02948136	16.6812796	17.26915408	16.16592764	16.18027827	16.11652672	16.10885112	16.13277676	15.75609822	16.99330501	1.023906841	0.06467017	0	0	1	1	0.949360748	0.06467017	0	0	1	1	2	black	black
met323	64986	1	22	6706	22.530001	348.966492	-157	"Hit 1 : 1-Benzoyl-5-phenyl-3H-pyrrolo[2,1,5-de]quinolizin-3-one"	C24H15NO2	 MF: 861	 RMF: 861	 Prob 26.4%		 Lib: w9n11	 ID: 585759.	"Hit 2 : 1-Benzoyl-3-phenyl-5H-pyrrolo[2,1,5-de]quinolizin-5-one"	C24H15NO2	 MF: 861	 RMF: 861	 Prob 26.4%		 Lib: w9n11	 ID: 585760.	"Hit 3 : 2-[6-[2-(Trimethylsilyl)ethynyl]-2-pyridyl]-3-(trimethylsilyl)-6,7-dihydro-5H-cyclopenta[b]pyridine"	C21H28N2Si2	 MF: 853	 RMF: 874	 Prob 19.7%		 Lib: w9n11	 ID: 615621.	17570	20815	8704	7212	33429	9839	19072	11577	14177	5480	10882	8873	8715	14.10082657	14.34533594	13.08746284	12.81618368	15.02881258	13.26429598	14.21916852	13.49897383	13.79126466	12.41996018	13.40965611	13.11520625	13.08928495	13.84454178	13.70309741	13.836469	1.010322073	0.778432955	0	0	0	0	1.000583442	0.778432955	0	0	0	0	0	black	black
met324	30916	1	82	6768	22.738001	55.054005	-297	Hit 1 : Cyclotetradecane	C14H28	 MF: 875	 RMF: 881	 Prob 7.01%	 CAS: 295-17-0	 Lib: replib	 ID: 4693.	Hit 2 : Cyclotetradecane	C14H28	 MF: 875	 RMF: 881	 Prob 7.01%	 CAS: 295-17-0	 Lib: w9n11	 ID: 173104.	Hit 3 : 1-Dodecene	C12H24	 MF: 869	 RMF: 875	 Prob 5.51%	 CAS: 112-41-4	 Lib: w9n11	 ID: 105510.	441770	500885	288110	236884	655338	1190000	1440000	2030000	1110000	265721	306903	338637	428376	18.75293592	18.93411988	18.13626021	17.85382123	19.32187966	20.18253014	20.45763738	20.9530483	20.08212825	18.01955272	18.22742322	18.36938009	18.70851813	18.60777201	19.11941035	20.49760464	0.973239847	0.153172382	0	0	0	0	0.907802269	0.153172382	0	0	0	0	0	black	black
met325	64525	1	36	6834	22.959002	330.941162	-639	"Hit 1 : 1-[[Bis(methylthio)methylene]acetyl]-2-(4-(4-methoxyphenyl)-1,3-butadienyl)cyclopropane"	C19H22O2S2	 MF: 727	 RMF: 826	 Prob 37.6%	 CAS: 139378-14-6	 Lib: w9n11	 ID: 578499.	"Hit 2 : 6-Amino-8-(4' -bromophenyl)-7-cyano-2,3-dihydro-4H-pyrido[2,1-b]I-[1,3]thiazinium chloride"	C15H13BrClN3S	 MF: 722	 RMF: 810	 Prob 30.3%		 Lib: w9n11	 ID: 645400.	Hit 3 : 3-Cyano-2-methyl-4-(4-chlorophenyl)-6-[2-bis(methylthio)ethenyl]pyridine	C17H15ClN2S2	 MF: 685	 RMF: 778	 Prob 7.36%	 CAS: 130445-90-8	 Lib: w9n11	 ID: 577993.	38205	26478	4663	39196	42570	35601	15050	20509	28063	500	21092	17806	30786	15.22147384	14.69250653	12.18704271	15.25841881	15.37754947	15.11963015	13.87747587	14.32396953	14.77638162	8.965784285	14.36440828	14.12007584	14.90998681	14.03367436	15.25186614	14.32594234	0.920128346	0.083796655	0	0	1	1	0.979598691	0.083796655	0	0	1	1	2	black	black
met326	33530	1	54	6849	23.01	141.902542	-897	"Hit 1 : Methyl 2,2-dichlorooctanoate"	C9H16Cl2O2	 MF: 707	 RMF: 869	 Prob 46.3%		 Lib: w9n11	 ID: 253780.	Hit 2 : 6-Methyl-4-thioxouracil	C5H6N2OS	 MF: 678	 RMF: 810	 Prob 13.1%		 Lib: w9n11	 ID: 52737.	Hit 3 : Methyl (1'-amino-2'-chloroethylidene)cyanoacetate	C6H7ClN2O2	 MF: 662	 RMF: 753	 Prob 7.55%		 Lib: w9n11	 ID: 116182.	193869	207749	179675	204407	56834	104317	415339	256722	888384	18581	1478	26463	723	17.56472261	17.66448201	17.45503016	17.64108508	15.79446664	16.67061476	18.66392982	17.96984741	19.76082388	14.18154053	10.52943055	14.691689	9.497851837	17.56141159	16.70205549	18.79820037	1.051452116	0.06467017	0	0	1	1	0.934207065	0.06467017	0	0	1	1	2	black	black
met327	65753	1	66	6866	23.066999	55.054279	-133	"Hit 1 : 2,4-Bis(2-methylbenzyl)-5,6-dihydrobenzo[h]quinazoline"	C28H26N2	 MF: 836	 RMF: 849	 Prob 44.9%		 Lib: w9n11	 ID: 662257.	"Hit 2 : 1,3-Bis(4-methylbenzyl)-5,6-dihydrobenzo[f]quinazoline"	C28H26N2	 MF: 823	 RMF: 823	 Prob 29.0%		 Lib: w9n11	 ID: 662254.	"Hit 3 : 2-Chloro-4,6-bis[(3'-methoxyphenyl)sulfanyl]pyrimidine"	C18H15ClN2O2S2	 MF: 800	 RMF: 800	 Prob 10.6%		 Lib: w9n11	 ID: 660387.	98261	92469	100986	73042	85426	113561	167746	167989	208223	89551	87502	82950	93116	16.5843313	16.49668217	16.62379578	16.15643865	16.38238761	16.79310793	17.35591884	17.35800724	17.66776991	16.45042192	16.41702837	16.33995436	16.50674147	16.56826975	16.44397806	17.46056533	1.007558492	0.066607529	0	0	1	1	0.948896524	0.066607529	0	0	1	1	2	black	black
met328	38124	1	62	6867	23.07	57.069759	-698	Hit 1 : Dodecane (CAS)	C12H26	 MF: 799	 RMF: 853	 Prob 11.2%	 CAS: 112-40-3	 Lib: w9n11	 ID: 110378.	Hit 2 : Pentadecane (CAS)	C15H32	 MF: 796	 RMF: 892	 Prob 9.91%	 CAS: 629-62-9	 Lib: w9n11	 ID: 216745.	"Hit 3 : Undecane, 4,6-dimethyl- (CAS)"	C13H28	 MF: 796	 RMF: 870	 Prob 9.91%	 CAS: 17312-82-2	 Lib: w9n11	 ID: 142667.	302820	295180	266969	181454	273150	408939	726105	742566	653239	236224	243863	214039	254179	18.20810097	18.17123545	18.0263127	17.46924433	18.0593339	18.64152613	19.46981866	19.50215973	19.3172514	17.84979602	17.89571136	17.70751417	17.95548532	18.13521637	18.05670145	19.42974327	1.004348243	0.066579461	0	0	1	1	0.933373958	0.066579461	0	0	1	1	2	black	black
met329	64389	1	13	6882	23.119999	326.965973	-464	"Hit 1 : 2-Amino-3-bromo-5-methoxy-7-phenyl-1,8-naphthyridine"	C15H12BrN3O	 MF: 798	 RMF: 798	 Prob 38.9%	 CAS: 130277-12-2	 Lib: w9n11	 ID: 539317.	"Hit 2 : 7,9-Dichloro-5-methyl-2-(2-pyridyl)-1,6-diazaphenalene"	C17H11Cl2N3	 MF: 778	 RMF: 778	 Prob 17.7%		 Lib: w9n11	 ID: 534489.	"Hit 3 : (R)-2-(N,N-Dibenzylamino)-3-chloro-1,1,1-trifluoropropane"	C17H17ClF3N	 MF: 765	 RMF: 786	 Prob 11.5%		 Lib: w9n11	 ID: 534534.	12569	12701	9040	7258	9190	8322	11281	10508	9592	14546	11304	14359	9634	13.61758225	13.63265447	13.14210706	12.82535634	13.16584915	13.02271457	13.46160734	13.35920049	13.22761594	13.82833486	13.46454575	13.80966766	13.23391921	13.46411459	13.00464002	13.34947459	1.035331587	0.06467017	0	0	1	1	1.008587604	0.06467017	0	0	1	1	2	black	black
met330	65307	1	189	6925	23.264999	192.980209	-394	"Hit 1 : DIETHYL 2-(3,5-DICHLORO-2-METHOXYPHENYL)PYRROLE-3,4-DICARBOXYLATE"	C17H17Cl2NO5	 MF: 796	 RMF: 805	 Prob 31.8%	 CAS: 69640-17-1	 Lib: w9n11	 ID: 652441.	"Hit 2 : (2S,3S)-2,3-Isopropylidenedioxy-4-tosyloxybutan-1-yl tetrahydropyran ether"	C19H28O7S	 MF: 782	 RMF: 807	 Prob 19.9%		 Lib: w9n11	 ID: 675852.	"Hit 3 : 2-tert-Butyl-4,4-bis(difluoroisopropylsilyl)-3,3,5-trimethyl-1,2-diaza-3-sila-5-cyclopente"	C15H32F4N2Si3	 MF: 776	 RMF: 786	 Prob 15.7%		 Lib: w9n11	 ID: 675607.	692877	782429	686506	432887	399734	430912	448489	493660	462199	648075	513085	569451	470118	19.40223974	19.57760032	19.3889128	18.72363095	18.60868076	18.71703375	18.77471308	18.91315823	18.81815461	19.30580126	18.96883832	19.11921218	18.84266339	19.45625095	18.68311515	18.83534197	1.041381525	0.06467017	0	0	1	1	1.032965103	0.06467017	0	0	1	1	2	black	black
met331	28434	1	96	6932	23.288	67.054008	-367	Hit 1 : Decanal (CAS)	C10H20O	 MF: 822	 RMF: 825	 Prob 9.77%	 CAS: 112-31-2	 Lib: w9n11	 ID: 80369.	Hit 2 : Decanal	C10H20O	 MF: 816	 RMF: 818	 Prob 9.77%	 CAS: 112-31-2	 Lib: replib	 ID: 6242.	Hit 3 : Cyclodecanol	C10H20O	 MF: 811	 RMF: 813	 Prob 6.70%	 CAS: 1502-05-2	 Lib: replib	 ID: 4942.	341771	753803	203004	171697	384990	409543	386140	396002	512228	139837	284303	250138	240795	18.38267046	19.52382801	17.63114863	17.38950531	18.55446145	18.64365541	18.55876448	18.59514819	18.96642659	17.09338661	18.1170698	17.93236472	17.87744591	18.51254903	18.19587405	18.70677976	1.01740367	0.390251917	0	0	0	0	0.989617095	0.390251917	0	0	0	0	0	black	black
met332	49168	1	42	6952	23.355001	97.100792	-733	Hit 1 : Chanoclavine-II	C16H20N2O	 MF: 672	 RMF: 841	 Prob 72.9%	 CAS: 1466-08-6	 Lib: w9n11	 ID: 342111.	"Hit 2 : 4-Chlorofuro[2,3-b]pyridine"	C7H4ClNO	 MF: 627	 RMF: 774	 Prob 15.5%		 Lib: w9n11	 ID: 72689.	Hit 3 : Palliclavine	C16H20N2O	 MF: 605	 RMF: 733	 Prob 6.13%	 CAS: 52052-66-1	 Lib: w9n11	 ID: 342108.	93072	84953	98607	69876	73015	74652	165533	128787	200554	92578	94877	93316	87357	16.50605959	16.37437727	16.58940245	16.0925094	16.15590526	16.18789329	17.33675933	16.97462745	17.61363122	16.49838178	16.53377077	16.50983685	16.41463569	16.48994644	16.14543598	17.30833933	1.021337947	0.06467017	0	0	1	1	0.952716845	0.06467017	0	0	1	1	2	black	black
met333	64935	1	24	6979	23.445999	344.992859	255	"Hit 1 : 4,6,7-Triphenylimidazole[4,5-c]pyridine"	C24H17N3	 MF: 971	 RMF: 987	 Prob 75.1%	 CAS: 85731-48-2	 Lib: w9n11	 ID: 581439.	"Hit 2 : 1,4,4a,5-Tetrahydro-2,7-bis(p-fluorophenyl)-[1,8]naphthyridine-4a-carbonitrile"	C21H15F2N3	 MF: 932	 RMF: 948	 Prob 17.7%		 Lib: w9n11	 ID: 581086.	"Hit 3 : 10,11-Dipheny6ldibenz[b,f]oxepin"	C26H18O	 MF: 843	 RMF: 858	 Prob 1.53%	 CAS: 90964-45-7	 Lib: w9n11	 ID: 580048.	41284	34183	25906	18673	47244	16331	25664	18127	22969	22403	29506	22728	28489	15.33329514	15.0609914	14.66099865	14.18866611	15.5278435	13.99532551	14.64745843	14.14585256	14.48740043	14.45140432	14.84872073	14.47218312	14.79811736	15.0184284	14.57061171	14.4269038	1.030734241	0.06467017	0	0	1	1	1.041001493	0.06467017	0	0	1	1	2	black	black
met334	32288	1	31	7010	23.549999	71.085106	-897	Hit 1 : (E)-3-Methylpent-3-en-2-ol	C6H12O	 MF: 704	 RMF: 929	 Prob 24.3%	 CAS: 2747-52-6	 Lib: w9n11	 ID: 10954.	"Hit 2 : 2,4,6-Trimethylnonanal"	C12H24O	 MF: 682	 RMF: 860	 Prob 9.62%		 Lib: w9n11	 ID: 142375.	Hit 3 : Tetradecane (CAS)	C14H30	 MF: 682	 RMF: 796	 Prob 9.62%	 CAS: 629-59-4	 Lib: w9n11	 ID: 178304.	43481	42578	41146	32052	38944	44332	87821	75902	97882	43409	40102	40354	42167	15.4080975	15.37782056	15.32846457	14.96812676	15.24911345	15.43606083	16.42227834	16.21185028	16.57875596	15.40570657	15.29138657	15.30042406	15.36382676	15.37146088	15.21776701	16.40429486	1.010099633	0.06467017	0	0	1	1	0.937038806	0.06467017	0	0	1	1	2	black	black
met335	58763	1	107	7032	23.623999	157.93399	-175	"Hit 1 : Tetrasulfide, dimethyl"	C2H6S4	 MF: 825	 RMF: 842	 Prob 74.1%	 CAS: 5756-24-1	 Lib: w9n11	 ID: 82174.	"Hit 2 : Tetrasulfide, dimethyl"	C2H6S4	 MF: 825	 RMF: 842	 Prob 74.1%	 CAS: 5756-24-1	 Lib: mainlib	 ID: 49322.	Hit 3 : Dimethyl tetrasulphide	C2H6S4	 MF: 808	 RMF: 833	 Prob 74.1%	 CAS: 5756-24-1	 Lib: w9n11	 ID: 82175.	8230000	8160000	8230000	8330000	7550000	5800000	550000	690000	330000	500	500	2871	500	22.972461	22.96013772	22.972461	22.98988506	22.84804521	22.46762147	19.06907209	19.39623684	18.3321065	8.965784285	8.965784285	11.48733762	8.965784285	22.96835324	22.76851725	18.93247181	1.008776856	0.06467017	0	0	1	1	1.213172452	0.06467017	1	0	1	2	3	black	red
met336	65754	1	62	7046	23.671	63.945663	-201	"Hit 1 : 2-Chloro-4,6-bis[(3'-methoxyphenyl)sulfanyl]pyrimidine"	C18H15ClN2O2S2	 MF: 829	 RMF: 829	 Prob 42.7%		 Lib: w9n11	 ID: 660387.	"Hit 2 : 2,4-Bis(2-methylbenzyl)-5,6-dihydrobenzo[h]quinazoline"	C28H26N2	 MF: 812	 RMF: 812	 Prob 23.3%		 Lib: w9n11	 ID: 662257.	"Hit 3 : 1,3-Bis(4-methylbenzyl)-5,6-dihydrobenzo[f]quinazoline"	C28H26N2	 MF: 809	 RMF: 809	 Prob 20.6%		 Lib: w9n11	 ID: 662254.	168860	179160	144302	500	190405	173170	241890	219780	500	500	500	500	500	17.36546809	17.45088905	17.13873177	8.965784285	17.53871184	17.40182949	17.8839916	17.74570058	8.965784285	8.965784285	8.965784285	8.965784285	8.965784285	17.31836297	14.63544187	14.86515882	1.183316713	0.524432986	1	0	0	1	1.16503047	0.524432986	1	0	0	1	2	black	black
met337	63407	1	85	7066	23.738001	326.967712	-334	"Hit 1 : 2,3-Dihydro-5-[4E)-3-hydroxy-4-methyl-6-(2,6,6-trimethylcyclohexenyl)-4-hexen-1-ynyl]-5-methyl-1,4-dioxepin isomer"	C22H32O3	 MF: 822	 RMF: 837	 Prob 22.8%		 Lib: w9n11	 ID: 575331.	"Hit 2 : (R)-2-(N,N-Dibenzylamino)-3-chloro-1,1,1-trifluoropropane"	C17H17ClF3N	 MF: 818	 RMF: 838	 Prob 19.3%		 Lib: w9n11	 ID: 534534.	"Hit 3 : 1'-Deoxy-1'-(phenylsulfonyl)methylene]-2',3'-isopropylidene-?-D-ribofuranose"	C15H20O6S	 MF: 808	 RMF: 835	 Prob 13.6%		 Lib: w9n11	 ID: 536266.	246342	205608	122424	218842	200688	233183	168321	206209	204606	154755	193158	200479	208539	17.9103031	17.64953687	16.90152689	17.73953012	17.61459483	17.83110309	17.36085566	17.65374777	17.64248893	17.2396265	17.55942191	17.6130916	17.66995769	17.48712229	17.72840935	17.55236412	0.986389808	0.066579461	0	0	1	1	0.996283017	0.066579461	0	0	1	1	2	black	black
met338	51273	1	52	7083	23.794998	111.116287	-1051	"Hit 1 : N,N-Diisopropyl-4-(2-thienyl)-4-oxobutanamide"	C14H21NO2S	 MF: 539	 RMF: 953	 Prob 32.4%		 Lib: w9n11	 ID: 372505.	"Hit 2 : (1S,2S,5R)-2-Isopropyl-5-methyl-1-[1-propen-1-yl]cyclohexan-1-ol"	C13H24O	 MF: 497	 RMF: 782	 Prob 7.26%		 Lib: w9n11	 ID: 172844.	Hit 3 : 2-Vinyl-?-butyrolactam	C6H9NO	 MF: 496	 RMF: 737	 Prob 6.98%		 Lib: w9n11	 ID: 17072.	55310	44641	55273	42174	37271	38681	100027	66138	112551	51621	52657	49012	47751	15.75525272	15.44608172	15.7542873	15.36406624	15.18576591	15.23933747	16.61002995	16.0131918	16.78021935	15.65567047	15.68433771	15.5808474	15.54324333	15.65187391	15.26305654	16.4678137	1.025474411	0.06467017	0	0	1	1	0.950452452	0.06467017	0	0	1	1	2	black	black
met339	47310	1	35	7104	23.865	97.100822	-819	Hit 1 : 4-Phenylbut-3-ynylamine	C10H11N	 MF: 715	 RMF: 953	 Prob 29.2%		 Lib: w9n11	 ID: 59019.	Hit 2 : 2-Naphthalenol (CAS)	C10H8O	 MF: 711	 RMF: 947	 Prob 24.7%	 CAS: 135-19-3	 Lib: w9n11	 ID: 58117.	Hit 3 : 1-Naphthalenol (CAS)	C10H8O	 MF: 710	 RMF: 945	 Prob 23.7%	 CAS: 90-15-3	 Lib: w9n11	 ID: 58102.	71176	69133	73261	55953	53698	55559	135034	100891	152929	70306	69293	66190	68126	16.11910324	16.07708691	16.16075777	15.77192786	15.71258074	15.76173301	17.04296318	16.62243796	17.22250249	16.1013602	16.080422	16.01432565	16.05591788	16.11898264	15.7487472	16.96263454	1.023508882	0.06467017	0	0	1	1	0.9502641	0.06467017	0	0	1	1	2	black	black
met340	63775	1	191	7149	24.015999	326.965607	-733	"Hit 1 : 1'-Deoxy-1'-(phenylsulfonyl)methylene]-2',3'-isopropylidene-?-D-ribofuranose"	C15H20O6S	 MF: 741	 RMF: 873	 Prob 22.8%		 Lib: w9n11	 ID: 536266.	"Hit 2 : (R)-2-(N,N-Dibenzylamino)-3-chloro-1,1,1-trifluoropropane"	C17H17ClF3N	 MF: 728	 RMF: 852	 Prob 14.7%		 Lib: w9n11	 ID: 534534.	"Hit 3 : 2,3-Dihydro-5-[4E)-3-hydroxy-4-methyl-6-(2,6,6-trimethylcyclohexenyl)-4-hexen-1-ynyl]-5-methyl-1,4-dioxepin isomer"	C22H32O3	 MF: 727	 RMF: 846	 Prob 14.1%		 Lib: w9n11	 ID: 575331.	1770000	1870000	1540000	902889	789937	1040000	1100000	1140000	1080000	1680000	1150000	1520000	1020000	20.75531793	20.83460684	20.55449892	19.78418911	19.59137807	19.9881521	20.06907209	20.12060239	20.04259988	20.6800298	20.13320243	20.53563989	19.96013772	20.7148079	19.78790643	20.07742479	1.046841816	0.06467017	0	0	1	1	1.031746258	0.06467017	0	0	1	1	2	black	black
met341	65343	1	60	7158	24.046	281.05072	-122	"Hit 1 : Pentasiloxane, dodecamethyl-"	C12H36O4Si5	 MF: 841	 RMF: 866	 Prob 63.6%	 CAS: 141-63-9	 Lib: replib	 ID: 32124.	"Hit 2 : Pentasiloxane, dodecamethyl-"	C12H36O4Si5	 MF: 841	 RMF: 866	 Prob 63.6%	 CAS: 141-63-9	 Lib: w9n11	 ID: 649877.	"Hit 3 : Pentasiloxane, dodecamethyl- (CAS)"	C12H36O4Si5	 MF: 841	 RMF: 866	 Prob 63.6%	 CAS: 141-63-9	 Lib: w9n11	 ID: 649881.	74433	65997	77164	45243	42833	42299	120546	89773	154467	54860	64608	66426	56906	16.18365476	16.01011283	16.23564031	15.46540698	15.38643511	15.36833594	16.87922425	16.45399399	17.23693913	15.743467	15.9794252	16.01946042	15.79629315	16.14313597	15.40672601	16.85671912	1.047797953	0.06467017	0	0	1	1	0.957667732	0.06467017	0	0	1	1	2	black	black
met342	64265	1	41	7197	24.177	326.966827	-104	"Hit 1 : 10-(tert-Butyldiphenylsilyl)-2,4-dodecadiene-7,9-diyn-6-ol"	C26H28OSi	 MF: 908	 RMF: 987	 Prob 30.8%		 Lib: w9n11	 ID: 651950.	"Hit 2 : 10-(tert-Butyldiphenylsilyl)-2,4-decadiene-7,9-diyn-6-ol"	C26H28OSi	 MF: 908	 RMF: 987	 Prob 30.8%		 Lib: w9n11	 ID: 651953.	"Hit 3 : 3-Hydroxy-3,3-diphenyl-2-phenylhydrazonopropane-nitrile"	C21H17N3O	 MF: 872	 RMF: 932	 Prob 7.60%		 Lib: w9n11	 ID: 535492.	58308	55793	50253	44314	40768	47884	52694	59662	51645	62169	52735	62627	48310	15.83140622	15.76779651	15.6169221	15.43547494	15.31514956	15.54725605	15.68535108	15.86452472	15.65634106	15.92390775	15.68647317	15.93449715	15.56003423	15.73870828	15.43262685	15.73540562	1.019833398	0.06467017	0	0	1	1	1.000209887	0.06467017	0	0	1	1	2	black	black
met343	43168	1	41	7210	24.221001	125.05938	-104	Hit 1 : 2-(E)-(2-Oxopropylidene)-5-methyltetrahydrofuran	C8H12O2	 MF: 902	 RMF: 982	 Prob 40.8%		 Lib: w9n11	 ID: 50544.	Hit 2 : 1-Methyl-5-(1-methylethyl)-1H-pyrazol-3-ol	C7H12N2O	 MF: 900	 RMF: 980	 Prob 37.7%		 Lib: w9n11	 ID: 49902.	Hit 3 : ethyldimethylthiophene	C8H12S	 MF: 872	 RMF: 948	 Prob 10.9%		 Lib: w9n11	 ID: 50622.	76561	68246	96055	59058	60427	69979	138616	141407	179506	82551	83925	82867	71653	16.22432205	16.05845687	16.55157309	15.84984488	15.8829057	16.09463443	17.08073427	17.10949401	17.45367254	16.33299807	16.35681301	16.33851007	16.12873949	16.27811734	15.94246167	17.21463361	1.021054193	0.06467017	0	0	1	1	0.945597665	0.06467017	0	0	1	1	2	black	black
met12	49704	0.909855	154	7228	24.281	326.971832	-496	Hit 1 : 3-Cyano-2-methyl-4-(4-methoxyphenyl)-6-[2-bis(methylthio)ethenyl]pyridine	C18H18N2OS2	 MF: 760	 RMF: 812	 Prob 44.2%	 CAS: 130445-91-9	 Lib: w9n11	 ID: 569248.	"Hit 2 : 1-(2-Pyridyl)-3-(4-bromophenyl)-5-vinyl-1,2,4-triazole"	C15H11BrN4	 MF: 715	 RMF: 839	 Prob 9.41%		 Lib: w9n11	 ID: 531281.	"Hit 3 : 2,3-Dihydro-5-[4E)-3-hydroxy-4-methyl-6-(2,6,6-trimethylcyclohexenyl)-4-hexen-1-ynyl]-5-methyl-1,4-dioxepin isomer"	C22H32O3	 MF: 714	 RMF: 836	 Prob 9.05%		 Lib: w9n11	 ID: 575331.	204409	180136	101348	205754	174856	204308	134954	204593	210608	120531	187593	186704	208039	17.64109919	17.45872701	16.62895809	17.65056095	17.41580778	17.64038617	17.04210821	17.64239726	17.68420071	16.87904472	17.51724647	17.51039331	17.66649448	17.2429281	17.5689183	17.4562354	0.981445061	0.06467017	0	0	1	1	0.987780452	0.06467017	0	0	1	1	2	black	black
met344	64805	1	134	7234	24.301001	341.015808	-484	Hit 1 : 7-[(4'-Formphenyl)ethynyl]-10-methyl-10H-phenothiazine	C22H15NOS	 MF: 765	 RMF: 770	 Prob 60.8%		 Lib: w9n11	 ID: 568049.	"Hit 2 : 3-Formyl-N-methyl-9-[phenylethynyl]dibenzo[2,3-a : 5,6-a'] (1,4)-thiazine"	C22H15NOS	 MF: 732	 RMF: 736	 Prob 15.9%		 Lib: w9n11	 ID: 568046.	"Hit 3 : 9H-pyrrolo[3',4':3,4]pyrrolo[2,1-a]phthalazine-9,11(10H)-dione,10-ethyl-8-phenyl"	C21H15N3O2	 MF: 712	 RMF: 724	 Prob 7.25%	 CAS: 95647-39-5	 Lib: w9n11	 ID: 567934.	622587	403628	204791	317144	356020	428714	245203	484230	456900	212131	334617	337329	474029	19.24791593	18.62266673	17.64379279	18.27477852	18.44159876	18.709656	17.9036171	18.88533294	18.80151892	17.69459594	18.35215122	18.36379683	18.8546158	18.50479182	18.47534443	18.53015632	1.001593875	0.070715784	0	0	1	1	0.998631177	0.070715784	0	0	1	1	2	black	black
met345	65308	1	221	7257	24.379	192.979935	-284	"Hit 1 : DIETHYL 2-(3,5-DICHLORO-2-METHOXYPHENYL)PYRROLE-3,4-DICARBOXYLATE"	C17H17Cl2NO5	 MF: 821	 RMF: 830	 Prob 32.0%	 CAS: 69640-17-1	 Lib: w9n11	 ID: 652441.	"Hit 2 : (2S,3S)-2,3-Isopropylidenedioxy-4-tosyloxybutan-1-yl tetrahydropyran ether"	C19H28O7S	 MF: 812	 RMF: 836	 Prob 23.2%		 Lib: w9n11	 ID: 675852.	"Hit 3 : 5,6-O-Carbonyl-1,2-O-isopropylidene-3-t-O-tosyl-?,D-glucofuramose"	C17H20O9S	 MF: 804	 RMF: 828	 Prob 17.3%		 Lib: w9n11	 ID: 675688.	1540000	1700000	1460000	1060000	986504	1000000	1030000	1160000	1020000	1450000	1270000	1370000	1150000	20.55449892	20.69710332	20.47753694	20.01563283	19.91196538	19.93156857	19.97421291	20.14569337	19.96013772	20.46762147	20.27639707	20.38574446	20.13320243	20.57637972	19.95305559	20.02668133	1.031239533	0.06467017	0	0	1	1	1.027448302	0.06467017	0	0	1	1	2	black	black
met346	32264	1	28	7284	24.469	71.085022	-227	"Hit 1 : 1-Methyl-3-(3,4-dimethoxyphenyl)-6,7-dimethoxyisochromene"	C20H22O5	 MF: 745	 RMF: 755	 Prob 89.9%	 CAS: 93772-22-6	 Lib: w9n11	 ID: 569930.	Hit 2 : 3-(Hydroxymethyl)-1-phenyl-1-heptadecyn-3-ol	C23H36O2	 MF: 639	 RMF: 648	 Prob 6.04%		 Lib: w9n11	 ID: 575516.	"Hit 3 : 1'-Deoxy-1'-(phenylsulfonyl)methylene]-2',3'-isopropylidene-?-D-ribofuranose"	C15H20O6S	 MF: 567	 RMF: 842	 Prob 0.84%		 Lib: w9n11	 ID: 536266.	23204	22139	22052	16213	18104	14920	51184	31297	51070	22417	21495	21843	20826	14.5020859	14.43430244	14.42862189	13.98486345	14.14402087	13.86495992	15.64340528	14.93373675	15.64018844	14.4523056	14.39171349	14.41488339	14.34609815	14.45500341	13.99794808	15.40577682	1.032651595	0.06467017	0	0	1	1	0.938284617	0.06467017	0	0	1	1	2	black	black
met347	49792	1	51	7306	24.542999	326.966431	-181	"Hit 1 : (R)-2-(N,N-Dibenzylamino)-3-chloro-1,1,1-trifluoropropane"	C17H17ClF3N	 MF: 854	 RMF: 869	 Prob 26.2%		 Lib: w9n11	 ID: 534534.	Hit 2 : n-Hexadecyloxy(triethyl)silane	C22H48OSi	 MF: 843	 RMF: 858	 Prob 18.0%		 Lib: w9n11	 ID: 600476.	"Hit 3 : 1'-Deoxy-1'-(phenylsulfonyl)methylene]-2',3'-isopropylidene-?-D-ribofuranose"	C15H20O6S	 MF: 840	 RMF: 859	 Prob 15.9%		 Lib: w9n11	 ID: 536266.	186444	123065	75791	137736	126277	160816	94808	162651	153951	94091	129459	133273	159686	17.50838284	16.90906099	16.20973892	17.07154616	16.94623237	17.29505143	16.53272118	17.31142017	17.23211171	16.52176911	16.98213574	17.02402501	17.28487831	16.87572758	17.10427665	17.02541769	0.986637899	0.065556031	0	0	1	1	0.991207846	0.065556031	0	0	1	1	2	black	black
met348	35935	1	34	7355	24.707001	57.069786	-591	"Hit 1 : Decane, 1-iodo-"	C10H21I	 MF: 774	 RMF: 869	 Prob 12.5%	 CAS: 2050-77-3	 Lib: mainlib	 ID: 7674.	"Hit 2 : Decane, 1-iodo-"	C10H21I	 MF: 774	 RMF: 869	 Prob 12.5%	 CAS: 2050-77-3	 Lib: w9n11	 ID: 373965.	"Hit 3 : Decane, 1-iodo-"	C10H21I	 MF: 770	 RMF: 856	 Prob 12.5%	 CAS: 2050-77-3	 Lib: replib	 ID: 6015.	47819	43613	45271	35725	35099	51834	96356	80507	104127	42142	48946	46502	48653	15.54529634	15.41247061	15.46629955	15.12464639	15.09914231	15.66161111	16.55608688	16.29682661	16.66798468	15.36297116	15.57890334	15.50500515	15.57024115	15.47468884	15.29513327	16.50696606	1.011739392	0.06467017	0	0	1	1	0.937464146	0.06467017	0	0	1	1	2	black	black
met349	65371	1	178	7383	24.801001	326.966217	-539	"Hit 1 : 1'-Deoxy-1'-(phenylsulfonyl)methylene]-2',3'-isopropylidene-?-D-ribofuranose"	C15H20O6S	 MF: 772	 RMF: 874	 Prob 23.7%		 Lib: w9n11	 ID: 536266.	Hit 2 : n-Hexadecyloxy(triethyl)silane	C22H48OSi	 MF: 762	 RMF: 862	 Prob 16.7%		 Lib: w9n11	 ID: 600476.	"Hit 3 : 2,3-Dihydro-5-[4E)-3-hydroxy-4-methyl-6-(2,6,6-trimethylcyclohexenyl)-4-hexen-1-ynyl]-5-methyl-1,4-dioxepin isomer"	C22H32O3	 MF: 759	 RMF: 850	 Prob 14.8%		 Lib: w9n11	 ID: 575331.	4420000	4690000	3770000	2390000	2200000	2900000	3080000	3070000	2980000	3650000	3200000	3670000	3010000	22.07561494	22.16115649	21.84613309	21.18857919	21.06907209	21.46762147	21.55449892	21.54980722	21.5068809	21.79946503	21.60964047	21.80734863	21.52133206	22.02763484	21.24175758	21.53706235	1.036996809	0.06467017	0	0	1	1	1.02277806	0.06467017	0	0	1	1	2	black	black
met350	52203	1	46	7396	24.844999	175.14772	102	Hit 1 : 1-[2-(2-Methylbutyl)phenyl]ethanone	C13H18O	 MF: 967	 RMF: 973	 Prob 14.4%		 Lib: w9n11	 ID: 156444.	"Hit 2 : 2-(3',3'-Dimethyl-1'-butyn-1'-yl)-1-cyclohexenecarbaldehyde"	C13H18O	 MF: 957	 RMF: 963	 Prob 10.2%		 Lib: w9n11	 ID: 156261.	"Hit 3 : 6-Hydroxy-2,2,8-trimethyl-2H-chromene"	C12H14O2	 MF: 956	 RMF: 962	 Prob 9.80%		 Lib: w9n11	 ID: 155700.	33442	134824	28412	60620	36191	32227	44744	84013	45718	28702	94392	43196	31278	15.02937351	17.04071781	14.79421277	15.88750623	15.14334335	14.97598227	15.44940661	16.35832496	15.48047467	14.80886365	16.52637697	15.3986101	14.93286065	15.6214347	15.33561062	15.76273542	1.018637933	0.468773364	0	0	0	0	0.991035774	0.468773364	0	0	0	0	0	black	black
met351	37459	1	36	7399	24.855001	97.100586	-1187	Hit 1 : 2-t-Butylpyridazin-3(2H)-one	C8H12N2O	 MF: 618	 RMF: 746	 Prob 33.1%	 CAS: 83297-23-8	 Lib: w9n11	 ID: 70043.	Hit 2 : Tetraethylsuccinic acid dinitrile	C12H20N2	 MF: 604	 RMF: 867	 Prob 20.7%	 CAS: 28118-34-5	 Lib: w9n11	 ID: 160848.	Hit 3 : 2-Azidothiophene	C4H3N3S	 MF: 578	 RMF: 713	 Prob 6.21%		 Lib: w9n11	 ID: 29647.	39035	47937	41509	28600	31614	500	83783	51805	87090	43761	45802	41033	40168	15.25248065	15.548852	15.34113656	14.80372753	14.94827597	8.965784285	16.35436992	15.66080373	16.41021945	15.41735809	15.48312298	15.32449702	15.29375901	15.38082307	12.90592926	16.1417977	1.191764092	0.06467017	1	0	1	2	0.952856885	0.06467017	0	0	1	1	3	red	black
met352	64269	1	22	7428	24.952	326.966034	-301	"Hit 1 : 1'-Deoxy-1'-(phenylsulfonyl)methylene]-2',3'-isopropylidene-?-D-ribofuranose"	C15H20O6S	 MF: 849	 RMF: 857	 Prob 23.2%		 Lib: w9n11	 ID: 536266.	Hit 2 : n-Hexadecyloxy(triethyl)silane	C22H48OSi	 MF: 846	 RMF: 854	 Prob 20.5%		 Lib: w9n11	 ID: 600476.	"Hit 3 : 3-Hydroxy-3,3-diphenyl-2-phenylhydrazonopropane-nitrile"	C21H17N3O	 MF: 842	 RMF: 850	 Prob 17.3%		 Lib: w9n11	 ID: 535492.	200255	202957	179583	24133	32619	28841	28938	500	28078	158939	150680	142099	146279	17.61147874	17.63081457	17.45429126	14.55871965	14.99342493	14.81583357	14.8206776	8.965784285	14.77715256	17.27811365	17.20112841	17.11653688	17.15836314	17.56552819	14.78932605	12.85453815	1.187716609	0.06467017	1	0	1	2	1.366484583	0.06467017	1	0	1	2	4	red	red
met353	42781	1	32	7452	25.033001	122.082588	-1774	"Hit 1 : 4-Fluorophenethyl alcohol, acetate"	C10H11FO2	 MF: 459	 RMF: 617	 Prob 13.2%		 Lib: mainlib	 ID: 104345.	"Hit 2 : 4-Fluorophenethyl alcohol, acetate"	C10H11FO2	 MF: 459	 RMF: 617	 Prob 13.2%		 Lib: w9n11	 ID: 135663.	"Hit 3 : 2-Fluorophenethyl alcohol, acetate"	C10H11FO2	 MF: 452	 RMF: 611	 Prob 10.1%		 Lib: mainlib	 ID: 104344.	17318	18199	14809	10524	12486	12211	37336	31676	38227	10755	11894	11387	10956	14.07998471	14.15157156	13.8541866	13.36139553	13.60802375	13.57589373	15.18827975	14.95110255	15.22230436	13.3927199	13.53794636	13.47510009	13.41943355	14.02858096	13.51510434	15.12056222	1.037992797	0.06467017	0	0	1	1	0.927781702	0.06467017	0	0	1	1	2	black	black
met354	64485	1	30	7468	25.086	326.966034	-219	"Hit 1 : 7,9-Dichloro-5-methyl-2-(2-pyridyl)-1,6-diazaphenalene"	C17H11Cl2N3	 MF: 853	 RMF: 864	 Prob 49.9%		 Lib: w9n11	 ID: 534489.	"Hit 2 : 1'-Deoxy-1'-(phenylsulfonyl)methylene]-2',3'-isopropylidene-?-D-ribofuranose"	C15H20O6S	 MF: 815	 RMF: 844	 Prob 12.0%		 Lib: w9n11	 ID: 536266.	"Hit 3 : (R)-2-(N,N-Dibenzylamino)-3-chloro-1,1,1-trifluoropropane"	C17H17ClF3N	 MF: 815	 RMF: 827	 Prob 12.0%		 Lib: w9n11	 ID: 534534.	50045	40152	44744	39521	87023	39118	55790	50319	52419	38828	56810	57212	57546	15.61093832	15.29318423	15.44940661	15.27033183	16.40910913	15.25554499	15.76771893	15.61881563	15.67780221	15.24480978	15.79385728	15.80403016	15.81242803	15.45117639	15.64499532	15.68811226	0.987611442	0.065556031	0	0	1	1	0.984897108	0.065556031	0	0	1	1	2	black	black
met355	31008	1	92	7492	25.167	97.100159	-225	"Hit 1 : 3-Heptene, 2,2,4,6,6-pentamethyl-"	C12H24	 MF: 810	 RMF: 882	 Prob 72.2%	 CAS: 123-48-8	 Lib: mainlib	 ID: 26136.	"Hit 2 : 3-Heptene, 2,2,4,6,6-pentamethyl-"	C12H24	 MF: 810	 RMF: 882	 Prob 72.2%	 CAS: 123-48-8	 Lib: w9n11	 ID: 105717.	"Hit 3 : 1-Propene, 2-methyl-, trimer (CAS)"	C12H24	 MF: 739	 RMF: 769	 Prob 10.3%	 CAS: 7756-94-7	 Lib: w9n11	 ID: 105632.	1330000	1200000	1450000	1010000	879791	851982	2670000	1660000	3190000	1400000	1420000	1360000	1300000	20.34299482	20.19460298	20.46762147	19.94592386	19.74680132	19.70046343	21.34840831	20.66275181	21.60512499	20.4169954	20.4374595	20.37517522	20.31008019	20.33507309	19.79772953	21.20542837	1.027141676	0.06467017	0	0	1	1	0.958956015	0.06467017	0	0	1	1	2	black	black
met21	64808	0.972093	121	7496	25.18	327.042816	-484	"Hit 1 : Ethyl 4-(chloromethylene)-2,2-diphenyl-3-oxazoline-5-carboxylate"	C19H16ClNO3	 MF: 766	 RMF: 806	 Prob 53.8%		 Lib: w9n11	 ID: 567372.	"Hit 2 : 2,3-DICHLORO-4-(3,5-DICHLORO-2-METHOXYPHENYL)-4-OXOBUT-2-ENAMIDE"	C11H7Cl4NO3	 MF: 729	 RMF: 751	 Prob 13.1%	 CAS: 69640-35-3	 Lib: w9n11	 ID: 566643.	"Hit 3 : 1-Methyl-3-(3,4-dimethoxyphenyl)-6,7-dimethoxyisochromene"	C20H22O5	 MF: 725	 RMF: 785	 Prob 11.1%	 CAS: 93772-22-6	 Lib: w9n11	 ID: 569930.	174815	500	500	172982	186409	500	150928	139150	154856	188657	173940	500	190217	17.41546946	8.965784285	8.965784285	17.4002624	17.50811199	8.965784285	17.20350095	17.08628138	17.24056776	17.52540611	17.40823021	8.965784285	17.53728666	11.78234601	14.62471956	17.17678336	0.805645945	0.247243123	0	1	0	1	0.68594601	0.247243123	0	1	0	1	2	black	black
met356	64548	1	174	7506	25.213999	326.966125	-539	"Hit 1 : 1'-Deoxy-1'-(phenylsulfonyl)methylene]-2',3'-isopropylidene-?-D-ribofuranose"	C15H20O6S	 MF: 771	 RMF: 874	 Prob 23.3%		 Lib: w9n11	 ID: 536266.	Hit 2 : n-Hexadecyloxy(triethyl)silane	C22H48OSi	 MF: 760	 RMF: 860	 Prob 16.0%		 Lib: w9n11	 ID: 600476.	"Hit 3 : (R)-2-(N,N-Dibenzylamino)-3-chloro-1,1,1-trifluoropropane"	C17H17ClF3N	 MF: 753	 RMF: 848	 Prob 12.3%		 Lib: w9n11	 ID: 534534.	47106	50281	39063	2110000	1990000	2420000	2490000	2590000	2490000	500	41973	41734	37356	15.52362321	15.61772572	15.25351513	21.00881157	20.924337	21.20657562	21.24771431	21.30452067	21.24771431	8.965784285	15.35717396	15.34893558	15.18905236	15.46495469	21.04657473	21.26664976	0.734796749	0.06467017	0	1	1	2	0.727192805	0.06467017	0	1	1	2	4	red	red
met357	46482	1	19	7551	25.365	139.147552	-602	"Hit 1 : 2,5-Dimethyl-2H-2-ethoxy-1,3-benzoxathiole"	C11H14O2S	 MF: 755	 RMF: 896	 Prob 52.5%	 CAS: 69652-85-3	 Lib: w9n11	 ID: 208572.	Hit 2 : 2-Acetyl-4-bromomethylnaphthalene	C13H11BrO	 MF: 720	 RMF: 859	 Prob 13.2%	 CAS: 79996-82-0	 Lib: w9n11	 ID: 357190.	"Hit 3 : (6S*,7S*,9R*,10R*)-6,9-Epoxypentadecane-7,10-diol 7-acetate"	C17H32O4	 MF: 698	 RMF: 831	 Prob 5.20%		 Lib: w9n11	 ID: 465512.	26914	25383	29858	22911	21527	20800	53695	39190	63332	28690	32894	27374	27408	14.7160692	14.63157497	14.86582991	14.48375281	14.39385966	14.34429591	15.71250013	15.25819795	15.95064702	14.80826035	15.00553683	14.74051864	14.74230944	14.73782469	14.40730279	15.64044837	1.022941275	0.06467017	0	0	1	1	0.942289143	0.06467017	0	0	1	1	2	black	black
met358	30118	1	37	7565	25.412001	73.029167	-306	"Hit 1 : cis-1,2-Difluoro-1-triethylsilyl-2-trimethylsilylethylene"	C11H24F2Si2	 MF: 724	 RMF: 905	 Prob 74.9%		 Lib: w9n11	 ID: 322380.	Hit 2 : n-Decanoic acid	C10H20O2	 MF: 639	 RMF: 671	 Prob 6.74%	 CAS: 334-48-5	 Lib: replib	 ID: 9640.	Hit 3 : n-Decanoic acid	C10H20O2	 MF: 639	 RMF: 671	 Prob 6.74%	 CAS: 334-48-5	 Lib: w9n11	 ID: 113572.	71042	83573	14784	50333	77994	82462	30842	23672	30452	20697	54690	500	12222	16.11638458	16.3507493	13.85174904	15.61921697	16.25107552	16.33144183	14.9126087	14.53089398	14.89424936	14.33713405	15.73898944	8.965784285	13.57719277	15.43962764	16.06724477	14.77925068	0.960938098	0.223942128	0	0	0	0	1.044682709	0.223942128	0	0	0	0	0	black	black
met359	39328	1	68	7574	25.441999	148.111832	-117	Hit 1 : 1-Allyl-5-methoxy-2-methylpyridinium tetrafluorofluoroborate	C10H13NO	 MF: 861	 RMF: 910	 Prob 58.0%		 Lib: w9n11	 ID: 92682.	"Hit 2 : 2,6-Dimethyl-4-propylaniline"	C11H17N	 MF: 845	 RMF: 964	 Prob 33.4%	 CAS: 42014-59-5	 Lib: w9n11	 ID: 92761.	"Hit 3 : 5-Ethylthieno[2,3-b]pyridine picrate"	C15H12N4O7S	 MF: 782	 RMF: 822	 Prob 5.59%		 Lib: w9n11	 ID: 663511.	265062	366442	458093	88628	115177	89390	442249	186465	197340	378548	213448	458715	170701	18.01597033	18.48322534	18.80528099	16.43547494	16.81349312	16.44782583	18.75449936	17.50854533	17.59032389	18.53011672	17.70352512	18.80723856	17.38111198	18.43482556	16.56559796	17.95112286	1.112837918	0.06467017	1	0	1	2	1.02694554	0.06467017	0	0	1	1	3	red	black
met360	35828	1	39	7581	25.466	71.085167	-1350	"Hit 1 : Borane, diethyl(decyloxy)-"	C14H31BO	 MF: 708	 RMF: 839	 Prob 10.4%		 Lib: mainlib	 ID: 25457.	"Hit 2 : Borane, diethyl(decyloxy)-"	C14H31BO	 MF: 708	 RMF: 839	 Prob 10.4%		 Lib: w9n11	 ID: 256381.	"Hit 3 : Undecane, 4-ethyl-"	C13H28	 MF: 702	 RMF: 769	 Prob 8.17%	 CAS: 17312-59-3	 Lib: mainlib	 ID: 7937.	50706	49050	45584	31406	46506	55514	102555	107081	103302	44502	46411	39466	44907	15.62986885	15.58196552	15.47623991	14.93875259	15.50512924	15.76056403	16.64603831	16.70834299	16.65650866	15.44158255	15.50217916	15.26832268	15.45465273	15.56269142	15.40148195	16.67029665	1.01046714	0.06467017	0	0	1	1	0.933558157	0.06467017	0	0	1	1	2	black	black
met361	63779	1	153	7600	25.528999	326.965424	-733	"Hit 1 : 1'-Deoxy-1'-(phenylsulfonyl)methylene]-2',3'-isopropylidene-?-D-ribofuranose"	C15H20O6S	 MF: 747	 RMF: 872	 Prob 22.4%		 Lib: w9n11	 ID: 536266.	"Hit 2 : (R)-2-(N,N-Dibenzylamino)-3-chloro-1,1,1-trifluoropropane"	C17H17ClF3N	 MF: 735	 RMF: 852	 Prob 14.9%		 Lib: w9n11	 ID: 534534.	"Hit 3 : 2,3-Dihydro-5-[4E)-3-hydroxy-4-methyl-6-(2,6,6-trimethylcyclohexenyl)-4-hexen-1-ynyl]-5-methyl-1,4-dioxepin isomer"	C22H32O3	 MF: 731	 RMF: 834	 Prob 12.6%		 Lib: w9n11	 ID: 575331.	3770000	3970000	3310000	869781	818616	1050000	1100000	1190000	1080000	3580000	2640000	3380000	2330000	21.84613309	21.92070758	21.65839979	19.73029267	19.64282734	20.0019579	20.06907209	20.18253014	20.04259988	21.77152816	21.3321065	21.68859182	21.15189852	21.80841349	19.79169263	20.09806737	1.101897341	0.06467017	1	0	1	2	1.085100029	0.06467017	0	0	1	1	3	red	black
met362	46483	1	27	7628	25.622999	139.147552	-762	"Hit 1 : 3-isopropyl-5,5-dimethylcyclopentyl-2-enone"	C10H16O	 MF: 707	 RMF: 766	 Prob 24.1%		 Lib: w9n11	 ID: 71809.	Hit 2 : 3-(1-Methyl-1H-imidazol-2-yl)pentan-3-ol	C9H16N2O	 MF: 706	 RMF: 866	 Prob 23.1%		 Lib: w9n11	 ID: 103732.	"Hit 3 : 3-isopropyl-4,4-dimethylcyclopentyl-2-enone"	C10H16O	 MF: 705	 RMF: 763	 Prob 22.2%		 Lib: w9n11	 ID: 71810.	44317	42645	46072	34644	32497	33703	88804	61677	101162	47102	47714	42442	44825	15.4355726	15.38008898	15.49160261	15.08031789	14.98801892	15.0405894	16.43833704	15.91244497	16.62630794	15.5235007	15.54212502	15.37320502	15.45201596	15.43575473	15.03630874	16.32569665	1.026565429	0.06467017	0	0	1	1	0.945488273	0.06467017	0	0	1	1	2	black	black
met363	64302	1	21	7647	25.687	326.96582	-168	"Hit 1 : (R)-2-(N,N-Dibenzylamino)-3-chloro-1,1,1-trifluoropropane"	C17H17ClF3N	 MF: 873	 RMF: 873	 Prob 38.5%		 Lib: w9n11	 ID: 534534.	Hit 2 : n-Hexadecyloxy(triethyl)silane	C22H48OSi	 MF: 867	 RMF: 867	 Prob 30.2%		 Lib: w9n11	 ID: 600476.	"Hit 3 : 1'-Deoxy-1'-(phenylsulfonyl)methylene]-2',3'-isopropylidene-?-D-ribofuranose"	C15H20O6S	 MF: 840	 RMF: 853	 Prob 8.89%		 Lib: w9n11	 ID: 536266.	19786	31585	21640	11580	13914	15511	20193	16313	11154	10784	11060	9583	12107	14.27219236	14.94695195	14.40141288	13.49934763	13.76424961	13.92100408	14.30156764	13.9937345	13.44527356	13.39660478	13.43306377	13.22626165	13.5635538	14.54018573	13.72820044	13.91352523	1.059147249	0.06467017	0	0	1	1	1.045039664	0.06467017	0	0	1	1	2	black	black
met364	64937	1	31	7658	25.723999	344.992188	112	"Hit 1 : 4,6,7-Triphenylimidazole[4,5-c]pyridine"	C24H17N3	 MF: 881	 RMF: 881	 Prob 38.6%	 CAS: 85731-48-2	 Lib: w9n11	 ID: 581439.	"Hit 2 : 1,4,4a,5-Tetrahydro-2,7-bis(p-fluorophenyl)-[1,8]naphthyridine-4a-carbonitrile"	C21H15F2N3	 MF: 873	 RMF: 873	 Prob 28.8%		 Lib: w9n11	 ID: 581086.	"Hit 3 : 11-(3',4'-Dichlorophenyl)-2,3,4,11-tetrahydropyrido[2,3-d]pyrimido[1,2-a]pyrimidin-6(6H)-one"	C16H12Cl2N4O	 MF: 810	 RMF: 810	 Prob 4.82%		 Lib: w9n11	 ID: 577690.	34320	26385	19109	22185	28771	46117	25917	28076	19685	59829	41206	25716	31418	15.06676193	14.68743036	14.22196466	14.43729693	14.81232775	15.49301105	14.66161111	14.77704979	14.26480909	15.86855733	15.3305668	14.65037864	14.93930372	14.65871899	14.91421191	14.56782333	0.982869164	0.076443129	0	0	1	1	1.006239481	0.076443129	0	0	1	1	2	black	black
met365	32175	1	44	7690	25.830999	71.085068	-484	"Hit 1 : Ethyl 4-(chloromethylene)-2,2-diphenyl-3-oxazoline-5-carboxylate"	C19H16ClNO3	 MF: 767	 RMF: 791	 Prob 58.2%		 Lib: w9n11	 ID: 567372.	Hit 2 : 3-Cyano-2-(4'-fluorophenyl)-6-phenyl-4-(trifluoromethyl)pyridine	C19H10F4N2	 MF: 731	 RMF: 796	 Prob 14.4%		 Lib: w9n11	 ID: 569464.	"Hit 3 : Diethyl 3,4-dihydro-2-naphthyl-phosphonate"	C20H23O3P	 MF: 717	 RMF: 780	 Prob 9.01%		 Lib: w9n11	 ID: 570075.	23712	48126	16692	20150	36934	46996	46194	78210	500	500	26033	21693	19624	14.53332973	15.5545289	14.02686921	14.29849222	15.1726619	15.52025035	15.49541786	16.25506546	8.965784285	8.965784285	14.66805395	14.40494196	14.26033152	14.70490928	14.99713482	13.5720892	0.980514575	0.942860172	0	0	0	0	1.08346689	0.942860172	0	0	0	0	0	black	black
met366	64843	1	47	7690	25.830999	341.017761	-402	"Hit 1 : Ethyl 4-(chloromethylene)-2,2-diphenyl-3-oxazoline-5-carboxylate"	C19H16ClNO3	 MF: 787	 RMF: 808	 Prob 51.5%		 Lib: w9n11	 ID: 567372.	"Hit 2 : 3-(4-Chlorophenyl)-4,6-dimethoxyindole-2,7-dicarbaldehyde"	C18H14ClNO4	 MF: 764	 RMF: 764	 Prob 18.8%		 Lib: w9n11	 ID: 571799.	Hit 3 : 3-Cyano-2-(4'-fluorophenyl)-6-phenyl-4-(trifluoromethyl)pyridine	C19H10F4N2	 MF: 733	 RMF: 802	 Prob 5.13%		 Lib: w9n11	 ID: 569464.	156282	173359	92156	68015	94483	82216	86277	79300	79699	53954	104348	104226	94285	17.2537921	17.40340321	16.49179048	16.05356533	16.52776715	16.32713156	16.39668839	16.27503325	16.282274	15.7194423	16.67104342	16.66935569	16.52474065	17.04966193	16.30282135	16.31799855	1.045810511	0.06467017	0	0	1	1	1.044837814	0.06467017	0	0	1	1	2	black	black
met367	43250	1	43	7739	25.996	97.100807	-744	Hit 1 : de-ABC-chloestan-14-one	C14H26O	 MF: 734	 RMF: 813	 Prob 37.9%		 Lib: w9n11	 ID: 210863.	"Hit 2 : (3aRS,4SR,6aSR)-4-butyl-4,6a-dihydro-3H-cis-furo[3,4-c]pyrazol-6(3aH)-one"	C9H14N2O2	 MF: 713	 RMF: 825	 Prob 16.1%	 CAS: 126126-94-1	 Lib: w9n11	 ID: 135434.	Hit 3 : 3-n-Pentylcyclohexanone	C11H20O	 MF: 705	 RMF: 898	 Prob 12.0%		 Lib: w9n11	 ID: 105364.	246825	242406	253475	171889	180034	187990	600667	404445	695255	240968	246930	250208	236028	17.913129	17.88706588	17.95148394	17.3911177	17.45790986	17.5202964	19.19620588	18.625584	19.40718269	17.87848205	17.9137426	17.93276839	17.84859849	17.91722627	17.45644132	19.07632419	1.026396271	0.06467017	0	0	1	1	0.939238928	0.06467017	0	0	1	1	2	black	black
met368	16003	1	20	7762	26.073	168.185959	-897	"Hit 1 : 7-(3',4'-Didesoxy-1'-O-methyl-3'-?-D,L-threo-pentopyrannosyl)-4-chloro-6-methylpyrrolo[2,3-d]pyrimidine"	C13H16ClN3O3	 MF: 706	 RMF: 861	 Prob 46.8%	 CAS: 88095-12-9	 Lib: w9n11	 ID: 456284.	"Hit 2 : 1,1,3,3-tetraphenyl-2-propanol"	C27H24O	 MF: 680	 RMF: 826	 Prob 14.0%	 CAS: 74725-11-4	 Lib: w9n11	 ID: 616544.	"Hit 3 : 1,2-dideuterio-1,1,2,2-tetraphenylethane"	C26H20D2	 MF: 669	 RMF: 793	 Prob 9.61%	 CAS: 74563-02-3	 Lib: w9n11	 ID: 553236.	10905	9085	11029	8434	7285	7910	21835	12995	24239	11404	11305	10359	9760	13.41270215	13.1492708	13.42901437	13.04200131	12.83071326	12.94946198	14.41435491	13.66566901	14.56504256	13.47725232	13.46467337	13.33859712	13.25266543	13.33032911	12.94072551	14.21502216	1.030106781	0.06467017	0	0	1	1	0.937763512	0.06467017	0	0	1	1	2	black	black
met369	43775	1	28	7793	26.177	109.100533	-526	"Hit 1 : (3S,4S)-Hept-1-en-6-yne-3,4-diol"	C7H11O2	 MF: 724	 RMF: 923	 Prob 49.6%		 Lib: w9n11	 ID: 32530.	Hit 2 : Dehydrobruceantinol	C30H36O13	 MF: 700	 RMF: 895	 Prob 16.6%		 Lib: w9n11	 ID: 800388.	Hit 3 : 2-Cyclohexyl-6-methyl-5-hepten-2-ol	C14H26O	 MF: 692	 RMF: 884	 Prob 12.4%	 CAS: 128243-85-6	 Lib: w9n11	 ID: 210829.	42812	35258	45723	28233	24273	25724	71229	65940	92410	52876	53722	53652	50065	15.38572761	15.10566302	15.48063245	14.78509482	14.56706481	14.65082737	16.12017712	16.00886627	16.49576136	15.69032542	15.71322539	15.71134433	15.61151476	15.32400769	14.66766233	16.20826825	1.044747782	0.06467017	0	0	1	1	0.94544386	0.06467017	0	0	1	1	2	black	black
met370	58120	1	33	7833	26.311001	83.085373	-203	"Hit 1 : (E)-4-Pentyl-1,4-decadien-3-ol"	C15H28O	 MF: 717	 RMF: 878	 Prob 83.3%	 CAS: 138924-62-6	 Lib: w9n11	 ID: 251156.	"Hit 2 : 2-Thiopheneacetic acid, cyclohexyl ester"	C12H16O2S	 MF: 596	 RMF: 747	 Prob 4.24%		 Lib: mainlib	 ID: 52922.	"Hit 3 : 2-Thiopheneacetic acid, cyclohexyl ester"	C12H16O2S	 MF: 596	 RMF: 747	 Prob 4.24%		 Lib: w9n11	 ID: 248884.	124038	120453	124022	102349	92897	87439	196431	153090	318547	127448	129454	127607	122890	16.92042264	16.8781108	16.92023653	16.64313748	16.50334439	16.41598928	17.5836631	17.22402052	18.28114672	16.95954921	16.98208002	16.96134795	16.907008	16.90625666	16.52082372	17.69627678	1.023330129	0.06467017	0	0	1	1	0.955356704	0.06467017	0	0	1	1	2	black	black
met371	37039	1	83	7851	26.371	69.068932	-816	"Hit 1 : Cyclohexane, 1,1,3,5-tetramethyl-, trans-"	C10H20	 MF: 738	 RMF: 757	 Prob 19.9%	 CAS: 50876-31-8	 Lib: replib	 ID: 8808.	"Hit 2 : Cyclohexane, 1,1,3,5-tetramethyl-, trans-"	C10H20	 MF: 738	 RMF: 757	 Prob 19.9%	 CAS: 50876-31-8	 Lib: w9n11	 ID: 51465.	"Hit 3 : Cyclohexane, 1,1,3,5-tetramethyl-, cis-"	C10H20	 MF: 730	 RMF: 758	 Prob 14.9%	 CAS: 50876-32-9	 Lib: replib	 ID: 20084.	719371	669768	777995	504843	504292	497823	1650000	1070000	1850000	735318	731711	718378	682769	19.45637648	19.35330192	19.56940136	18.94547527	18.94389981	18.92527336	20.65403459	20.02917937	20.81909384	19.48800878	19.48091442	19.45438364	19.38103803	19.45969325	18.93821615	20.50076927	1.027535703	0.06467017	0	0	1	1	0.94921771	0.06467017	0	0	1	1	2	black	black
met372	65569	1	49	7860	26.402	326.966705	-709	"Hit 1 : 1'-Deoxy-1'-(phenylsulfonyl)methylene]-2',3'-isopropylidene-?-D-ribofuranose"	C15H20O6S	 MF: 754	 RMF: 856	 Prob 20.2%		 Lib: w9n11	 ID: 536266.	"Hit 2 : (R)-2-(N,N-Dibenzylamino)-3-chloro-1,1,1-trifluoropropane"	C17H17ClF3N	 MF: 754	 RMF: 849	 Prob 20.2%		 Lib: w9n11	 ID: 534534.	"Hit 3 : 2,3-Dihydro-5-[4E)-3-hydroxy-4-methyl-6-(2,6,6-trimethylcyclohexenyl)-4-hexen-1-ynyl]-5-methyl-1,4-dioxepin isomer"	C22H32O3	 MF: 744	 RMF: 827	 Prob 14.3%		 Lib: w9n11	 ID: 575331.	1680000	1700000	1410000	102756	85137	106353	122495	126597	119991	1440000	1210000	1370000	1080000	20.6800298	20.69710332	20.42726373	16.64886311	16.37749863	16.6985012	16.90236334	16.94988369	16.87256667	20.45763738	20.20657562	20.38574446	20.04259988	20.60146562	16.57495432	16.90827123	1.242927445	0.06467017	1	0	1	2	1.21842531	0.06467017	1	0	1	2	4	red	red
met373	40226	1	107	7873	26.445	69.068871	-240	"Hit 1 : 3-Heptene, 2,2,3,5,6-pentamethyl-"	C12H24	 MF: 808	 RMF: 838	 Prob 55.3%	 CAS: 116164-06-8	 Lib: mainlib	 ID: 36228.	"Hit 2 : 3-Heptene, 2,2,3,5,6-pentamethyl-"	C12H24	 MF: 808	 RMF: 838	 Prob 55.3%	 CAS: 116164-06-8	 Lib: w9n11	 ID: 105731.	"Hit 3 : Cyclohexane, 1,2-diethyl-3-methyl-"	C11H22	 MF: 746	 RMF: 796	 Prob 9.44%	 CAS: 61141-80-8	 Lib: w9n11	 ID: 77116.	1300000	1200000	1410000	934838	914684	952060	2900000	1960000	3230000	1340000	1340000	1290000	1290000	20.31008019	20.19460298	20.42726373	19.83435685	19.80291389	19.86069297	21.46762147	20.90242222	21.62310273	20.35380157	20.35380157	20.29893963	20.29893963	20.31064897	19.83265457	21.33104881	1.024101383	0.06467017	0	0	1	1	0.952163635	0.06467017	0	0	1	1	2	black	black
met374	33349	1	56	7918	26.596001	105.034424	-733	"Hit 1 : Propanedinitrile, (benzoyloxy)phenyl-"	C16H10N2O2	 MF: 678	 RMF: 771	 Prob 32.8%	 CAS: 5467-94-7	 Lib: mainlib	 ID: 81185.	"Hit 2 : Propanedinitrile, (benzoyloxy)phenyl-"	C16H10N2O2	 MF: 678	 RMF: 771	 Prob 32.8%	 CAS: 5467-94-7	 Lib: w9n11	 ID: 358517.	"Hit 3 : N-[1-(N,N-dimethylthiocarbamoyl)-1-methyl-2-propenyl]benzamid"	C14H18N2OS	 MF: 630	 RMF: 781	 Prob 6.79%	 CAS: 107640-39-1	 Lib: w9n11	 ID: 357719.	177515	168566	123803	125482	115986	117930	166899	142470	179213	500	13108	500	16149	17.43758141	17.36295405	16.91768675	16.9371209	16.82359115	16.84757124	17.34861579	17.12029864	17.45131577	8.965784285	13.67815996	8.965784285	13.97915721	17.2394074	16.86942777	17.3067434	1.021931961	0.066607529	0	0	1	1	0.996109263	0.066607529	0	0	1	1	2	black	black
met375	14502	1	40	7958	26.730001	111.116295	-429	Hit 1 : 3-Cyano-2-methyl-4-(4-methoxyphenyl)-6-[2-bis(methylthio)ethenyl]pyridine	C18H18N2OS2	 MF: 719	 RMF: 719	 Prob 72.8%	 CAS: 130445-91-9	 Lib: w9n11	 ID: 569248.	"Hit 2 : 1,4-bis((trimethylsilyl)ethynyl)tetrafluorobenzene"	C16H18F4Si2	 MF: 651	 RMF: 818	 Prob 11.1%	 CAS: 113705-12-7	 Lib: w9n11	 ID: 568857.	"Hit 3 : 1,3-bis((trimethylsilyl)ethynyl)tetrafluorobenzene"	C16H18F4Si2	 MF: 643	 RMF: 806	 Prob 8.24%	 CAS: 113705-13-8	 Lib: w9n11	 ID: 568858.	93701	87622	102525	64708	73162	74523	188500	142561	214392	90375	95244	94432	88344	16.51577682	16.41900552	16.64561622	15.98165647	16.15880689	16.18539813	17.524205	17.12121984	17.70989155	16.46363612	16.53934059	16.52698821	16.43084454	16.52679952	16.1086205	17.45177213	1.025959953	0.06467017	0	0	1	1	0.946998356	0.06467017	0	0	1	1	2	black	black
met376	32292	1	54	7971	26.773998	57.06992	-1067	Hit 1 : Pentadecane (CAS)	C15H32	 MF: 760	 RMF: 818	 Prob 7.53%	 CAS: 629-62-9	 Lib: w9n11	 ID: 216742.	Hit 2 : Tetradecane (CAS)	C14H30	 MF: 759	 RMF: 818	 Prob 7.24%	 CAS: 629-59-4	 Lib: w9n11	 ID: 178300.	"Hit 3 : Undecane, 3-methyl-"	C12H26	 MF: 758	 RMF: 843	 Prob 6.95%	 CAS: 1002-43-3	 Lib: replib	 ID: 6153.	167838	151391	148714	110650	136471	220153	464130	379691	342048	125471	130212	122438	138654	17.35670987	17.20791992	17.18218094	16.75564393	17.05823489	17.74814698	18.82416943	18.53446628	18.38383927	16.93699443	16.99050288	16.90169186	17.08112971	17.24893691	17.18734193	18.58082499	1.003583741	0.070715784	0	0	1	1	0.928319217	0.070715784	0	0	1	1	2	black	black
met377	15895	1	39	7983	26.813999	97.100937	-762	Hit 1 : (E/Z)-1-Methoxy-2-cyclopropylcyclopropane	C7H12O	 MF: 704	 RMF: 949	 Prob 44.6%		 Lib: w9n11	 ID: 18337.	Hit 2 : 1-(2-Ethoxyethenyl)cyclopropane	C7H12O	 MF: 690	 RMF: 931	 Prob 27.9%		 Lib: w9n11	 ID: 18338.	Hit 3 : exo-2-Hydroxy-1-methylbicyclo[3.3.1]nonan-9-one	C10H16O2	 MF: 659	 RMF: 900	 Prob 7.60%	 CAS: 103748-93-2	 Lib: w9n11	 ID: 104125.	85784	86938	95246	69556	64420	70314	180276	130734	195467	86674	92129	90608	84375	16.38842097	16.40769929	16.53937089	16.08588735	15.97522104	16.10152435	17.45984782	16.99627487	17.57656554	16.40331167	16.49136773	16.46735081	16.36452798	16.44516371	16.05421091	17.34422941	1.024352041	0.06467017	0	0	1	1	0.948163411	0.06467017	0	0	1	1	2	black	black
met378	63780	1	139	7992	26.844999	341.017273	-181	"Hit 1 : Ethyl 4-(chloromethylene)-2,2-diphenyl-3-oxazoline-5-carboxylate"	C19H16ClNO3	 MF: 860	 RMF: 870	 Prob 58.9%		 Lib: w9n11	 ID: 567372.	"Hit 2 : 3-Formyl-N-methyl-9-[phenylethynyl]dibenzo[2,3-a : 5,6-a'] (1,4)-thiazine"	C22H15NOS	 MF: 811	 RMF: 819	 Prob 12.1%		 Lib: w9n11	 ID: 568046.	Hit 3 : 3-Cyano-2-(4'-fluorophenyl)-6-phenyl-4-(trifluoromethyl)pyridine	C19H10F4N2	 MF: 795	 RMF: 812	 Prob 6.97%		 Lib: w9n11	 ID: 569464.	5720000	6190000	5760000	3300000	3800000	4040000	4750000	4750000	4760000	5470000	4400000	5310000	4190000	22.44758372	22.56150798	22.45763738	21.65403459	21.85756799	21.94592386	22.17949608	22.17949608	22.18253014	22.3831094	22.06907209	22.34028043	21.99851881	22.48890969	21.81917548	22.18050744	1.030694753	0.06467017	0	0	1	1	1.013904202	0.06467017	0	0	1	1	2	black	black
met379	33159	1	97	8045	27.021999	104.024818	-388	Hit 1 : 2-Ethynyl[(15)N]pyrodine	C7H5N	 MF: 802	 RMF: 998	 Prob 27.7%		 Lib: w9n11	 ID: 13146.	"Hit 2 : 1,2-Benzenedicarboxylic acid (CAS)"	C8H6O4	 MF: 788	 RMF: 864	 Prob 17.4%	 CAS: 88-99-3	 Lib: w9n11	 ID: 98020.	"Hit 3 : 1,3-ISOBENZOFURANDIONE"	C8H4O3	 MF: 786	 RMF: 864	 Prob 16.0%	 CAS: 85-44-9	 Lib: w9n11	 ID: 62781.	583554	539974	633626	547045	727678	546026	804505	767031	681243	536226	775316	611833	826658	19.15450664	19.04253042	19.27327201	19.06129999	19.47294067	19.05861012	19.61774186	19.54892536	19.37780998	19.03248165	19.56442491	19.2227784	19.65693106	19.15676969	19.19761693	19.51482573	0.997872276	0.083796655	0	0	1	1	0.981652101	0.083796655	0	0	1	1	2	black	black
met380	65756	1	120	8045	27.021999	386.935028	200	"Hit 1 : (2S,4S,S(Fe))-4-(Methoxymethyl)-2-[?-(trimethylsilyl)ferrocenyl-1,3-dioxane"	C19H28FeO3Si	 MF: 908	 RMF: 938	 Prob 74.3%		 Lib: w9n11	 ID: 657460.	Hit 2 : 5-?-Deuteriocholestan-3-one	C27H45DO	 MF: 826	 RMF: 867	 Prob 7.57%		 Lib: w9n11	 ID: 655708.	Hit 3 : 4-(4-Chlorophenyl)-2-methyl-6-[4-phenylpiperazin-1-yl]benzonitrile	C24H22ClN3	 MF: 817	 RMF: 866	 Prob 5.49%		 Lib: w9n11	 ID: 656675.	278481	257369	265064	209530	198840	203029	199748	203753	215481	222593	203808	206525	216555	18.08721937	17.97347877	18.01598122	17.67679729	17.60124848	17.63132629	17.60782153	17.63646178	17.71720114	17.7640487	17.63685116	17.65595691	17.72437396	18.02555979	17.63645735	17.65382815	1.022062392	0.06467017	0	0	1	1	1.021056715	0.06467017	0	0	1	1	2	black	black
met381	34357	1	61	8047	27.028999	81.069519	-1502	Hit 1 : 1-Methyl-bicyclo[3.1.1]heptan-6-one	C8H12O	 MF: 546	 RMF: 861	 Prob 22.7%	 CAS: 5607-42-1	 Lib: w9n11	 ID: 29148.	Hit 2 : (S)-Hept-6-en-2-ol	C7H14O	 MF: 525	 RMF: 834	 Prob 9.66%		 Lib: w9n11	 ID: 20853.	Hit 3 : (trans)-2-Ethylcyclopentanol	C7H14O	 MF: 516	 RMF: 689	 Prob 7.01%		 Lib: w9n11	 ID: 20857.	61113	55960	57945	46430	39921	39544	100903	63355	108633	52947	51383	54620	51871	15.89919168	15.77210834	15.82239656	15.50276966	15.28486024	15.27117119	16.62260954	15.95117086	16.7291029	15.69226132	15.6490035	15.73714169	15.66264056	15.83123219	15.3529337	16.43429443	1.031153557	0.06467017	0	0	1	1	0.963304647	0.06467017	0	0	1	1	2	black	black
met382	49761	1	76	8058	27.065998	326.9664	-228	"Hit 1 : 2,3-Dihydro-5-[4E)-3-hydroxy-4-methyl-6-(2,6,6-trimethylcyclohexenyl)-4-hexen-1-ynyl]-5-methyl-1,4-dioxepin isomer"	C22H32O3	 MF: 794	 RMF: 911	 Prob 49.0%		 Lib: w9n11	 ID: 575331.	"Hit 2 : 1'-Deoxy-1'-(phenylsulfonyl)methylene]-2',3'-isopropylidene-?-D-ribofuranose"	C15H20O6S	 MF: 722	 RMF: 861	 Prob 6.82%		 Lib: w9n11	 ID: 536266.	"Hit 3 : (R)-2-(N,N-Dibenzylamino)-3-chloro-1,1,1-trifluoropropane"	C17H17ClF3N	 MF: 720	 RMF: 854	 Prob 6.29%		 Lib: w9n11	 ID: 534534.	165300	144643	99748	122786	128149	148768	112271	177144	150115	123347	140968	146783	152724	17.3347272	17.14213698	16.60600029	16.90578655	16.9674627	17.18270471	16.7766258	17.43456308	17.19570862	16.9123631	17.10500818	17.16332536	17.22056727	17.02762149	17.01865132	17.1356325	1.000527079	0.070715784	0	0	1	1	0.993696702	0.070715784	0	0	1	1	2	black	black
met383	58086	1	83	8077	27.130001	97.100395	-1103	"Hit 1 : 3-Heptene, 2,2,4,6,6-pentamethyl-"	C12H24	 MF: 660	 RMF: 822	 Prob 42.6%	 CAS: 123-48-8	 Lib: mainlib	 ID: 26136.	"Hit 2 : 3-Heptene, 2,2,4,6,6-pentamethyl-"	C12H24	 MF: 660	 RMF: 822	 Prob 42.6%	 CAS: 123-48-8	 Lib: w9n11	 ID: 105717.	"Hit 3 : 2,4,4,6,6,8,8-Heptamethyl-2-nonene"	C16H32	 MF: 638	 RMF: 759	 Prob 16.9%	 CAS: 39761-73-4	 Lib: mainlib	 ID: 69862.	547093	510025	586658	378213	369224	368633	1270000	781609	1450000	571904	557511	566181	529720	19.06142657	18.96020844	19.16216018	18.52883943	18.49413681	18.4918257	20.27639707	19.57608755	20.46762147	19.12541347	19.08864074	19.11090381	19.01487045	19.06126507	18.50493398	20.10670203	1.030063933	0.06467017	0	0	1	1	0.948005547	0.06467017	0	0	1	1	2	black	black
met384	34303	1	60	8113	27.251001	97.100296	-918	"Hit 1 : 3,5,6-Trimethyl-2-methoxy-4-pyrone"	C9H12O3	 MF: 699	 RMF: 798	 Prob 28.4%		 Lib: w9n11	 ID: 103607.	"Hit 2 : 1-Propene, 2-methyl-, tetramer (CAS)"	C16H32	 MF: 696	 RMF: 699	 Prob 25.1%	 CAS: 15220-85-6	 Lib: w9n11	 ID: 251404.	"Hit 3 : 3-Heptene, 2,2,4,6,6-pentamethyl-"	C12H24	 MF: 674	 RMF: 728	 Prob 9.90%	 CAS: 123-48-8	 Lib: mainlib	 ID: 26136.	625630	580063	656960	409853	425340	436786	1470000	956837	1680000	655033	629958	640302	605677	19.25495017	19.14585007	19.32544601	18.64474703	18.69825701	18.73656709	20.48738472	19.86791365	20.6800298	19.32120806	19.26489612	19.28839299	19.2081891	19.24208208	18.69319038	20.34510939	1.02936319	0.06467017	0	0	1	1	0.945784154	0.06467017	0	0	1	1	2	black	black
met385	64305	1	38	8127	27.298	384.954163	-229	"Hit 1 : Dimethyl (E)-2-(1-Carbomethoxy-1-carbomethoxymethyl-1,2,3,4-tetrahydro-?-carbolin-2-yl)butenedioate"	C22H24N2O8	 MF: 831	 RMF: 872	 Prob 41.3%		 Lib: w9n11	 ID: 728891.	Hit 2 : dimer(5-methyl-5-?-cholestan-7-one)	C56H94O2	 MF: 807	 RMF: 844	 Prob 13.8%	 CAS: 130285-55-1	 Lib: w9n11	 ID: 815498.	Hit 3 : 1-[(4'?)-3'-Ethylenedioxy-18'-norkaur-15'-en-17'-yl]pyrrolidine	C25H39NO2	 MF: 803	 RMF: 803	 Prob 11.7%	 CAS: 76844-06-9	 Lib: w9n11	 ID: 653316.	26960	23590	11532	19327	18451	23313	15178	27584	24456	16745	19436	23388	21326	14.71853288	14.5258878	13.49335512	14.23833009	14.17141139	14.50884705	13.88969408	14.75154406	14.57790084	14.03144276	14.24644372	14.51348088	14.38032577	14.24592527	14.30619618	14.40637966	0.995787076	0.070715784	0	0	1	1	0.988862268	0.070715784	0	0	1	1	2	black	black
met386	65586	1	75	8161	27.412001	192.980453	-334	"Hit 1 : 2-tert-Butyl-4,4-bis(difluoroisopropylsilyl)-3,3,5-trimethyl-1,2-diaza-3-sila-5-cyclopente"	C15H32F4N2Si3	 MF: 829	 RMF: 836	 Prob 36.6%		 Lib: w9n11	 ID: 675607.	"Hit 2 : (2S,3S)-2,3-Isopropylidenedioxy-4-tosyloxybutan-1-yl tetrahydropyran ether"	C19H28O7S	 MF: 817	 RMF: 831	 Prob 24.4%		 Lib: w9n11	 ID: 675852.	"Hit 3 : 5,6-O-Carbonyl-1,2-O-isopropylidene-3-t-O-tosyl-?,D-glucofuramose"	C17H20O9S	 MF: 809	 RMF: 822	 Prob 18.2%		 Lib: w9n11	 ID: 675688.	56536	49675	48852	37887	28868	38657	38759	42440	43474	52410	48775	44592	45851	15.78688219	15.60023235	15.57613001	15.20941529	14.81718354	15.23844206	15.24224373	15.37313704	15.40786522	15.67755449	15.57385425	15.44449729	15.48466558	15.65441485	15.08834696	15.341082	1.037516892	0.06467017	0	0	1	1	1.02042443	0.06467017	0	0	1	1	2	black	black
met387	51045	1	45	8173	27.452	131.084564	171	Hit 1 : (Z)-Chloro(1-methyl-1-phenylethyl)sulfine	C10H11ClOS	 MF: 878	 RMF: 972	 Prob 65.3%	 CAS: 126788-72-5	 Lib: w9n11	 ID: 219220.	"Hit 2 : Benzene, (3-chloro-1-methyl-1-propenyl)-"	C10H11Cl	 MF: 760	 RMF: 801	 Prob 3.62%		 Lib: mainlib	 ID: 115628.	"Hit 3 : Benzene, (3-chloro-1-methyl-1-propenyl)-"	C10H11Cl	 MF: 760	 RMF: 801	 Prob 3.62%		 Lib: w9n11	 ID: 99082.	45547	57482	24950	16957	25750	20818	114916	62663	47261	18370	19502	22699	31149	15.47506841	15.81082264	14.6067522	14.04959333	14.65228481	14.34554385	16.81022016	15.93532622	15.52836254	14.16506401	14.25133446	14.47034112	14.92689823	15.29754775	14.34914067	16.09130297	1.066095044	0.06467017	0	0	1	1	0.950671787	0.06467017	0	0	1	1	2	black	black
met388	32178	1	59	8189	27.506001	71.085159	-1296	"Hit 1 : 2,3-Dimethylthiirane 1,1-dioxide"	C4H8O2S	 MF: 600	 RMF: 910	 Prob 13.9%		 Lib: w9n11	 ID: 25214.	"Hit 2 : Carbonic acid, eicosyl vinyl ester"	C23H44O3	 MF: 591	 RMF: 660	 Prob 10.1%		 Lib: mainlib	 ID: 25472.	"Hit 3 : Carbonic acid, octadecyl vinyl ester"	C21H40O3	 MF: 591	 RMF: 656	 Prob 10.1%		 Lib: mainlib	 ID: 25473.	42014	67275	37245	34316	42559	55638	64095	93187	68544	35705	48698	41012	36090	15.35858253	16.03778287	15.18475914	15.06659378	15.37717663	15.76378294	15.9679242	16.50784109	16.06474276	15.1238385	15.5715749	15.32375848	15.13931152	15.52704151	15.40251778	16.18016935	1.008084635	0.078879129	0	0	1	1	0.959634054	0.078879129	0	0	1	1	2	black	black
met389	43320	1	38	8204	27.556	125.131905	-804	Hit 1 : 2-[(1-Ethynyl-1-methyl-2-propenyl)oxy]ethanol	C8H12O2	 MF: 750	 RMF: 879	 Prob 23.0%		 Lib: w9n11	 ID: 50491.	Hit 2 : 2-Hydroxy-3-methylbicyclo[2.2.1]heptane-2-methanol	C9H16O2	 MF: 734	 RMF: 858	 Prob 13.3%		 Lib: w9n11	 ID: 80048.	Hit 3 : 4-Trimethylsilyl-3-butyn-2-one	C7H12OSi	 MF: 733	 RMF: 876	 Prob 12.8%	 CAS: 5930-98-3	 Lib: w9n11	 ID: 49922.	59513	54727	71235	46998	46615	47413	126883	88317	138438	61949	70752	64703	61176	15.86091722	15.73996515	16.12029864	15.52031174	15.50850665	15.53299506	16.95313926	16.43040355	17.07888048	15.91879337	16.11048331	15.98154498	15.90067816	15.90706034	15.52060448	16.82080776	1.024899536	0.06467017	0	0	1	1	0.945677554	0.06467017	0	0	1	1	2	black	black
met390	12626	1	11	8206	27.563	74.040253	-103	"Hit 1 : Decanoic acid, methyl ester (CAS)"	C11H22O2	 MF: 825	 RMF: 880	 Prob 87.4%	 CAS: 110-42-9	 Lib: w9n11	 ID: 146326.	"Hit 2 : Decanoic acid, methyl ester (CAS)"	C11H22O2	 MF: 800	 RMF: 863	 Prob 87.4%	 CAS: 110-42-9	 Lib: w9n11	 ID: 146325.	"Hit 3 : Decanoic acid, methyl ester (CAS)"	C11H22O2	 MF: 765	 RMF: 881	 Prob 87.4%	 CAS: 110-42-9	 Lib: w9n11	 ID: 146330.	500	500	500	500	2982	2970	3837	500	4331	2917	4019	2683	500	8.965784285	8.965784285	8.965784285	8.965784285	11.54206454	11.53624722	11.90576305	8.965784285	12.08048446	11.51026967	11.97262086	11.38963134	8.965784285	8.965784285	10.68136535	10.9840106	0.839385602	0.070715784	0	1	1	2	0.816257796	0.070715784	0	1	1	2	4	red	red
met391	57815	1	42	8207	27.565998	73.046364	-259	"Hit 1 : DIETHYL 2-(3,5-DICHLORO-2-METHOXYPHENYL)PYRROLE-3,4-DICARBOXYLATE"	C17H17Cl2NO5	 MF: 819	 RMF: 819	 Prob 61.1%	 CAS: 69640-17-1	 Lib: w9n11	 ID: 652441.	Hit 2 : 1-[(p-Methylphenyl)sulfonyl]3-[1'-[(trimethylsilyl)oxy]ethenyl}-1H-indole	C20H23NO3SSi	 MF: 795	 RMF: 840	 Prob 20.5%		 Lib: w9n11	 ID: 652707.	"Hit 3 : (2S,3S)-2,3-Isopropylidenedioxy-4-tosyloxybutan-1-yl tetrahydropyran ether"	C19H28O7S	 MF: 766	 RMF: 766	 Prob 5.80%		 Lib: w9n11	 ID: 675852.	51214	54149	46177	29694	24040	31677	31632	33687	32987	42258	37928	38941	34621	15.64425062	15.72464707	15.49488683	14.85788383	14.55314928	14.95114809	14.94909716	15.03990433	15.00960996	15.36693687	15.21097568	15.24900231	15.07935978	15.62126151	14.78739373	14.99953715	1.056390449	0.06467017	0	0	1	1	1.04144957	0.06467017	0	0	1	1	2	black	black
met392	53183	1	51	8227	27.632999	83.085388	-273	"Hit 1 : (E,E)-1-butyl-2-(2'-butylethenyl)-2-methoxycarbonylethene"	C14H24O2	 MF: 723	 RMF: 920	 Prob 19.7%	 CAS: 112151-72-1	 Lib: w9n11	 ID: 250494.	"Hit 2 : (E,Z)-1-butyl-2-(2'-butylethenyl)-2-methoxycarbonylethene"	C14H24O2	 MF: 723	 RMF: 920	 Prob 19.7%	 CAS: 112151-81-2	 Lib: w9n11	 ID: 250496.	Hit 3 : 3-Methoxy-7-methyl-9-fluorenone	C15H12O2	 MF: 720	 RMF: 853	 Prob 17.4%		 Lib: w9n11	 ID: 250901.	89329	91661	94752	67765	72731	80587	207047	128843	235442	101618	500	99377	96419	16.44684099	16.4840204	16.53186878	16.04825271	16.15028279	16.29825951	17.65959877	16.97525463	17.84501218	16.63279645	8.965784285	16.60062437	16.55702985	16.48757672	16.16559834	17.49328853	1.019917505	0.06467017	0	0	1	1	0.942508705	0.06467017	0	0	1	1	2	black	black
met393	65407	1	146	8230	27.643	73.046326	-299	"Hit 1 : DIETHYL 2-(3,5-DICHLORO-2-METHOXYPHENYL)PYRROLE-3,4-DICARBOXYLATE"	C17H17Cl2NO5	 MF: 770	 RMF: 788	 Prob 56.2%	 CAS: 69640-17-1	 Lib: w9n11	 ID: 652441.	"Hit 2 : 5,6-O-Carbonyl-1,2-O-isopropylidene-3-t-O-tosyl-?,D-glucofuramose"	C17H20O9S	 MF: 709	 RMF: 769	 Prob 9.78%		 Lib: w9n11	 ID: 675688.	"Hit 3 : (2S,3S)-2,3-Isopropylidenedioxy-4-tosyloxybutan-1-yl tetrahydropyran ether"	C19H28O7S	 MF: 709	 RMF: 768	 Prob 9.78%		 Lib: w9n11	 ID: 675852.	303912	349452	275369	169112	154348	185012	194589	206435	190308	273679	206666	259075	183311	18.21329412	18.41473478	18.07100663	17.36761951	17.23582726	17.49725932	17.57007063	17.65532807	17.53797668	18.06212521	17.65694154	17.98301028	17.48393384	18.23301184	17.36690203	17.58779179	1.04987129	0.06467017	0	0	1	1	1.036685677	0.06467017	0	0	1	1	2	black	black
met394	65749	1	41	8254	27.723999	386.933319	165	"Hit 1 : (2S,4S,S(Fe))-4-(Methoxymethyl)-2-[?-(trimethylsilyl)ferrocenyl-1,3-dioxane"	C19H28FeO3Si	 MF: 941	 RMF: 941	 Prob 65.9%		 Lib: w9n11	 ID: 657460.	Hit 2 : 4-(4-Chlorophenyl)-2-methyl-6-[4-phenylpiperazin-1-yl]benzonitrile	C24H22ClN3	 MF: 900	 RMF: 919	 Prob 15.0%		 Lib: w9n11	 ID: 656675.	"Hit 3 : 2,2-Diphenyl-1-benzoyl-1-(phenylhydrazono)-ethylene"	C27H20N2O	 MF: 845	 RMF: 845	 Prob 2.91%		 Lib: w9n11	 ID: 658837.	89748	70416	40925	68813	59420	70368	46552	80133	75239	43361	65920	62198	80545	16.45359217	16.10361566	15.3206948	16.07039352	15.85866098	16.10263189	15.50655553	16.29010887	16.19919305	15.40411041	16.00842862	15.92458057	16.29750741	15.95930087	16.01056213	15.99861915	0.996798285	0.066607529	0	0	1	1	0.997542396	0.066607529	0	0	1	1	2	black	black
met395	50153	1	63	8258	27.737	57.069908	-365	"Hit 1 : 1-Ethyl-4,7-dihydro-4,7-methano-1H-indazole"	C10H12N2	 MF: 709	 RMF: 881	 Prob 58.7%		 Lib: w9n11	 ID: 87331.	Hit 2 : (1' RS)-2-(1'-Hydroxyethyl)indan-1-ol	C11H14O2	 MF: 678	 RMF: 894	 Prob 16.0%		 Lib: w9n11	 ID: 126535.	Hit 3 : (1'SR-2-(1'-Hydroxyethyl)indan-1-ol	C11H14O2	 MF: 678	 RMF: 893	 Prob 16.0%		 Lib: w9n11	 ID: 126534.	173082	170328	207278	142351	136809	140069	483939	311891	597005	179778	186676	167776	169368	17.40109617	17.37795609	17.66120747	17.1190931	17.06180362	17.09577817	18.88446568	18.2506824	19.18738349	17.45585696	17.51017693	17.35617683	17.3698018	17.48008658	17.09222496	18.77417719	1.022692284	0.06467017	0	0	1	1	0.931070715	0.06467017	0	0	1	1	2	black	black
met396	50154	1	79	8311	27.915001	97.100227	-573	"Hit 1 : 2,4,4,6,6,8,8-Heptamethyl-2-nonene"	C16H32	 MF: 631	 RMF: 708	 Prob 69.6%	 CAS: 39761-73-4	 Lib: mainlib	 ID: 69862.	"Hit 2 : 2,4,4,6,6,8,8-Heptamethyl-2-nonene"	C16H32	 MF: 631	 RMF: 708	 Prob 69.6%	 CAS: 39761-73-4	 Lib: w9n11	 ID: 251431.	"Hit 3 : 3-Heptene, 2,2,4,6,6-pentamethyl-"	C12H24	 MF: 558	 RMF: 834	 Prob 9.47%	 CAS: 123-48-8	 Lib: mainlib	 ID: 26136.	794042	761315	914626	536943	526410	578257	2060000	1300000	2180000	850546	798641	820176	794575	19.59885579	19.53813398	19.80282241	19.03440942	19.00582737	19.1413513	20.97421291	20.31008019	21.0558967	19.69802974	19.60718761	19.645574	19.59982388	19.64660406	19.06052936	20.78006327	1.030748081	0.06467017	0	0	1	1	0.945454487	0.06467017	0	0	1	1	2	black	black
met397	56690	1	62	8341	28.015999	83.084862	-1323	Hit 1 : 1-(3-Oxo-1-cyclohexenyl)-2-methylpropyl Acetate	C12H18O3	 MF: 505	 RMF: 741	 Prob 19.8%		 Lib: w9n11	 ID: 209586.	Hit 2 : 1-(2-Acetoxyethenyl)cyclopropane	C7H10O2	 MF: 473	 RMF: 787	 Prob 5.28%		 Lib: w9n11	 ID: 31114.	"Hit 3 : ?-D-GLUCOFURANOSE CYCLIC(1,2-BUTANEBORO-MATE-3,5-METHANEBORONATE)6-ACETATE"	C13H22B2O7	 MF: 473	 RMF: 491	 Prob 5.28%	 CAS: 61501-08-4	 Lib: w9n11	 ID: 495711.	476294	464091	508727	342797	343885	356795	1200000	758284	1360000	523682	495674	519249	515099	18.86149285	18.82404819	18.95653214	18.38699496	18.39156666	18.44473587	20.19460298	19.53237876	20.37517522	18.99833149	18.91903206	18.98606701	18.97449021	18.88069106	18.40776583	20.03405232	1.025691615	0.06467017	0	0	1	1	0.942429957	0.06467017	0	0	1	1	2	black	black
met398	65344	1	194	8354	28.059002	222.963058	-127	Hit 1 : 5-?-Deuteriocholestan-3-one	C27H45DO	 MF: 855	 RMF: 904	 Prob 80.3%		 Lib: w9n11	 ID: 655708.	"Hit 2 : 2,2-Dimethyl-3-oxa-5?-cholestane"	C28H50O	 MF: 776	 RMF: 798	 Prob 9.15%	 CAS: 83626-01-1	 Lib: w9n11	 ID: 680299.	"Hit 3 : 2,9-bis(2',6'-dimethylphenyl)-1,10-phenanthroline"	C28H24N2	 MF: 771	 RMF: 782	 Prob 7.38%	 CAS: 124318-71-4	 Lib: w9n11	 ID: 658939.	979653	1020000	907033	610864	525918	592792	607108	665517	646426	865519	702699	746030	684419	19.9019113	19.96013772	19.79079551	19.2204917	19.00447835	19.17716645	19.21159366	19.34411599	19.3021257	19.72320596	19.42254732	19.50887412	19.38452029	19.88428151	19.1340455	19.28594512	1.039209482	0.06467017	0	0	1	1	1.031024479	0.06467017	0	0	1	1	2	black	black
met399	51448	1	41	8361	28.083	84.092575	-1449	"Hit 1 : 13-Methoxy-3,8,11-trioxotetracyclo[5.5.2.0(1,5).0(7,12)]tetradec-13-ene"	C12H16O4	 MF: 579	 RMF: 685	 Prob 33.6%		 Lib: w9n11	 ID: 249155.	"Hit 2 : 8,9-Dimethyl-3-oxo-8,9-diazabicyclo[3.2.2]nonane"	C9H16N2O	 MF: 565	 RMF: 890	 Prob 21.1%		 Lib: w9n11	 ID: 103728.	"Hit 3 : tert-Butyl 4-Ethyl-3,5-dimethylpyrrole-2-carboxylate"	C13H21NO2	 MF: 553	 RMF: 656	 Prob 14.0%		 Lib: w9n11	 ID: 246815.	59787	51197	56630	44507	42475	43435	123178	86496	132159	61406	60947	60987	58683	15.8675442	15.64377165	15.78927891	15.44174464	15.37432633	15.40657042	16.91038508	16.4003458	17.01191515	15.90609201	15.89526759	15.89621413	15.84065501	15.76686492	15.40754713	16.77421534	1.023320895	0.06467017	0	0	1	1	0.939946495	0.06467017	0	0	1	1	2	black	black
met400	2502	1	14	8364	28.092999	85.100449	-441	"Hit 1 : Ethyl (2E,5R)-5-(tetrahydropyran-2-yloxy)hex-2-enoate"	C13H22O4	 MF: 741	 RMF: 922	 Prob 27.1%		 Lib: w9n11	 ID: 300783.	"Hit 2 : (2,2-Dichloro-3,3-dimethylcyclopropyl)methanol"	C6H10Cl2O	 MF: 741	 RMF: 895	 Prob 27.1%		 Lib: w9n11	 ID: 102453.	"Hit 3 : (R,R)-3,8-Dimethyldecane"	C12H26	 MF: 735	 RMF: 933	 Prob 21.3%		 Lib: w9n11	 ID: 110443.	1972	1075	500	22314	21513	23687	64680	41904	65289	988	500	539	500	10.94544384	10.07012094	8.965784285	14.44566153	14.3929211	14.53180787	15.98103206	15.35480034	15.99455232	9.948367232	8.965784285	9.074141463	8.965784285	9.993783022	14.45679684	15.77679491	0.691286122	0.06467017	0	1	1	2	0.633448243	0.06467017	0	1	1	2	4	red	red
met5	65614	0.85975	90	8396	28.200001	384.953339	149	"Hit 1 : Dimethyl 4-[(2',4',6'-trimethoxyphenyl)ethynyl]pyridine-2,6-dicarboxylate"	C20H19NO7	 MF: 830	 RMF: 942	 Prob 95.6%		 Lib: w9n11	 ID: 652687.	"Hit 2 : 3-Cyano-2-ethoxy-4-phenyl-6,7,8,9-dtetrahydropyrido[3',2':4,5]thieno[3,2-b]quinoline"	C23H19N3OS	 MF: 671	 RMF: 731	 Prob 2.40%		 Lib: w9n11	 ID: 653131.	Hit 3 : Methyl 3-amino-5-[(methoxycarbonyl)methylthio]-4-(phenylsulfinyl)-2-thiophenecarboxylate	C15H15NO5S3	 MF: 647	 RMF: 730	 Prob 0.80%	 CAS: 139427-37-5	 Lib: w9n11	 ID: 652348.	72973	67906	53530	50396	46936	56850	43401	56759	57605	51329	40190	59276	57525	16.15507515	16.05125143	15.70806003	15.62102161	15.51840728	15.79487273	15.40544066	15.79256155	15.81390642	15.64748653	15.29454896	15.85516048	15.81190146	15.9714622	15.6447672	15.67063621	1.020882062	0.06467017	0	0	1	1	1.019196795	0.06467017	0	0	1	1	2	black	black
met401	51449	1	54	8399	28.209999	84.092537	-343	Hit 1 : 1-Butyltellanylpropyne	C7H12Te	 MF: 768	 RMF: 970	 Prob 49.9%		 Lib: w9n11	 ID: 253449.	"Hit 2 : 3,5-Diethoxy-2-hydroxy-4-methylbenzaldehyde"	C12H16O4	 MF: 761	 RMF: 922	 Prob 38.2%		 Lib: w9n11	 ID: 249258.	Hit 3 : 3-tert-Butyl-1-phenyl-4-vinyl-2-borolene	C16H21B	 MF: 705	 RMF: 891	 Prob 7.29%	 CAS: 126754-88-9	 Lib: w9n11	 ID: 251380.	49201	43948	45604	38149	35998	38644	100614	72289	113529	50038	51381	48011	49076	15.58640002	15.42350989	15.47687275	15.21935762	15.13562913	15.23795681	16.61847154	16.14148851	16.79270134	15.61073651	15.64894735	15.55107737	15.58273004	15.49559422	15.19764786	16.5175538	1.019604768	0.06467017	0	0	1	1	0.938128878	0.06467017	0	0	1	1	2	black	black
met402	58487	1	105	8405	28.230001	73.046196	202	"Hit 1 : DIETHYL 2-(3,5-DICHLORO-2-METHOXYPHENYL)PYRROLE-3,4-DICARBOXYLATE"	C17H17Cl2NO5	 MF: 872	 RMF: 881	 Prob 89.5%	 CAS: 69640-17-1	 Lib: w9n11	 ID: 652441.	"Hit 2 : 3,3':5,3''-bis(dimethylene)-2,6-di(1',8'-naphthyrid-2'-yl)pyridine"	C25H17N5	 MF: 792	 RMF: 801	 Prob 9.84%	 CAS: 96427-33-7	 Lib: w9n11	 ID: 656743.	Hit 3 : [BIS(TMS)AMINO]BROMOISOPROPYL(TMS-IMINO)PHOSPHORAN	C12H34BrN2PSi3	 MF: 663	 RMF: 780	 Prob 0.41%	 CAS: 58971-95-2	 Lib: w9n11	 ID: 675518.	115987	126377	102749	67461	58039	69650	75365	81957	73318	103545	83251	90741	73032	16.82360359	16.9473744	16.64876483	16.04176608	15.82473504	16.08783573	16.20160706	16.32257956	16.16187981	16.65989836	16.34517998	16.46946694	16.15624112	16.80658094	15.98477895	16.22868881	1.051411533	0.06467017	0	0	1	1	1.035609293	0.06467017	0	0	1	1	2	black	black
met403	34359	1	60	8449	28.378	97.100082	-367	"Hit 1 : 4,4-Dimethyl-1-hydroxy-2-cyclopentene"	C7H12O	 MF: 829	 RMF: 906	 Prob 18.3%	 CAS: 68757-99-3	 Lib: w9n11	 ID: 18073.	"Hit 2 : 2,2,4,5-tetramethyl-4-hexen-3-one"	C10H18O	 MF: 815	 RMF: 934	 Prob 11.5%		 Lib: w9n11	 ID: 76777.	"Hit 3 : 2-Pentene, 2,4,4-trimethyl- (CAS)"	C8H16	 MF: 801	 RMF: 874	 Prob 7.18%	 CAS: 107-40-4	 Lib: w9n11	 ID: 18565.	1710000	1640000	1850000	1170000	1180000	1230000	3960000	2670000	4370000	1800000	1800000	1760000	1740000	20.70556489	20.64526438	20.81909384	20.1580771	20.17035543	20.23022688	21.917069	21.34840831	22.05920185	20.77956548	20.77956548	20.747144	20.73065588	20.72330771	20.1862198	21.77489305	1.026606661	0.06467017	0	0	1	1	0.951706521	0.06467017	0	0	1	1	2	black	black
met404	36394	1	85	8465	28.432001	121.064827	-124	"Hit 1 : 1-(2'-Hydroxy-3',4'-dimethylphenyl)ethanone"	C10H12O2	 MF: 917	 RMF: 980	 Prob 29.9%		 Lib: w9n11	 ID: 94667.	"Hit 2 : Phenol, 2-(1,1-dimethylethyl)-4-methyl- (CAS)"	C11H16O	 MF: 902	 RMF: 906	 Prob 18.1%	 CAS: 2409-55-4	 Lib: w9n11	 ID: 95259.	"Hit 3 : Phenol, 2-(1,1-dimethylethyl)-4-methyl-"	C11H16O	 MF: 902	 RMF: 904	 Prob 18.1%	 CAS: 2409-55-4	 Lib: replib	 ID: 23486.	912017	682798	986206	594484	522310	627533	3260000	3030000	3440000	514634	757555	557348	718699	19.79870119	19.38109931	19.9115295	19.18127846	18.9945468	19.2593318	21.63644053	21.53088636	21.71397713	18.97318725	19.53099111	19.08821888	19.45502815	19.69711	19.14505235	21.62710134	1.028835526	0.06467017	0	0	1	1	0.910760517	0.06467017	0	0	1	1	2	black	black
met405	58573	1	18	8470	28.448	231.97728	-1051	Hit 1 : 7?-Hydroxy-11?-methyldihydrocostunolide	C15H22O3	 MF: 527	 RMF: 580	 Prob 44.5%		 Lib: w9n11	 ID: 324380.	Hit 2 : 3-acetyl-2-oxo-4-hydroxy-5-benzylpyrrolidine	C13H13NO3	 MF: 484	 RMF: 996	 Prob 9.81%	 CAS: 16820-45-4	 Lib: w9n11	 ID: 268928.	Hit 3 : 1-(4-Chlorophenyl)-3-(2-furyl)propen-1-one	C13H9ClO2	 MF: 480	 RMF: 726	 Prob 8.28%		 Lib: w9n11	 ID: 271439.	3946	5368	4422	4641	11919	4095	6326	6246	6031	4395	5061	5457	5454	11.94617524	12.39016896	12.11048331	12.18021998	13.54097558	11.99964774	12.62707784	12.60871685	12.55818152	12.10164745	12.30520676	12.41389233	12.41309898	12.1489425	12.57361443	12.59799207	0.966225151	0.066607529	0	0	1	1	0.964355465	0.066607529	0	0	1	1	2	black	black
met406	57818	1	26	8489	28.511999	73.045738	103	Hit 1 : 1-[(p-Methylphenyl)sulfonyl]3-[1'-[(trimethylsilyl)oxy]ethenyl}-1H-indole	C20H23NO3SSi	 MF: 891	 RMF: 891	 Prob 49.4%		 Lib: w9n11	 ID: 652707.	"Hit 2 : 5,6-O-Carbonyl-1,2-O-isopropylidene-3-t-O-tosyl-?,D-glucofuramose"	C17H20O9S	 MF: 851	 RMF: 851	 Prob 11.5%		 Lib: w9n11	 ID: 675688.	Hit 3 : 1-[(4'?)-3'-Ethylenedioxy-18'-norkaur-15'-en-17'-yl]pyrrolidine	C25H39NO2	 MF: 850	 RMF: 850	 Prob 11.0%	 CAS: 76844-06-9	 Lib: w9n11	 ID: 653316.	10273	10558	13534	9426	26022	11678	19284	16277	11068	11348	9456	10286	12629	13.32656993	13.36604895	13.72430067	13.20242997	14.66744423	13.5115056	14.23511671	13.9905472	13.43410693	13.47015044	13.20701432	13.32839444	13.62445279	13.47230652	13.79379326	13.88659028	0.976693377	0.066579461	0	0	1	1	0.970166632	0.066579461	0	0	1	1	2	black	black
met7	58095	0.866427	45	8494	28.528999	69.069748	-948	"Hit 1 : (E,E)-1-butyl-2-(2'-butylethenyl)-2-methoxycarbonylethene"	C14H24O2	 MF: 647	 RMF: 846	 Prob 26.8%	 CAS: 112151-72-1	 Lib: w9n11	 ID: 250494.	"Hit 2 : (Z,Z)-1-butyl-2-(2'-butylethenyl)-2-methoxycarbonylethene"	C14H24O2	 MF: 644	 RMF: 842	 Prob 23.7%	 CAS: 112151-80-1	 Lib: w9n11	 ID: 250497.	"Hit 3 : (E,Z)-1-butyl-2-(2'-butylethenyl)-2-methoxycarbonylethene"	C14H24O2	 MF: 641	 RMF: 838	 Prob 21.0%	 CAS: 112151-81-2	 Lib: w9n11	 ID: 250496.	66978	68856	48856	55340	50778	56610	161835	102946	167953	73504	71582	73447	71823	16.03139968	16.07129475	15.57624813	15.75603502	15.63191595	15.7887693	17.30416413	16.65152825	17.35769804	16.16553514	16.12730923	16.16441594	16.13215829	15.89298085	15.72557343	17.10446347	1.010645553	0.06467017	0	0	1	1	0.929171551	0.06467017	0	0	1	1	2	black	black
met407	65646	1	30	8508	28.576	386.934784	-143	Hit 1 : 4-(4-Chlorophenyl)-2-methyl-6-[4-phenylpiperazin-1-yl]benzonitrile	C24H22ClN3	 MF: 884	 RMF: 884	 Prob 51.9%		 Lib: w9n11	 ID: 656675.	Hit 2 : 5-?-Deuteriocholestan-3-one	C27H45DO	 MF: 868	 RMF: 894	 Prob 29.9%		 Lib: w9n11	 ID: 655708.	"Hit 3 : 2,2-Dimethyl-3-oxa-5?-cholestane"	C28H50O	 MF: 834	 RMF: 834	 Prob 7.65%	 CAS: 83626-01-1	 Lib: w9n11	 ID: 680299.	22053	14719	9960	17452	13772	16528	11360	21162	20440	3236	14047	11849	19792	14.42868731	13.84539204	13.28193003	14.09110476	13.74945047	14.01262454	13.47167521	14.36918836	14.31910758	11.65999589	13.77797443	13.53247769	14.27262978	13.85200312	13.95105992	14.05332372	0.992899694	0.077131038	0	0	1	1	0.985674521	0.077131038	0	0	1	1	2	black	black
met408	45536	1	54	8511	28.586	135.080978	-1302	"Hit 1 : (1E,3Z)-1-Cyclohexyl-1,3-hexadiene"	C12H20	 MF: 628	 RMF: 863	 Prob 18.8%		 Lib: w9n11	 ID: 96020.	Hit 2 : 2-Propionyl-?(1(2))-bicyclo[3.3.0]octene	C11H16O	 MF: 616	 RMF: 934	 Prob 12.5%	 CAS: 59562-95-7	 Lib: w9n11	 ID: 95349.	"Hit 3 : Phenol, 4-(1,1-dimethylpropyl)-"	C11H16O	 MF: 606	 RMF: 754	 Prob 8.83%	 CAS: 80-46-6	 Lib: mainlib	 ID: 120200.	64090	53293	54294	41017	39969	43382	217527	191903	204264	31180	40788	31855	45740	15.96781165	15.70165843	15.72850515	15.32393436	15.28659386	15.40480895	17.73083496	17.55001774	17.64007544	14.92833331	15.31585715	14.95923222	15.48116875	15.79932508	15.33844572	17.64030938	1.030047331	0.06467017	0	0	1	1	0.895637641	0.06467017	0	1	1	2	3	black	red
met409	58205	1	73	8533	28.66	97.100121	-194	"Hit 1 : 2,4,4,6,6,8,8-Heptamethyl-2-nonene"	C16H32	 MF: 816	 RMF: 821	 Prob 59.2%	 CAS: 39761-73-4	 Lib: mainlib	 ID: 69862.	"Hit 2 : 2,4,4,6,6,8,8-Heptamethyl-2-nonene"	C16H32	 MF: 816	 RMF: 821	 Prob 59.2%	 CAS: 39761-73-4	 Lib: w9n11	 ID: 251431.	"Hit 3 : 4,4-Dimethyl-1-hydroxy-2-cyclopentene"	C7H12O	 MF: 750	 RMF: 931	 Prob 9.34%	 CAS: 68757-99-3	 Lib: w9n11	 ID: 18073.	2380000	2260000	2560000	1700000	1680000	1840000	5410000	3830000	5970000	2380000	2470000	2430000	2390000	21.18253014	21.10789134	21.28771238	20.69710332	20.6800298	20.81127434	22.36719716	21.86891296	22.5092995	21.18253014	21.23607961	21.21252488	21.18857919	21.19271129	20.72946915	22.24846988	1.022347033	0.06467017	0	0	1	1	0.952546913	0.06467017	0	0	1	1	2	black	black
met410	58488	1	100	8534	28.663	73.046585	177	"Hit 1 : DIETHYL 2-(3,5-DICHLORO-2-METHOXYPHENYL)PYRROLE-3,4-DICARBOXYLATE"	C17H17Cl2NO5	 MF: 857	 RMF: 868	 Prob 89.9%	 CAS: 69640-17-1	 Lib: w9n11	 ID: 652441.	"Hit 2 : (2S,3S)-2,3-Isopropylidenedioxy-4-tosyloxybutan-1-yl tetrahydropyran ether"	C19H28O7S	 MF: 722	 RMF: 761	 Prob 3.41%		 Lib: w9n11	 ID: 675852.	"Hit 3 : 5,6-O-Carbonyl-1,2-O-isopropylidene-3-t-O-tosyl-?,D-glucofuramose"	C17H20O9S	 MF: 712	 RMF: 751	 Prob 2.41%		 Lib: w9n11	 ID: 675688.	239571	253764	218860	137132	122055	144039	153585	158194	150670	206384	163140	189722	145859	17.87009376	17.95312789	17.73964878	17.06520574	16.89717187	17.13609996	17.2286778	17.27133536	17.20103266	17.6549716	17.31575103	17.53352746	17.15421488	17.85429014	17.03282586	17.23368194	1.048228303	0.06467017	0	0	1	1	1.036011353	0.06467017	0	0	1	1	2	black	black
met411	50641	1	49	8552	28.723	149.096085	-134	"Hit 1 : 3,4,5,6,7,8-Hexahydronaphthalen-1(2H)-one, 7-methyl-"	C11H16O	 MF: 906	 RMF: 936	 Prob 19.9%	 CAS: 59177-21-8	 Lib: w9n11	 ID: 95369.	"Hit 2 : 2,3,4,5,6-Pentamethylphenol"	C11H16O	 MF: 899	 RMF: 929	 Prob 15.2%		 Lib: w9n11	 ID: 95725.	"Hit 3 : 1,2,5,6-tetramethylbicyclo[3.3.0]octan-3-?-ol"	C12H22O	 MF: 897	 RMF: 927	 Prob 14.1%	 CAS: 81674-87-5	 Lib: w9n11	 ID: 137409.	59892	49237	62011	40974	37215	47905	167958	155345	174692	37942	52726	39549	50189	15.87007569	15.58745524	15.92023653	15.32242112	15.18359662	15.54788862	17.35774099	17.24511628	17.41445402	15.21150811	15.68622693	15.2713536	15.61508358	15.79258915	15.35130212	17.33910376	1.028745903	0.06467017	0	0	1	1	0.910807696	0.06467017	0	0	1	1	2	black	black
met412	64280	1	38	8563	28.76	326.965607	-458	"Hit 1 : (R)-2-(N,N-Dibenzylamino)-3-chloro-1,1,1-trifluoropropane"	C17H17ClF3N	 MF: 772	 RMF: 862	 Prob 20.6%		 Lib: w9n11	 ID: 534534.	"Hit 2 : 2,3-Dihydro-5-[4E)-3-hydroxy-4-methyl-6-(2,6,6-trimethylcyclohexenyl)-4-hexen-1-ynyl]-5-methyl-1,4-dioxepin isomer"	C22H32O3	 MF: 770	 RMF: 848	 Prob 19.0%		 Lib: w9n11	 ID: 575331.	Hit 3 : n-Hexadecyloxy(triethyl)silane	C22H48OSi	 MF: 768	 RMF: 855	 Prob 17.5%		 Lib: w9n11	 ID: 600476.	109847	100574	90122	59988	60672	65053	79871	80467	73651	68016	86405	84968	84831	16.74513594	16.61789787	16.45959171	15.87238631	15.88874325	15.98932797	16.28538416	16.29610963	16.16841749	16.05358654	16.39882718	16.37463199	16.37230395	16.60754184	15.91681918	16.24997043	1.043395772	0.06467017	0	0	1	1	1.022004435	0.06467017	0	0	1	1	2	black	black
met413	30084	1	42	8586	28.837999	129.089691	-1103	Hit 1 : n-Decanoic acid	C10H20O2	 MF: 654	 RMF: 716	 Prob 32.6%	 CAS: 334-48-5	 Lib: replib	 ID: 9640.	Hit 2 : n-Decanoic acid	C10H20O2	 MF: 654	 RMF: 716	 Prob 32.6%	 CAS: 334-48-5	 Lib: w9n11	 ID: 113572.	Hit 3 : Decanoic acid (CAS)	C10H20O2	 MF: 653	 RMF: 708	 Prob 32.6%	 CAS: 334-48-5	 Lib: w9n11	 ID: 113556.	61998	74075	22091	42329	79763	54550	28974	13951	25978	16892	19970	13499	12148	15.91993406	16.1766991	14.43117111	15.36935879	16.28343205	15.73529158	14.82247125	13.76808092	14.66500274	14.04405253	14.28554671	13.72056492	13.56843119	15.50926809	15.79602747	14.4185183	0.981846108	0.110686342	0	0	0	0	1.075649228	0.110686342	0	0	0	0	0	black	black
met414	58489	1	157	8609	28.915001	73.046112	-135	"Hit 1 : DIETHYL 2-(3,5-DICHLORO-2-METHOXYPHENYL)PYRROLE-3,4-DICARBOXYLATE"	C17H17Cl2NO5	 MF: 815	 RMF: 830	 Prob 82.3%	 CAS: 69640-17-1	 Lib: w9n11	 ID: 652441.	"Hit 2 : (2S,3S)-2,3-Isopropylidenedioxy-4-tosyloxybutan-1-yl tetrahydropyran ether"	C19H28O7S	 MF: 723	 RMF: 768	 Prob 6.88%		 Lib: w9n11	 ID: 675852.	"Hit 3 : 5,6-O-Carbonyl-1,2-O-isopropylidene-3-t-O-tosyl-?,D-glucofuramose"	C17H20O9S	 MF: 713	 RMF: 759	 Prob 4.86%		 Lib: w9n11	 ID: 675688.	278730	299229	239063	172459	158220	181924	188914	201155	193451	247520	206313	225840	182955	18.08850876	18.19089048	17.86703133	17.39589389	17.27157245	17.47297635	17.5273701	17.61794807	17.56160866	17.91718558	17.6544752	17.78494151	17.48112932	18.04881019	17.38014757	17.56897561	1.038472782	0.06467017	0	0	1	1	1.027311472	0.06467017	0	0	1	1	2	black	black
met415	51277	1	42	8645	29.035	57.069912	-101	"Hit 1 : 7-(3',4'-Didesoxy-1'-O-methyl-3'-?-D,L-threo-pentopyrannosyl)-4-chloro-6-methylpyrrolo[2,3-d]pyrimidine"	C13H16ClN3O3	 MF: 840	 RMF: 917	 Prob 76.0%	 CAS: 88095-12-9	 Lib: w9n11	 ID: 456284.	"Hit 2 : 7-(3',4'-Didesoxy-1'-O-methyl-3'-?-D,L-erythro-pentopyrannosyl)-4-chloro-6-methylpyrrolo[2,3-d]pyrimidine"	C13H16ClN3O3	 MF: 808	 RMF: 881	 Prob 20.3%	 CAS: 88095-22-1	 Lib: w9n11	 ID: 456286.	"Hit 3 : 7-(3',4'-Didesoxy-1'-O-methyl-3'-?-D,L-threo-pentopyrannosyl)-4-chloro-6-methylpyrrolo[2,3-d]pyrimidine"	C13H16ClN3O3	 MF: 699	 RMF: 759	 Prob 1.31%	 CAS: 88095-17-4	 Lib: w9n11	 ID: 456285.	56466	55598	75658	53370	47089	45800	121629	87212	187343	500	500	500	56704	15.78509482	15.76274537	16.20720502	15.70374139	15.52310246	15.48305998	16.89212773	16.41223904	17.51532255	8.965784285	8.965784285	8.965784285	15.79116289	15.9183484	15.56996794	16.93989644	1.022375156	0.311078669	0	0	0	0	0.939695733	0.311078669	0	0	0	0	0	black	black
met416	65593	1	41	8655	29.069	384.953888	-104	Hit 1 : 1-[(p-Methylphenyl)sulfonyl]3-[1'-[(trimethylsilyl)oxy]ethenyl}-1H-indole	C20H23NO3SSi	 MF: 904	 RMF: 940	 Prob 49.5%		 Lib: w9n11	 ID: 652707.	"Hit 2 : (2S,3S)-2,3-Isopropylidenedioxy-4-tosyloxybutan-1-yl tetrahydropyran ether"	C19H28O7S	 MF: 875	 RMF: 875	 Prob 14.0%		 Lib: w9n11	 ID: 675852.	"Hit 3 : 5,6-O-Carbonyl-1,2-O-isopropylidene-3-t-O-tosyl-?,D-glucofuramose"	C17H20O9S	 MF: 866	 RMF: 866	 Prob 10.2%		 Lib: w9n11	 ID: 675688.	36946	31817	18499	31846	29243	36005	23448	36942	35683	17860	21997	23540	29294	15.17313056	14.95751019	14.17515966	14.95882455	14.8358037	15.13590965	14.51717725	15.17297435	15.12294929	14.12444446	14.42501916	14.5228267	14.83831758	14.76860014	14.97684597	14.9377003	0.986095482	0.066579461	0	0	1	1	0.988679639	0.066579461	0	0	1	1	2	black	black
met417	64416	1	11	8669	29.115999	326.966217	-138	Hit 1 : n-Hexadecyloxy(triethyl)silane	C22H48OSi	 MF: 893	 RMF: 894	 Prob 31.7%		 Lib: w9n11	 ID: 600476.	"Hit 2 : (R)-2-(N,N-Dibenzylamino)-3-chloro-1,1,1-trifluoropropane"	C17H17ClF3N	 MF: 885	 RMF: 886	 Prob 23.7%		 Lib: w9n11	 ID: 534534.	"Hit 3 : 1'-Deoxy-1'-(phenylsulfonyl)methylene]-2',3'-isopropylidene-?-D-ribofuranose"	C15H20O6S	 MF: 871	 RMF: 873	 Prob 14.8%		 Lib: w9n11	 ID: 536266.	61499	52711	32788	40288	39773	42610	34757	44093	45509	19853	34979	36739	42151	15.90827533	15.68581644	15.00088028	15.29806257	15.27950177	15.37890443	15.08501594	15.42826202	15.47386426	14.27706941	15.09420142	15.16502474	15.36327924	15.53165735	15.31882292	15.32904741	1.013893654	0.066579461	0	0	1	1	1.013217386	0.066579461	0	0	1	1	2	black	black
met418	53193	1	33	8679	29.15	181.194382	-1709	Hit 1 : 2-Azafluorenone	C12H7NO	 MF: 477	 RMF: 661	 Prob 18.9%	 CAS: 5061-91-6	 Lib: mainlib	 ID: 168257.	Hit 2 : 2-Azafluorenone	C12H7NO	 MF: 477	 RMF: 661	 Prob 18.9%	 CAS: 5061-91-6	 Lib: w9n11	 ID: 134011.	Hit 3 : 5-(2'-Iodo-3'-oxobutyl)thiophene-2-carbaldehyde	C9H9IO2S	 MF: 468	 RMF: 698	 Prob 13.7%		 Lib: w9n11	 ID: 484845.	12487	12671	12657	9517	10563	10625	31873	21189	35450	14856	15418	15006	14043	13.60813929	13.62924277	13.62764787	13.21629116	13.36673201	13.37517522	14.9600472	14.37102788	15.11349801	13.8587581	13.91232801	13.87325184	13.77756355	13.62167664	13.31939946	14.8148577	1.022694505	0.06467017	0	0	1	1	0.919460512	0.06467017	0	0	1	1	2	black	black
met419	26934	1	21	8687	29.176001	281.04715	-257	Hit 1 : ETHYL 1-CYANO-3-SEC-BUTYOXY CARBONYL -3-(P-SEC-BUTYL-3'-(E)-PROPENOATE)PHENYL-4-(P-ETHYL-2-CYANO-(E)-PROPENOATE)	C38H42N2O8	 MF: 608	 RMF: 959	 Prob 94.3%	 CAS: 66965-62-6	 Lib: w9n11	 ID: 807181.	"Hit 2 : 2,3-DICHLORO-4-(3,5-DICHLORO-2-METHOXYPHENYL)-4-OXOBUT-2-ENAMIDE"	C11H7Cl4NO3	 MF: 469	 RMF: 469	 Prob 3.28%	 CAS: 69640-35-3	 Lib: w9n11	 ID: 566643.	"Hit 3 : 2,3-Dibromo-[1]benzopyrano[4,3-b]pyrrol-4(1H)-one"	C11H5Br2NO2	 MF: 439	 RMF: 439	 Prob 0.91%		 Lib: w9n11	 ID: 566641.	1024	878	500	500	500	946	850	500	500	500	500	2221	500	10	9.77807713	8.965784285	8.965784285	8.965784285	9.885696373	9.731319031	8.965784285	8.965784285	8.965784285	8.965784285	11.11699368	8.965784285	9.581287138	9.272421648	9.220962533	1.033310121	0.066894347	0	0	1	1	1.03907668	0.066894347	0	0	1	1	2	black	black
met420	58207	1	45	8695	29.203001	97.100807	-442	"Hit 1 : (E)-4-Pentyl-1,4-decadien-3-ol"	C15H28O	 MF: 703	 RMF: 864	 Prob 63.6%	 CAS: 138924-62-6	 Lib: w9n11	 ID: 251156.	"Hit 2 : 1-Propene, 2-methyl-, tetramer (CAS)"	C16H32	 MF: 625	 RMF: 637	 Prob 7.50%	 CAS: 15220-85-6	 Lib: w9n11	 ID: 251404.	"Hit 3 : Cyclohexanone, 3-ethyl-3,5,5-trimethyl-"	C11H20O	 MF: 621	 RMF: 740	 Prob 6.34%	 CAS: 167226-01-9	 Lib: w9n11	 ID: 105288.	156857	168677	197216	120321	120866	143725	472796	273976	448133	170384	160842	164447	155620	17.25909039	17.36390374	17.58941708	16.87652894	16.88304894	17.13295151	18.8508583	18.06368999	18.77356744	17.37843034	17.29528466	17.32726316	17.24766796	17.40413707	16.96417646	18.56270525	1.025934687	0.065556031	0	0	1	1	0.937586243	0.065556031	0	0	1	1	2	black	black
met33	57820	0.999703	68	8710	29.254	221.974319	-127	"Hit 1 : DIETHYL 2-(3,5-DICHLORO-2-METHOXYPHENYL)PYRROLE-3,4-DICARBOXYLATE"	C17H17Cl2NO5	 MF: 858	 RMF: 865	 Prob 71.0%	 CAS: 69640-17-1	 Lib: w9n11	 ID: 652441.	"Hit 2 : (2S,3S)-2,3-Isopropylidenedioxy-4-tosyloxybutan-1-yl tetrahydropyran ether"	C19H28O7S	 MF: 780	 RMF: 804	 Prob 8.37%		 Lib: w9n11	 ID: 675852.	"Hit 3 : 5,6-O-Carbonyl-1,2-O-isopropylidene-3-t-O-tosyl-?,D-glucofuramose"	C17H20O9S	 MF: 769	 RMF: 793	 Prob 5.74%		 Lib: w9n11	 ID: 675688.	59704	63353	53042	35578	31002	39950	38453	46173	40436	54972	47764	53034	39855	15.86553997	15.95112532	15.69484755	15.11869779	14.92007367	15.28590788	15.23080854	15.49476185	15.30335267	15.74640935	15.54363604	15.69462994	15.28247311	15.83717095	15.10822645	15.34297435	1.048248185	0.06467017	0	0	1	1	1.03220996	0.06467017	0	0	1	1	2	black	black
met421	65455	1	104	8729	29.316999	73.046516	-457	"Hit 1 : DIETHYL 2-(3,5-DICHLORO-2-METHOXYPHENYL)PYRROLE-3,4-DICARBOXYLATE"	C17H17Cl2NO5	 MF: 808	 RMF: 823	 Prob 49.5%	 CAS: 69640-17-1	 Lib: w9n11	 ID: 652441.	"Hit 2 : (2S,3S)-2,3-Isopropylidenedioxy-4-tosyloxybutan-1-yl tetrahydropyran ether"	C19H28O7S	 MF: 783	 RMF: 816	 Prob 15.1%		 Lib: w9n11	 ID: 675852.	"Hit 3 : 5,6-O-Carbonyl-1,2-O-isopropylidene-3-t-O-tosyl-?,D-glucofuramose"	C17H20O9S	 MF: 774	 RMF: 808	 Prob 11.0%		 Lib: w9n11	 ID: 675688.	179656	203223	145485	97696	88218	118554	129883	127292	130642	165306	124598	153113	118159	17.45487759	17.63270416	17.15051089	16.57601187	16.42878543	16.85518481	16.98685309	16.95778223	16.99525926	17.33477956	16.92692139	17.22423725	16.85037	17.41269755	16.61999404	16.97996486	1.047695776	0.06467017	0	0	1	1	1.025484899	0.06467017	0	0	1	1	2	black	black
met422	57821	1	67	8754	29.401001	73.046425	-136	"Hit 1 : DIETHYL 2-(3,5-DICHLORO-2-METHOXYPHENYL)PYRROLE-3,4-DICARBOXYLATE"	C17H17Cl2NO5	 MF: 829	 RMF: 838	 Prob 78.0%	 CAS: 69640-17-1	 Lib: w9n11	 ID: 652441.	"Hit 2 : (2S,3S)-2,3-Isopropylidenedioxy-4-tosyloxybutan-1-yl tetrahydropyran ether"	C19H28O7S	 MF: 748	 RMF: 776	 Prob 8.26%		 Lib: w9n11	 ID: 675852.	"Hit 3 : 5,6-O-Carbonyl-1,2-O-isopropylidene-3-t-O-tosyl-?,D-glucofuramose"	C17H20O9S	 MF: 738	 RMF: 767	 Prob 5.83%		 Lib: w9n11	 ID: 675688.	108711	94871	89107	65565	53496	72249	72986	80045	78842	88838	87435	86359	88816	16.7301384	16.53367953	16.44325115	16.00063826	15.7071434	16.14069	16.15533214	16.28852367	16.26667675	16.43888929	16.41592328	16.39805892	16.43853198	16.56902303	15.94949055	16.23684419	1.038843402	0.06467017	0	0	1	1	1.020458338	0.06467017	0	0	1	1	2	black	black
met423	50882	1	40	8765	29.438	165.090897	-591	Hit 1 : m-Cresol tert-butyldimethylsilyl ether	C13H22OSi	 MF: 777	 RMF: 886	 Prob 27.5%		 Lib: w9n11	 ID: 243536.	Hit 2 : 2-Ethyl-?(1(2))-bicyclo[4.3.0]nonenol-3	C11H18O	 MF: 770	 RMF: 985	 Prob 21.1%	 CAS: 59574-56-0	 Lib: w9n11	 ID: 100201.	Hit 3 : 2-Cyano-1-(pyrrolidin-2'-yl)-pyrrolidine	C9H15N3	 MF: 755	 RMF: 971	 Prob 12.8%		 Lib: w9n11	 ID: 96977.	48049	42004	50295	36159	34505	37878	109718	86016	126033	55795	55837	57801	54185	15.55221879	15.3582391	15.61812736	15.14206716	15.07451781	15.20907254	16.7434407	16.39231742	16.94344201	15.76784822	15.76893381	15.81880683	15.72560591	15.50952842	15.14188584	16.69306671	1.024279841	0.065255697	0	0	1	1	0.929100008	0.065255697	0	0	1	1	2	black	black
met424	65705	1	71	8799	29.552	73.046555	-457	"Hit 1 : (2S,3S)-2,3-Isopropylidenedioxy-4-tosyloxybutan-1-yl tetrahydropyran ether"	C19H28O7S	 MF: 801	 RMF: 837	 Prob 27.5%		 Lib: w9n11	 ID: 675852.	"Hit 2 : 5,6-O-Carbonyl-1,2-O-isopropylidene-3-t-O-tosyl-?,D-glucofuramose"	C17H20O9S	 MF: 792	 RMF: 829	 Prob 20.0%		 Lib: w9n11	 ID: 675688.	"Hit 3 : DIETHYL 2-(3,5-DICHLORO-2-METHOXYPHENYL)PYRROLE-3,4-DICARBOXYLATE"	C17H17Cl2NO5	 MF: 791	 RMF: 816	 Prob 19.2%	 CAS: 69640-17-1	 Lib: w9n11	 ID: 652441.	165180	161654	135054	95065	74436	112273	114705	121020	122307	119130	114915	117431	118551	17.33367949	17.30254968	17.04317684	16.53662666	16.18371291	16.7766515	16.80756875	16.88488596	16.90014745	16.86217724	16.8102076	16.84145378	16.85514831	17.22646867	16.49899702	16.86420072	1.044091871	0.06467017	0	0	1	1	1.021481478	0.06467017	0	0	1	1	2	black	black
met10	64171	0.889874	90	8808	29.582001	326.966431	-402	Hit 1 : n-Hexadecyloxy(triethyl)silane	C22H48OSi	 MF: 781	 RMF: 881	 Prob 24.6%		 Lib: w9n11	 ID: 600476.	"Hit 2 : 2,3-Dihydro-5-[4E)-3-hydroxy-4-methyl-6-(2,6,6-trimethylcyclohexenyl)-4-hexen-1-ynyl]-5-methyl-1,4-dioxepin isomer"	C22H32O3	 MF: 777	 RMF: 865	 Prob 20.8%		 Lib: w9n11	 ID: 575331.	"Hit 3 : 1'-Deoxy-1'-(phenylsulfonyl)methylene]-2',3'-isopropylidene-?-D-ribofuranose"	C15H20O6S	 MF: 773	 RMF: 873	 Prob 17.6%		 Lib: w9n11	 ID: 536266.	122697	99550	68137	77034	68550	77165	66463	74918	85007	44784	66322	66604	82227	16.90474045	16.6031337	16.05615081	16.23320772	16.06486905	16.23565901	16.02026379	16.19302477	16.37529403	15.45069577	16.01719989	16.0233212	16.32732457	16.52134165	16.17791192	16.1961942	1.02122831	0.06467017	0	0	1	1	1.020075547	0.06467017	0	0	1	1	2	black	black
met425	58492	1	131	8820	29.622999	73.046257	-1774	"Hit 1 : Silane, 9H-fluoren-9-ylidenebis[trimethyl-"	C19H26Si2	 MF: 464	 RMF: 695	 Prob 18.1%	 CAS: 7351-45-3	 Lib: mainlib	 ID: 43448.	"Hit 2 : Silane, 9H-fluoren-9-ylidenebis[trimethyl-"	C19H26Si2	 MF: 464	 RMF: 695	 Prob 18.1%	 CAS: 7351-45-3	 Lib: w9n11	 ID: 492512.	Hit 3 : 5-(trimethylsilyl)adamantan-2-one	C13H22OSi	 MF: 451	 RMF: 781	 Prob 11.7%	 CAS: 121498-04-2	 Lib: w9n11	 ID: 243512.	247505	259435	204360	159899	147745	172859	186979	197501	190151	220764	195904	210529	181932	17.91709814	17.9850136	17.64075332	17.28680139	17.17274978	17.39923619	17.51251672	17.59150043	17.536786	17.75214541	17.57978733	17.68365945	17.4730398	17.84762169	17.28626246	17.54693438	1.032474298	0.06467017	0	0	1	1	1.017136173	0.06467017	0	0	1	1	2	black	black
met426	40949	1	61	8821	29.626001	57.069729	-819	"Hit 1 : Disulfide, bis(1,1,3,3-tetramethylbutyl)"	C16H34S2	 MF: 718	 RMF: 769	 Prob 37.7%	 CAS: 29956-99-8	 Lib: mainlib	 ID: 23748.	"Hit 2 : Disulfide, bis(1,1,3,3-tetramethylbutyl)"	C16H34S2	 MF: 718	 RMF: 769	 Prob 37.7%	 CAS: 29956-99-8	 Lib: w9n11	 ID: 437816.	"Hit 3 : Dioctyl disulfide, unspecified isomer"	C16H34S3	 MF: 698	 RMF: 763	 Prob 17.2%		 Lib: w9n11	 ID: 522229.	369415	354287	376853	226446	248688	262921	966542	670470	1090000	324335	362156	367584	355361	18.49488292	18.434559	18.52364235	17.78880753	17.92397737	18.00426985	19.8824729	19.35481326	20.0558967	18.30712519	18.46625175	18.48771445	18.43892583	18.48436143	17.90568492	19.76439429	1.032318033	0.06467017	0	0	1	1	0.935235412	0.06467017	0	0	1	1	2	black	black
met427	65465	1	65	8852	29.730001	73.04628	-457	"Hit 1 : DIETHYL 2-(3,5-DICHLORO-2-METHOXYPHENYL)PYRROLE-3,4-DICARBOXYLATE"	C17H17Cl2NO5	 MF: 806	 RMF: 824	 Prob 42.5%	 CAS: 69640-17-1	 Lib: w9n11	 ID: 652441.	"Hit 2 : (2S,3S)-2,3-Isopropylidenedioxy-4-tosyloxybutan-1-yl tetrahydropyran ether"	C19H28O7S	 MF: 784	 RMF: 820	 Prob 16.8%		 Lib: w9n11	 ID: 675852.	"Hit 3 : 5,6-O-Carbonyl-1,2-O-isopropylidene-3-t-O-tosyl-?,D-glucofuramose"	C17H20O9S	 MF: 775	 RMF: 811	 Prob 12.2%		 Lib: w9n11	 ID: 675688.	135793	153006	118317	72136	59547	84107	93430	94162	92910	129679	93571	120436	88372	17.05104959	17.2232287	16.85229785	16.13843181	15.86174121	16.35993826	16.51159825	16.52285734	16.50354626	16.98458535	16.51377385	16.87790717	16.43130171	17.04219205	16.12003709	16.51266728	1.057205511	0.06467017	0	0	1	1	1.032067791	0.06467017	0	0	1	1	2	black	black
met428	59322	1	118	8879	29.820999	259.973999	-752	"Hit 1 : 2,4-Diphenyl-6-methylpyridine-1-oxide"	C18H15NO	 MF: 722	 RMF: 881	 Prob 24.6%		 Lib: w9n11	 ID: 355892.	"Hit 2 : 3,4-epoxy-7-methyl-1,2,3,4-tetrahydrobenz[a]anthracene"	C19H16O	 MF: 703	 RMF: 885	 Prob 11.9%		 Lib: w9n11	 ID: 353801.	"Hit 3 : 3,4-epoxy-12-methyl-1,2,3,4-tetrahydrobenz[a]anthracene"	C19H16O	 MF: 703	 RMF: 885	 Prob 11.9%		 Lib: w9n11	 ID: 353802.	235579	255859	201972	121726	110218	128074	135907	143589	137470	185550	146651	164038	137513	17.84585141	17.96498946	17.62379578	16.89327783	16.75000033	16.9666181	17.05226024	17.13158571	17.06875729	17.50144848	17.16202738	17.32367053	17.06920849	17.81154555	16.86996542	17.08420108	1.055813993	0.06467017	0	0	1	1	1.042574099	0.06467017	0	0	1	1	2	black	black
met429	31012	1	79	8910	29.924999	55.054256	-493	"Hit 1 : 5-Octadecene, (E)-"	C18H36	 MF: 831	 RMF: 837	 Prob 5.27%	 CAS: 7206-21-5	 Lib: mainlib	 ID: 19932.	"Hit 2 : 5-Octadecene, (E)-"	C18H36	 MF: 831	 RMF: 837	 Prob 5.27%	 CAS: 7206-21-5	 Lib: w9n11	 ID: 331392.	Hit 3 : Cyclotetradecane	C14H28	 MF: 829	 RMF: 838	 Prob 4.86%	 CAS: 295-17-0	 Lib: replib	 ID: 5160.	144215	150620	92453	64121	156293	245281	436261	672476	307805	74178	107103	105891	134939	17.1378617	17.20055382	16.49643251	15.9685093	17.25389364	17.90407596	18.73483198	19.35912325	18.23165714	16.17870375	16.70863937	16.69222045	17.04194785	16.94494935	17.04215963	18.77520413	0.994295894	0.113193132	0	0	0	0	0.90251745	0.113193132	0	0	0	0	0	black	black
met430	65810	1	47	8934	30.005001	73.046082	-639	"Hit 1 : DIETHYL 2-(3,5-DICHLORO-2-METHOXYPHENYL)PYRROLE-3,4-DICARBOXYLATE"	C17H17Cl2NO5	 MF: 725	 RMF: 725	 Prob 50.1%	 CAS: 69640-17-1	 Lib: w9n11	 ID: 652441.	"Hit 2 : 2-(4-chlorophenyl)-4,5-di(methoxycarbonyl)-3,6-hexanopyridine"	C21H22ClNO4	 MF: 707	 RMF: 707	 Prob 25.8%	 CAS: 104698-66-0	 Lib: w9n11	 ID: 656310.	"Hit 3 : (2S,3S)-2,3-Isopropylidenedioxy-4-tosyloxybutan-1-yl tetrahydropyran ether"	C19H28O7S	 MF: 676	 RMF: 829	 Prob 7.04%		 Lib: w9n11	 ID: 675852.	22737	29295	18785	13965	17821	18750	28147	25567	21420	17717	14746	12396	14126	14.47275429	14.83836683	14.1972935	13.76952795	14.12129067	14.19460298	14.78069354	14.64199527	14.38667086	14.11284671	13.84803604	13.59758704	13.78606538	14.50280487	14.02847387	14.60311989	1.033812018	0.070715784	0	0	1	1	0.993130576	0.070715784	0	0	1	1	2	black	black
met431	36304	1	42	8949	30.055	162.030655	-1323	"Hit 1 : 1,1'-Biphenyl, 4-methyl- (CAS)"	C13H12	 MF: 482	 RMF: 781	 Prob 28.0%	 CAS: 644-08-6	 Lib: w9n11	 ID: 105783.	"Hit 2 : 1,3-Isobenzofurandione, 4-methyl-"	C9H6O3	 MF: 480	 RMF: 785	 Prob 25.8%	 CAS: 4792-30-7	 Lib: w9n11	 ID: 90188.	"Hit 3 : 1,3-Isobenzofurandione, 4-methyl-"	C9H6O3	 MF: 477	 RMF: 746	 Prob 25.8%	 CAS: 4792-30-7	 Lib: replib	 ID: 12963.	16660	15658	17134	16204	18267	17235	20596	22295	20239	13691	22493	18505	22677	14.02410078	13.93461233	14.06457437	13.98406237	14.1569521	14.07305368	14.33007655	14.44443258	14.30485039	13.74094021	14.45718847	14.17562752	14.46894217	14.00776249	14.07135605	14.35978651	0.995480638	0.360305719	0	0	0	0	0.975485428	0.360305719	0	0	0	0	0	black	black
met432	65677	1	33	9003	30.237	386.933075	103	Hit 1 : 4-(4-Chlorophenyl)-2-methyl-6-[4-phenylpiperazin-1-yl]benzonitrile	C24H22ClN3	 MF: 893	 RMF: 893	 Prob 68.6%		 Lib: w9n11	 ID: 656675.	Hit 2 : 5-?-Deuteriocholestan-3-one	C27H45DO	 MF: 859	 RMF: 888	 Prob 17.6%		 Lib: w9n11	 ID: 655708.	"Hit 3 : 3,5,5,9,9,1',3'-Heptamethylspiro[bicyclo[5.3.0]-3-aza-1,7-dithia-4(10)-decenyl-2,4'-imidazolidine]-2',5'-dithione"	C16H25N3S4	 MF: 813	 RMF: 813	 Prob 3.71%		 Lib: w9n11	 ID: 655911.	15356	12157	8179	11544	12998	12496	7932	11865	14987	7374	9228	9088	11782	13.90651484	13.56949964	12.99770875	13.49485558	13.66600203	13.60917874	12.95346896	13.53442448	13.871424	12.8482317	13.17180229	13.14974712	13.52429684	13.49124108	13.59001212	13.45310581	0.992732086	0.068123409	0	0	1	1	1.002834681	0.068123409	0	0	1	1	2	black	black
met433	35326	1	60	9041	30.363998	57.069801	-373	Hit 1 : 3-Oxy-2-octylcyclohexanone	C14H24O2	 MF: 693	 RMF: 844	 Prob 51.8%		 Lib: w9n11	 ID: 250653.	Hit 2 : Z-8-Hexadecene	C16H32	 MF: 611	 RMF: 614	 Prob 5.28%		 Lib: mainlib	 ID: 2367.	Hit 3 : Z-8-Hexadecene	C16H32	 MF: 611	 RMF: 614	 Prob 5.28%		 Lib: w9n11	 ID: 251425.	51645	63552	72242	44258	46830	49793	142124	101210	144150	48987	60893	51950	54284	15.65634106	15.95564991	16.14055021	15.43365064	15.51514542	15.60365532	17.11679067	16.62699232	17.13721131	15.58011132	15.89398877	15.66483613	15.72823941	15.91751373	15.51748379	16.96033143	1.025779304	0.06467017	0	0	1	1	0.938514309	0.06467017	0	0	1	1	2	black	black
met434	61215	1	25	9057	30.417999	259.972626	-107	Hit 1 : 4-(1'-Benzoyloxybut-3'-enyl)paracyclophane	C27H26O2	 MF: 921	 RMF: 940	 Prob 33.3%		 Lib: w9n11	 ID: 648468.	"Hit 2 : 3,4-dimethyl-1(pentafluorphenyl)pyrrol"	C12H8F5N	 MF: 898	 RMF: 900	 Prob 12.2%	 CAS: 103693-19-2	 Lib: w9n11	 ID: 354392.	Hit 3 : 1-(p-Methoxyphenyl)-3-(1-methyleneethyl)-4-oxoazetidine-2-methyleneoxime	C14H16N2O3	 MF: 894	 RMF: 896	 Prob 10.3%		 Lib: w9n11	 ID: 352173.	27743	29997	23078	17646	15690	18025	19015	19836	19650	24031	21457	22191	20342	14.75983618	14.8725306	14.49423058	14.10705357	13.93755773	14.13771164	14.21485032	14.27583351	14.26224169	14.55260906	14.38916076	14.43768706	14.31217391	14.70886579	14.06077431	14.25097517	1.046092161	0.06467017	0	0	1	1	1.032130476	0.06467017	0	0	1	1	2	black	black
met435	57825	1	106	9084	30.507999	73.046364	-275	"Hit 1 : DIETHYL 2-(3,5-DICHLORO-2-METHOXYPHENYL)PYRROLE-3,4-DICARBOXYLATE"	C17H17Cl2NO5	 MF: 810	 RMF: 817	 Prob 54.2%	 CAS: 69640-17-1	 Lib: w9n11	 ID: 652441.	"Hit 2 : 5,6-O-Carbonyl-1,2-O-isopropylidene-3-t-O-tosyl-?,D-glucofuramose"	C17H20O9S	 MF: 751	 RMF: 787	 Prob 9.79%		 Lib: w9n11	 ID: 675688.	"Hit 3 : (2S,3S)-2,3-Isopropylidenedioxy-4-tosyloxybutan-1-yl tetrahydropyran ether"	C19H28O7S	 MF: 751	 RMF: 787	 Prob 9.79%		 Lib: w9n11	 ID: 675852.	110865	113235	95307	68245	63277	76781	79276	83983	78807	93101	82778	90635	76729	16.75844445	16.78896043	16.54029456	16.05843573	15.94939358	16.22846173	16.27459655	16.3578097	16.26603616	16.50650904	16.33695977	16.46778065	16.22748433	16.69589981	16.07876368	16.29948081	1.038382064	0.06467017	0	0	1	1	1.024320959	0.06467017	0	0	1	1	2	black	black
met436	57787	1	80	9134	30.676001	73.046173	-1709	"Hit 1 : 3-O-(trimethylsilyl)-5,7,4'-tri-O-methylkaempferol"	C21H24O6Si	 MF: 503	 RMF: 523	 Prob 20.6%		 Lib: w9n11	 ID: 676108.	Hit 2 : 1-[(p-Methylphenyl)sulfonyl]3-[1'-[(trimethylsilyl)oxy]ethenyl}-1H-indole	C20H23NO3SSi	 MF: 488	 RMF: 649	 Prob 12.5%		 Lib: w9n11	 ID: 652707.	"Hit 3 : Silane, 9H-fluoren-9-ylidenebis[trimethyl-"	C19H26Si2	 MF: 477	 RMF: 718	 Prob 8.58%	 CAS: 7351-45-3	 Lib: mainlib	 ID: 43448.	117677	119920	100322	68198	60774	72228	80259	83777	78263	100098	86050	90758	77348	16.84447285	16.87171276	16.61427849	16.05744181	15.89116663	16.1402706	16.29237556	16.3542666	16.25604279	16.61105362	16.39288757	16.4697372	16.23907637	16.77682137	16.02962635	16.30089499	1.046613377	0.06467017	0	0	1	1	1.029196334	0.06467017	0	0	1	1	2	black	black
met13	61276	0.909864	76	9141	30.700001	384.954315	-155	"Hit 1 : (2S,3S)-2,3-Isopropylidenedioxy-4-tosyloxybutan-1-yl tetrahydropyran ether"	C19H28O7S	 MF: 858	 RMF: 860	 Prob 38.2%		 Lib: w9n11	 ID: 675852.	"Hit 2 : 5,6-O-Carbonyl-1,2-O-isopropylidene-3-t-O-tosyl-?,D-glucofuramose"	C17H20O9S	 MF: 851	 RMF: 853	 Prob 29.3%		 Lib: w9n11	 ID: 675688.	"Hit 3 : 3-O-(trimethylsilyl)-5,7,4'-tri-O-methylkaempferol"	C21H24O6Si	 MF: 815	 RMF: 849	 Prob 7.23%		 Lib: w9n11	 ID: 676108.	44010	43717	36584	22443	20208	25589	28212	32497	30673	32948	30800	31174	29380	15.42554375	15.41590678	15.1589252	14.45397792	14.30263892	14.64323615	14.78402132	14.98801892	14.90468166	15.00790327	14.91064273	14.92805566	14.84254678	15.33345858	14.46661766	14.89224063	1.059920082	0.06467017	0	0	1	1	1.029627371	0.06467017	0	0	1	1	2	black	black
met437	65681	1	57	9172	30.804001	73.04615	-388	"Hit 1 : (2S,3S)-2,3-Isopropylidenedioxy-4-tosyloxybutan-1-yl tetrahydropyran ether"	C19H28O7S	 MF: 806	 RMF: 831	 Prob 26.3%		 Lib: w9n11	 ID: 675852.	"Hit 2 : 5,6-O-Carbonyl-1,2-O-isopropylidene-3-t-O-tosyl-?,D-glucofuramose"	C17H20O9S	 MF: 798	 RMF: 823	 Prob 19.6%		 Lib: w9n11	 ID: 675688.	"Hit 3 : 2-tert-Butyl-4,4-bis(difluoroisopropylsilyl)-3,3,5-trimethyl-1,2-diaza-3-sila-5-cyclopente"	C15H32F4N2Si3	 MF: 793	 RMF: 804	 Prob 15.8%		 Lib: w9n11	 ID: 675607.	91345	103613	80429	50397	45775	59334	67630	59135	66813	86607	70882	80980	63670	16.47903814	16.6608455	16.29542816	15.62105024	15.48227227	15.85657142	16.04537573	15.85172464	16.02784122	16.40219601	16.11313169	16.30527802	15.95832614	16.47843727	15.65329798	15.97498053	1.052713447	0.06467017	0	0	1	1	1.031515327	0.06467017	0	0	1	1	2	black	black
met438	14175	1	32	9181	30.834002	84.092651	-733	"Hit 1 : 1,3-dimethyl-2-propylidenimidazolidine"	C8H16N2	 MF: 671	 RMF: 826	 Prob 25.1%	 CAS: 109153-22-2	 Lib: w9n11	 ID: 50673.	Hit 2 : 1-Methyl-5-(1-methylethyl)-1H-pyrazol-3-ol	C7H12N2O	 MF: 661	 RMF: 858	 Prob 17.7%		 Lib: w9n11	 ID: 49902.	Hit 3 : 2-(E)-(2-Oxopropylidene)-5-methyltetrahydrofuran	C8H12O2	 MF: 658	 RMF: 855	 Prob 15.7%		 Lib: w9n11	 ID: 50544.	27238	28371	25233	18248	19039	20630	58809	43487	68043	23077	24951	23368	26117	14.73333315	14.79212938	14.62302412	14.15545073	14.21667008	14.3324562	15.84374934	15.40829657	16.05415913	14.49416807	14.60681002	14.51224664	14.67270157	14.71616222	14.23485901	15.76873501	1.03381159	0.06467017	0	0	1	1	0.933249383	0.06467017	0	0	1	1	2	black	black
met439	54736	1	11	9239	31.028002	193.194504	109	"Hit 1 : 2,3-Diphenylaziridine-2-carboxamide"	C15H14N2O	 MF: 922	 RMF: 948	 Prob 31.3%		 Lib: w9n11	 ID: 290160.	Hit 2 : 2-(2-Thienylmethyleneamino)thiazole	C8H6N2S2	 MF: 889	 RMF: 892	 Prob 8.19%		 Lib: w9n11	 ID: 163927.	Hit 3 : Methyl N-(2-methylphenyl)oxamate	C10H11NO3	 MF: 881	 RMF: 885	 Prob 6.11%		 Lib: w9n11	 ID: 162425.	11554	12422	11198	8427	13396	16645	27077	28169	24211	10684	11248	11546	12491	13.49610478	13.60060985	13.45095346	13.04080341	13.70951466	14.02280125	14.72478028	14.78182073	14.56337505	13.38316426	13.45738088	13.49510551	13.60860136	13.51588937	13.59103977	14.68999202	0.994470592	0.06467017	0	0	1	1	0.920074657	0.06467017	0	0	1	1	2	black	black
met440	57826	1	56	9273	31.143	73.045959	-175	"Hit 1 : DIETHYL 2-(3,5-DICHLORO-2-METHOXYPHENYL)PYRROLE-3,4-DICARBOXYLATE"	C17H17Cl2NO5	 MF: 825	 RMF: 825	 Prob 68.6%	 CAS: 69640-17-1	 Lib: w9n11	 ID: 652441.	"Hit 2 : (2S,3S)-2,3-Isopropylidenedioxy-4-tosyloxybutan-1-yl tetrahydropyran ether"	C19H28O7S	 MF: 763	 RMF: 773	 Prob 11.7%		 Lib: w9n11	 ID: 675852.	"Hit 3 : 5,6-O-Carbonyl-1,2-O-isopropylidene-3-t-O-tosyl-?,D-glucofuramose"	C17H20O9S	 MF: 753	 RMF: 763	 Prob 8.28%		 Lib: w9n11	 ID: 675688.	62616	64731	51146	39812	40123	45505	46754	51346	48239	51385	49757	51422	46779	15.93424373	15.98216917	15.64233379	15.28091573	15.29214186	15.47373745	15.51280218	15.64796427	15.55791238	15.64905966	15.60261188	15.6500981	15.5135734	15.85291557	15.34893168	15.57289294	1.032835112	0.06467017	0	0	1	1	1.017981413	0.06467017	0	0	1	1	2	black	black
met441	57750	1	49	9297	31.223	191.143204	-284	Hit 1 : 2-tert-Butyl-4-trifluoromethyl-1-methylimidazole	C9H13F3N2	 MF: 828	 RMF: 938	 Prob 40.9%		 Lib: w9n11	 ID: 196560.	Hit 2 : acetone (1R)-(+)-camphor azine	C13H22N2	 MF: 795	 RMF: 898	 Prob 10.7%		 Lib: w9n11	 ID: 198936.	Hit 3 : 5-Isopropyl-4-(trifluoromethyl)-1H-pyrimidin-2-one	C8H9F3N2O	 MF: 787	 RMF: 897	 Prob 7.98%		 Lib: w9n11	 ID: 196285.	77240	85601	75422	65854	63958	65681	33878	34499	40874	154402	138599	130160	146797	16.23706054	16.38534003	16.20269779	16.00698345	15.96483721	16.00318847	15.04806109	15.07426692	15.31889581	17.23633191	17.08055732	16.98992663	17.16346296	16.27503279	15.99166971	15.14707461	1.017719418	0.06467017	0	0	1	1	1.074467064	0.06467017	0	0	1	1	2	black	black
met442	57991	1	16	9315	31.283001	118.042152	-642	"Hit 1 : 2-Phenyl-3,4-dihydroisoquinoline-1(2H)-one"	C15H13NO	 MF: 697	 RMF: 878	 Prob 66.8%		 Lib: w9n11	 ID: 247163.	"Hit 2 : (3R)-3-Phenyl-3,4-dihydroisoquinolin-1(2H)-one"	C15H13NO	 MF: 663	 RMF: 804	 Prob 17.1%		 Lib: w9n11	 ID: 247225.	"Hit 3 : 1-Phenyl-2-(hydroxymethyl)deca-1,9-dien-3-yne"	C17H20O	 MF: 627	 RMF: 771	 Prob 4.23%		 Lib: w9n11	 ID: 297201.	8650	11365	12671	7563	13616	11091	14842	15890	12252	6217	15854	14142	18379	13.07848442	13.47231006	13.62924277	12.8847429	13.73301532	13.43710183	13.85739789	13.9558315	13.58072965	12.60200286	13.95255926	13.78769854	14.16577065	13.39334575	13.35162002	13.79798635	1.003125144	0.073394475	0	0	1	1	0.970673938	0.073394475	0	0	1	1	2	black	black
met11	61278	0.907899	31	9402	31.575001	259.972565	-447	Hit 1 : Methyl 3-amino-5-[(methoxycarbonyl)methylthio]-4-(phenylsulfinyl)-2-thiophenecarboxylate	C15H15NO5S3	 MF: 735	 RMF: 779	 Prob 71.4%	 CAS: 139427-37-5	 Lib: w9n11	 ID: 652348.	"Hit 2 : Dimethyl 4-[(2',4',6'-trimethoxyphenyl)ethynyl]pyridine-2,6-dicarboxylate"	C20H19NO7	 MF: 690	 RMF: 736	 Prob 15.2%		 Lib: w9n11	 ID: 652687.	"Hit 3 : 2,4-Diphenyl-6-methylpyridine-1-oxide"	C18H15NO	 MF: 632	 RMF: 845	 Prob 2.80%		 Lib: w9n11	 ID: 355892.	22608	21406	18870	12329	11882	13174	14586	14074	15543	17587	15752	17303	15231	14.46454575	14.38572761	14.2038068	13.58976817	13.53649007	13.68540583	13.83229668	13.7807448	13.92397737	14.10222179	13.9432474	14.07873457	13.89472305	14.35136006	13.60388803	13.84567295	1.054945471	0.06467017	0	0	1	1	1.036523115	0.06467017	0	0	1	1	2	black	black
met443	65509	1	45	9413	31.612	73.046028	-301	"Hit 1 : (2S,3S)-2,3-Isopropylidenedioxy-4-tosyloxybutan-1-yl tetrahydropyran ether"	C19H28O7S	 MF: 846	 RMF: 857	 Prob 28.5%		 Lib: w9n11	 ID: 675852.	"Hit 2 : 5,6-O-Carbonyl-1,2-O-isopropylidene-3-t-O-tosyl-?,D-glucofuramose"	C17H20O9S	 MF: 837	 RMF: 848	 Prob 20.7%		 Lib: w9n11	 ID: 675688.	"Hit 3 : 2-tert-Butyl-4,4-bis(difluoroisopropylsilyl)-3,3,5-trimethyl-1,2-diaza-3-sila-5-cyclopente"	C15H32F4N2Si3	 MF: 835	 RMF: 845	 Prob 19.1%		 Lib: w9n11	 ID: 675607.	61629	69484	53237	32505	29745	38023	44808	44177	43027	59217	47016	52962	43945	15.91132176	16.08439319	15.70014165	14.98837403	14.86035956	15.21458474	15.45146871	15.43100783	15.39295463	15.85372378	15.52086418	15.69266998	15.42341141	15.89861887	15.02110611	15.42514373	1.058418651	0.06467017	0	0	1	1	1.030695023	0.06467017	0	0	1	1	2	black	black
met444	55904	1	40	9425	31.652	205.159134	-324	"Hit 1 : N',P-Di-isopropyl-N-t-butylphosphonic diamide"	C10H25N2OP	 MF: 792	 RMF: 926	 Prob 70.6%	 CAS: 78301-00-5	 Lib: w9n11	 ID: 235494.	Hit 2 : 3-(Dimethylphenylsilyl)-2-methylpropionamide	C12H19NOSi	 MF: 761	 RMF: 896	 Prob 19.2%		 Lib: w9n11	 ID: 239955.	Hit 3 : 4-[Phenylethynyl]-acetophenone	C16H12O	 MF: 736	 RMF: 865	 Prob 5.86%		 Lib: w9n11	 ID: 238749.	9023	8404	10691	6184	6008	7142	23216	19161	29810	9988	11596	11243	11000	13.13939147	13.03686045	13.38410918	12.5943246	12.5526691	12.80211242	14.5028318	14.22588524	14.86350875	13.28598011	13.50133962	13.45673942	13.4252159	13.18678703	12.64970204	14.53074193	1.042458312	0.06467017	0	0	1	1	0.907509547	0.06467017	0	0	1	1	2	black	black
met445	52117	1	55	9503	31.914	173.874649	171	Hit 1 : (Z)-4-Chloronon-3-en-2-one	C9H15ClO	 MF: 872	 RMF: 927	 Prob 45.0%		 Lib: w9n11	 ID: 117167.	Hit 2 : 3-Butyl-4-chloro-4-penten-2-one	C9H15ClO	 MF: 856	 RMF: 911	 Prob 25.9%		 Lib: w9n11	 ID: 117161.	"Hit 3 : 2,6-Dichloro-N-methyl-N-nitrosoaniline"	C7H6Cl2N2O	 MF: 836	 RMF: 890	 Prob 11.8%		 Lib: w9n11	 ID: 190092.	89169	94094	102991	101195	20744	51001	226870	140130	410914	12257	665	13364	500	16.44425462	16.52181511	16.65215875	16.62677848	14.34040649	15.63823791	17.79150632	17.09640633	18.64847696	13.58131829	9.37721053	13.70606427	8.965784285	16.53940949	15.53514096	17.8454632	1.064644958	0.06467017	0	0	1	1	0.926813124	0.06467017	0	0	1	1	2	black	black
met446	5299	1	96	9532	32.011002	205.158707	-107	"Hit 1 : 2,3-dicyano-7,7-dimethyl-5,6-benzonorbornadiene"	C15H12N2	 MF: 921	 RMF: 958	 Prob 10.1%	 CAS: 117461-22-0	 Lib: w9n11	 ID: 237741.	"Hit 2 : 3,3-Diphenyl-1-methylidenecyclobutane"	C17H16	 MF: 919	 RMF: 956	 Prob 9.32%		 Lib: w9n11	 ID: 238887.	Hit 3 : 2-Phenyl-4-trimethylsilyl-3-buten-2-ol	C13H20OSi	 MF: 918	 RMF: 954	 Prob 8.95%		 Lib: w9n11	 ID: 236965.	100424	14440	22237	20707	36230	7685	326104	283411	544201	6540	15976	29240	24710	16.61574457	13.81778312	14.44067455	14.33783093	15.14489719	12.90782954	18.31497261	18.11253623	19.05378008	12.67507492	13.96361862	14.83565569	14.59280739	14.95806741	14.13018589	18.49376297	1.058589571	0.06467017	0	0	1	1	0.808816866	0.06467017	0	1	1	2	3	black	red
met447	30444	1	124	9564	32.118999	78.966553	-115	"Hit 1 : Pentasulfide, dimethyl"	C2H6S5	 MF: 795	 RMF: 864	 Prob 90.8%	 CAS: 7330-31-6	 Lib: mainlib	 ID: 48553.	"Hit 2 : Pentasulfide, dimethyl"	C2H6S5	 MF: 795	 RMF: 864	 Prob 90.8%	 CAS: 7330-31-6	 Lib: w9n11	 ID: 153503.	"Hit 3 : Trisulfide, dimethyl (CAS)"	C2H6S3	 MF: 675	 RMF: 852	 Prob 4.76%	 CAS: 3658-80-8	 Lib: w9n11	 ID: 30207.	96784	99117	108348	175356	19816	35921	31350	33871	28428	500	500	500	500	16.56248095	16.5968449	16.725313	17.41992727	14.27437815	15.13253989	14.93617782	15.04776296	14.79502498	8.965784285	8.965784285	8.965784285	8.965784285	16.62821295	15.60894844	14.92632192	1.065300011	0.06467017	0	0	1	1	1.114019451	0.06467017	1	0	1	2	3	black	red
met448	61280	1	150	9567	32.129002	177.127197	-513	"Hit 1 : 2,5-Cyclohexadiene-1,4-dione, 2,6-bis(1,1-dimethylethyl)- (CAS)"	C14H20O2	 MF: 742	 RMF: 852	 Prob 65.6%	 CAS: 719-22-2	 Lib: w9n11	 ID: 237062.	"Hit 2 : 2,5-Cyclohexadiene-1,4-dione, 2,6-bis(1,1-dimethylethyl)- (CAS)"	C14H20O2	 MF: 739	 RMF: 859	 Prob 65.6%	 CAS: 719-22-2	 Lib: w9n11	 ID: 237066.	"Hit 3 : 2,5-Cyclohexadiene-1,4-dione, 2,6-bis(1,1-dimethylethyl)-"	C14H20O2	 MF: 723	 RMF: 828	 Prob 65.6%	 CAS: 719-22-2	 Lib: replib	 ID: 26636.	185955	172566	146642	100387	106812	112014	192737	172205	199922	207680	212116	226555	237328	17.50459401	17.39678872	17.16193884	16.61521293	16.70471421	16.77331953	17.55627403	17.39376751	17.60907771	17.66400276	17.69449392	17.78950181	17.85652279	17.35444052	16.69774889	17.51970642	1.039328154	0.06467017	0	0	1	1	0.990566857	0.06467017	0	0	1	1	2	black	black
met449	32185	1	37	9600	32.240002	57.0695	-799	"Hit 1 : Sulfurous acid, 2-ethylhexyl hexyl ester"	C14H30O3S	 MF: 684	 RMF: 890	 Prob 33.2%		 Lib: mainlib	 ID: 25240.	"Hit 2 : Sulfurous acid, 2-ethylhexyl hexyl ester"	C14H30O3S	 MF: 684	 RMF: 890	 Prob 33.2%		 Lib: w9n11	 ID: 403282.	"Hit 3 : Sulfurous acid, 2-ethylhexyl isohexyl ester"	C14H30O3S	 MF: 651	 RMF: 852	 Prob 8.68%		 Lib: mainlib	 ID: 24182.	28612	26655	7963	18790	22045	28116	45809	56189	49071	500	22917	500	23767	14.80433273	14.70211856	12.95909634	14.19767745	14.42816386	14.77910374	15.48334345	15.7780001	15.58258305	8.965784285	14.48413058	8.965784285	14.53667219	14.15518254	14.46831501	15.6146422	0.978357364	0.066607529	0	0	1	1	0.906532622	0.066607529	0	0	1	1	2	black	black
met450	59344	1	106	9619	32.303001	259.973572	-623	"Hit 1 : 2,4-Diphenyl-6-methylpyridine-1-oxide"	C18H15NO	 MF: 741	 RMF: 896	 Prob 19.9%		 Lib: w9n11	 ID: 355892.	"Hit 2 : 3,4-epoxy-7-methyl-1,2,3,4-tetrahydrobenz[a]anthracene"	C19H16O	 MF: 730	 RMF: 909	 Prob 13.6%		 Lib: w9n11	 ID: 353801.	"Hit 3 : 3,4-epoxy-12-methyl-1,2,3,4-tetrahydrobenz[a]anthracene"	C19H16O	 MF: 730	 RMF: 908	 Prob 13.6%		 Lib: w9n11	 ID: 353802.	163055	171711	144568	85451	76975	90941	97796	106495	99424	134953	107225	114897	100446	17.31499916	17.38962294	17.14138872	16.38280975	16.23210234	16.47264325	16.57748784	16.70042617	16.60130653	17.04209752	16.71028179	16.8099816	16.61606059	17.28200361	16.36251845	16.62640684	1.056194599	0.06467017	0	0	1	1	1.039431055	0.06467017	0	0	1	1	2	black	black
met27	65457	0.99668	156	9634	32.354	281.050201	-642	"Hit 1 : Cycloheptasiloxane, tetradecamethyl-"	C14H42O7Si7	 MF: 695	 RMF: 701	 Prob 65.5%	 CAS: 107-50-6	 Lib: w9n11	 ID: 777328.	"Hit 2 : Cycloheptasiloxane, tetradecamethyl-"	C14H42O7Si7	 MF: 695	 RMF: 700	 Prob 65.5%	 CAS: 107-50-6	 Lib: mainlib	 ID: 43769.	Hit 3 : TETRADECAMETHYLCYCLOHEPTASILOXANE	C14H42O7Si7	 MF: 692	 RMF: 697	 Prob 65.5%	 CAS: 107-50-6	 Lib: w9n11	 ID: 777329.	1620000	1720000	1460000	693468	778162	912509	1310000	1220000	196494	1330000	1030000	1260000	1010000	20.62756238	20.71397713	20.47753694	19.40346979	19.56971101	19.79947926	20.32113538	20.21844972	17.58412573	20.34299482	19.97421291	20.2649923	19.94592386	20.60635882	19.59088668	19.37457028	1.051833904	0.069963629	0	0	1	1	1.063577593	0.069963629	0	0	1	1	2	black	black
met451	30653	1	199	9659	32.438	161.095795	-197	"Hit 1 : 2,6-DI-T-BUTYL-4-METHYLENE-2,5-CYCLOHEXADIENE-1-ONE"	C15H22O	 MF: 837	 RMF: 870	 Prob 62.3%	 CAS: 2607-52-5	 Lib: w9n11	 ID: 232080.	"Hit 2 : 2,6-Di-tert-butyl-4-bromomethyl-phenol"	C15H23BrO	 MF: 785	 RMF: 934	 Prob 12.4%		 Lib: w9n11	 ID: 458948.	"Hit 3 : 1s,4R,7R,11R-1,3,4,7-Tetramethyltricyclo[5.3.1.0(4,11)]undec-2-en-8-one"	C15H22O	 MF: 733	 RMF: 785	 Prob 2.48%	 CAS: 137235-42-8	 Lib: mainlib	 ID: 151177.	881860	742397	1010000	448495	689669	534571	3460000	3440000	5310000	849209	854549	995193	1220000	19.75019011	19.50183136	19.94592386	18.77473238	19.39554459	19.02802205	21.72234061	21.71397713	22.34028043	19.69576014	19.70480369	19.92461681	20.21844972	19.73264844	19.06609967	21.92553272	1.034959891	0.06467017	0	0	1	1	0.899984903	0.06467017	0	1	1	2	3	black	red
met452	59211	1	55	9754	32.756001	73.046082	-350	"Hit 1 : 2,7-bis[2'-(Methoxycarbonyl)ethyl]-N-methylphenothiazine"	C21H23NO4S	 MF: 611	 RMF: 619	 Prob 78.2%		 Lib: w9n11	 ID: 652777.	"Hit 2 : 3-O-(trimethylsilyl)-5,7,4'-tri-O-methylkaempferol"	C21H24O6Si	 MF: 560	 RMF: 560	 Prob 15.8%		 Lib: w9n11	 ID: 676108.	Hit 3 : tert-Butyldimethylsilyl (R)-3-(tert-butyldimethylsilyloxy)-5-methoxy-3-methylhex-5-enoate	C20H42O4Si2	 MF: 443	 RMF: 759	 Prob 0.89%		 Lib: w9n11	 ID: 678993.	44432	48242	36430	25198	20534	24420	30861	34929	32553	41452	34867	40585	30125	15.43931146	15.5580021	15.15283937	14.62102161	14.32572707	14.57577558	14.91349719	15.09213772	14.99050288	15.33915409	15.08957462	15.30865899	14.87867362	15.38338431	14.50750809	14.9987126	1.060373995	0.06467017	0	0	1	1	1.025646982	0.06467017	0	0	1	1	2	black	black
met15	16559	0.94381	45	9803	32.921001	55.054218	-642	"Hit 1 : 1,1'-Biphenyl, 2-methyl- (CAS)"	C13H12	 MF: 694	 RMF: 902	 Prob 39.8%	 CAS: 643-58-3	 Lib: w9n11	 ID: 105766.	"Hit 2 : 2,3-dihydro-1H-cyclopent[e]azulene"	C13H12	 MF: 682	 RMF: 887	 Prob 26.5%	 CAS: 14311-05-8	 Lib: w9n11	 ID: 105822.	"Hit 3 : 7,8-DIHYDRO-6H-BENZO[3,4]CYCLOBUTA[1,2]CYCLOHEPTENE"	C13H12	 MF: 667	 RMF: 895	 Prob 16.1%	 CAS: 39675-35-9	 Lib: w9n11	 ID: 105811.	21195	500	500	500	49174	500	62045	53044	67407	500	500	500	500	14.37143635	8.965784285	8.965784285	8.965784285	15.58560809	8.965784285	15.92102733	15.69490195	16.0406108	8.965784285	8.965784285	8.965784285	8.965784285	10.76766831	11.17239222	15.88551336	0.963774641	0.206987496	0	0	0	0	0.67782942	0.206987496	0	1	0	1	1	black	black
met32	61219	0.999669	25	9808	32.938	259.973145	-279	Hit 1 : 2-amino-3-aminocarbonyl-5-(p-methoxyphenyl)pyrazine 1-oxide	C12H12N4O3	 MF: 796	 RMF: 796	 Prob 71.2%	 CAS: 113120-68-6	 Lib: w9n11	 ID: 351161.	"Hit 2 : 4,5-Dihydro-4-(2-pyrrolyl)benzo[5,6]cycloocta[1,2-b]pyrrole"	C18H16N2	 MF: 737	 RMF: 769	 Prob 12.9%		 Lib: w9n11	 ID: 353677.	"Hit 3 : 2,4-Diphenyl-6-methylpyridine-1-oxide"	C18H15NO	 MF: 713	 RMF: 713	 Prob 4.31%		 Lib: w9n11	 ID: 355892.	11248	10788	9854	6970	6088	8020	7089	8730	6932	9032	10113	6793	9040	13.45738088	13.39713981	13.26649376	12.76694294	12.57175264	12.96938652	12.79136641	13.09176594	12.75905594	13.14082977	13.30392341	12.72983314	13.14210706	13.37367148	12.7693607	12.88072943	1.047325061	0.06467017	0	0	1	1	1.038269731	0.06467017	0	0	1	1	2	black	black
met453	17884	1	43	9811	32.948002	187.111557	-1502	"Hit 1 : 1,4-Dihydro-2,7-dimethoxy-3,6-dimethylnaphthalene"	C14H18O2	 MF: 534	 RMF: 677	 Prob 29.5%		 Lib: w9n11	 ID: 231649.	"Hit 2 : 1,2-O-isopropylidene-D-threuronic acid 4,1-lactone"	C8H10O6	 MF: 508	 RMF: 800	 Prob 8.84%		 Lib: w9n11	 ID: 185178.	Hit 3 : 1-Dimethyl(phenyl)silylcyclopentene	C13H18Si	 MF: 503	 RMF: 792	 Prob 7.12%		 Lib: w9n11	 ID: 187561.	11286	9212	10880	8156	7775	7100	24223	17826	24869	10138	10925	11515	10770	13.46224663	13.1692987	13.40939094	12.99364606	12.92462696	12.79360331	14.56408993	14.12169539	14.60206088	13.30748545	13.41534566	13.49122679	13.39473063	13.34697876	12.90395878	14.42928207	1.034332098	0.06467017	0	0	1	1	0.924992574	0.06467017	0	0	1	1	2	black	black
met454	32186	1	27	9818	32.971001	71.085098	-625	Hit 1 : n-cetyl thiocyanate	C17H33NS	 MF: 764	 RMF: 956	 Prob 8.53%		 Lib: w9n11	 ID: 418640.	Hit 2 : n-Cetyl thiocyanate	C17H33NS	 MF: 764	 RMF: 956	 Prob 8.53%		 Lib: w9n11	 ID: 418641.	Hit 3 : Hexacosane (CAS)	C26H54	 MF: 760	 RMF: 948	 Prob 7.20%	 CAS: 630-01-3	 Lib: w9n11	 ID: 620060.	15772	20852	7371	13747	19975	19186	14892	23569	19154	6269	6549	21285	9646	13.945078	14.34789814	12.84764464	13.74682919	14.28590788	14.22776634	13.8622499	14.52460293	14.22535809	12.61401961	12.67705892	14.37754947	13.23571509	13.71354026	14.08683447	14.20407031	0.97350049	0.778432955	0	0	0	0	0.96546553	0.778432955	0	0	0	0	0	black	black
met455	59340	1	82	9828	33.005001	252.948349	-1230	"Hit 1 : 2-(2-Pyridyl)-3-(trimethylsilyl)-6,7-dihydro-5H-cyclopenta[b]pyridine"	C16H20N2Si	 MF: 565	 RMF: 872	 Prob 30.4%		 Lib: w9n11	 ID: 376141.	Hit 2 : 2-(dimethylamino)-3-phenylbenzo[b]thiophene	C16H15NS	 MF: 564	 RMF: 805	 Prob 29.2%	 CAS: 111359-33-2	 Lib: w9n11	 ID: 333093.	"Hit 3 : 2-[(tert-Butyldimethylsilyl)oxy]-4-phenyl-1,3-butadiene"	C16H24OSi	 MF: 534	 RMF: 840	 Prob 8.12%	 CAS: 104210-91-5	 Lib: w9n11	 ID: 353272.	157813	152139	140897	89794	71940	89425	91195	103775	106529	117991	96344	98001	101060	17.26785653	17.2150305	17.10428137	16.45433143	16.13450654	16.44839059	16.47666711	16.66309941	16.7008867	16.84831729	16.5559072	16.58050885	16.62485256	17.1957228	16.34574285	16.61355107	1.052000081	0.06467017	0	0	1	1	1.03504198	0.06467017	0	0	1	1	2	black	black
met456	11515	1	9	9843	33.055	81.069229	-903	Hit 1 : 3-?-[2-(2-Hydroxyethyl)phenylmethyl]-5?-cholestan-3?-ol	C36H58O2	 MF: 515	 RMF: 546	 Prob 73.4%		 Lib: w9n11	 ID: 779343.	"Hit 2 : 2,4,4-Trideuterio-5?-cholest-1-en-3-one"	C27H41D3O	 MF: 458	 RMF: 494	 Prob 13.8%		 Lib: w9n11	 ID: 652163.	Hit 3 : 3?-[2-(2-Hydroxyethyl)phenylmethyl]-5?-cholestan-3?-ol	C36H58O2	 MF: 445	 RMF: 471	 Prob 8.89%		 Lib: w9n11	 ID: 779342.	12701	500	500	4802	500	500	500	500	500	500	500	500	500	13.63265447	8.965784285	8.965784285	12.22941969	8.965784285	8.965784285	8.965784285	8.965784285	8.965784285	8.965784285	8.965784285	8.965784285	8.965784285	10.52140768	10.05366275	8.965784285	1.046524828	0.200749237	0	0	0	0	1.173506672	0.200749237	1	0	0	1	1	black	black
met457	61143	1	42	9854	33.091999	73.046021	-1374	"Hit 1 : 1-(2,6-dimethylphenyl)-4,4-diphenyl-2-(methylamino)-2-imidazoline-5-thione"	C24H23N3S	 MF: 440	 RMF: 768	 Prob 43.2%	 CAS: 118515-03-0	 Lib: w9n11	 ID: 653237.	"Hit 2 : (S)-1-{ 2'-[ 2""-( 2'""-Phenylethyl)-1"",3""-dioxolan-2""-yl]phenoxy}-3-propylamino-2-propanol"	C23H31NO4	 MF: 417	 RMF: 634	 Prob 15.8%		 Lib: w9n11	 ID: 653168.	"Hit 3 : 1-(Phenylsulfonyl)-6'-isopropyl-3,4-benzo-?-carboline"	C24H20N2O2S	 MF: 402	 RMF: 498	 Prob 9.55%		 Lib: w9n11	 ID: 676607.	38125	18251	28702	22228	19720	20793	27886	27687	25726	32373	25065	31226	23270	15.21844972	14.15568789	14.80886365	14.44009052	14.26737193	14.3438103	14.76725339	14.75692112	14.65093954	14.98250345	14.61338661	14.93046015	14.50618359	14.72766709	14.35042425	14.72503801	1.026287922	0.070715784	0	0	1	1	1.000178544	0.070715784	0	0	1	1	2	black	black
met458	59254	1	49	9875	33.161999	259.973724	-570	"Hit 1 : 2,9,11-Trimethyl-6H-indolo[2,3-b]quinoline"	C18H16N2	 MF: 761	 RMF: 896	 Prob 13.6%		 Lib: w9n11	 ID: 353692.	"Hit 2 : 2,6-Diphenyl-4-methylpyridine-1-oxide"	C18H15NO	 MF: 761	 RMF: 867	 Prob 13.6%		 Lib: w9n11	 ID: 355893.	"Hit 3 : 3,4-epoxy-7-methyl-1,2,3,4-tetrahydrobenz[a]anthracene"	C19H16O	 MF: 757	 RMF: 892	 Prob 11.5%		 Lib: w9n11	 ID: 353801.	47642	45882	43099	30184	29004	33128	37985	43011	39671	41938	39522	42560	38236	15.53994636	15.48564066	15.39536678	14.88149638	14.82396426	15.01576349	15.2131422	15.39241805	15.27579714	15.35597044	15.27036834	15.37721053	15.22264399	15.47365126	14.90707471	15.2937858	1.038007226	0.06467017	0	0	1	1	1.011760689	0.06467017	0	0	1	1	2	black	black
met459	29970	1	80	9887	33.202999	58.041256	-632	Hit 1 : 2-Tridecanone	C13H26O	 MF: 735	 RMF: 783	 Prob 56.7%	 CAS: 593-08-8	 Lib: mainlib	 ID: 27962.	Hit 2 : 2-Tridecanone	C13H26O	 MF: 735	 RMF: 783	 Prob 56.7%	 CAS: 593-08-8	 Lib: w9n11	 ID: 177943.	Hit 3 : 1-Methylcyclododecanol	C13H26O	 MF: 715	 RMF: 756	 Prob 25.8%	 CAS: 32400-09-2	 Lib: mainlib	 ID: 38840.	120388	93144	49544	44093	46785	49050	229265	130924	261953	2972	4159	5926	6802	16.87733207	16.50717522	15.59642273	15.42826202	15.51375843	15.58196552	17.8066566	16.99837006	17.99894846	11.5372184	12.02202097	12.53284291	12.73174329	16.32697667	15.50799532	17.60132504	1.052810266	0.094964617	0	0	1	1	0.927599294	0.094964617	0	0	1	1	2	black	black
met460	32299	1	45	9941	33.384003	71.084938	-509	Hit 1 : Dodecyl nonyl ether	C21H44O	 MF: 800	 RMF: 816	 Prob 11.9%		 Lib: mainlib	 ID: 25305.	"Hit 2 : Carbonic acid, octadecyl vinyl ester"	C21H40O3	 MF: 784	 RMF: 786	 Prob 6.84%		 Lib: mainlib	 ID: 25473.	"Hit 3 : Carbonic acid, eicosyl vinyl ester"	C23H44O3	 MF: 782	 RMF: 786	 Prob 6.31%		 Lib: mainlib	 ID: 25472.	105106	104164	9452	47164	77563	274178	172404	183094	133505	58228	67500	76002	81842	16.6814855	16.66849723	13.20640391	15.52539846	16.24308098	18.06475329	17.39543372	17.48222499	17.02653425	15.82942545	16.04259988	16.21374976	16.32055378	15.51879555	16.61107758	17.30139765	0.934243759	0.269815116	0	0	0	0	0.89696774	0.269815116	0	1	0	1	1	black	black
met461	44197	1	181	9956	33.434002	205.158112	120	Hit 1 : BUTYL HYDROXY TOLUENE	C15H24O	 MF: 900	 RMF: 903	 Prob 60.7%	 CAS: 128-37-0	 Lib: w9n11	 ID: 238168.	Hit 2 : Butylated Hydroxytoluene	C15H24O	 MF: 892	 RMF: 894	 Prob 60.7%	 CAS: 128-37-0	 Lib: mainlib	 ID: 187220.	Hit 3 : Butylated Hydroxytoluene	C15H24O	 MF: 888	 RMF: 891	 Prob 60.7%	 CAS: 128-37-0	 Lib: replib	 ID: 29004.	2950000	1760000	3100000	465191	308730	392906	8330000	8330000	8040000	109770	163139	160163	183915	21.49228352	20.747144	21.56383678	18.82746366	18.23598615	18.58382467	22.98988506	22.98988506	22.93876407	16.7441243	17.31574219	17.28918138	17.48867962	21.26775477	18.5490915	22.97284473	1.146565845	0.06467017	1	0	1	2	0.925778023	0.06467017	0	0	1	1	3	red	black
met25	59208	0.98983	23	9957	33.437	220.307663	-1090	Hit 1 : methyl N-p-methoxybenzylidene-2-(2'-cyanoethyl)valinate	C17H22N2O3	 MF: 506	 RMF: 842	 Prob 51.7%	 CAS: 119993-25-8	 Lib: w9n11	 ID: 470948.	"Hit 2 : 1,1-Bis(trimethylsilyl)-1-germacycyclopent-3-ene"	C10H24GeSi2	 MF: 457	 RMF: 836	 Prob 10.6%		 Lib: w9n11	 ID: 391320.	"Hit 3 : 8?,13-epoxy-20-iodolabdan-2?-ol"	C20H35IO2	 MF: 448	 RMF: 630	 Prob 7.71%		 Lib: w9n11	 ID: 718992.	53751	28565	58115	500	500	500	500	500	500	1931	3384	3019	4131	15.71400397	14.80196091	15.82662296	8.965784285	8.965784285	8.965784285	8.965784285	8.965784285	8.965784285	10.91513245	11.72451385	11.55985504	12.01227534	15.44752928	8.965784285	8.965784285	1.722942332	0.06467017	1	0	1	2	1.722942332	0.06467017	1	0	1	2	4	red	red
met462	44108	1	49	9978	33.507999	191.143585	103	Hit 1 : 4-(Trimethylsilyl-2-propynyl)cyclohex-2-en-1-one	C12H18OSi	 MF: 834	 RMF: 864	 Prob 83.1%		 Lib: w9n11	 ID: 198171.	"Hit 2 : 3,6-Dimethyl-2-(1-(trimethylsilyl)ethen-2-yl)pyrazine"	C11H18N2Si	 MF: 719	 RMF: 784	 Prob 4.98%		 Lib: w9n11	 ID: 197489.	"Hit 3 : 3,6-Dimethyl-2-(1-(trimethylsilyl)ethen-2-yl)pyrazine"	C11H18N2Si	 MF: 711	 RMF: 848	 Prob 3.71%		 Lib: w9n11	 ID: 197488.	375298	579934	253427	213428	214405	202749	533569	495004	470619	157240	206667	279434	201262	18.51767708	19.1455292	17.95121071	17.70338993	17.70997902	17.62933527	19.02531532	18.91708066	18.84420004	17.26260874	17.65694852	18.09214805	17.61871528	18.53813899	17.68090141	18.92886534	1.048483817	0.070715784	0	0	1	1	0.979358174	0.070715784	0	0	1	1	2	black	black
met463	59256	1	58	9988	33.541	259.973846	-275	"Hit 1 : 2,4-Diphenyl-6-methylpyridine-1-oxide"	C18H15NO	 MF: 801	 RMF: 892	 Prob 52.4%		 Lib: w9n11	 ID: 355892.	"Hit 2 : 2,6-Diphenyl-4-methylpyridine-1-oxide"	C18H15NO	 MF: 791	 RMF: 878	 Prob 37.0%		 Lib: w9n11	 ID: 355893.	Hit 3 : 2-amino-3-aminocarbonyl-5-(p-methoxyphenyl)pyrazine 1-oxide	C12H12N4O3	 MF: 733	 RMF: 825	 Prob 6.80%	 CAS: 113120-68-6	 Lib: w9n11	 ID: 351161.	22203	19085	18290	14360	12796	15081	18251	19552	18432	17710	17012	18920	16496	14.438467	14.22015157	14.15876745	13.80976813	13.64340528	13.88044447	14.15568789	14.25502857	14.169925	14.11227659	14.05426514	14.20762447	14.00982862	14.27246201	13.77787263	14.19354715	1.035897369	0.06467017	0	0	1	1	1.005559911	0.06467017	0	0	1	1	2	black	black
met464	37116	1	56	10013	33.625	191.830475	135	Hit 1 : Hexathiane	S6	 MF: 910	 RMF: 921	 Prob 61.6%	 CAS: 13798-23-7	 Lib: replib	 ID: 7802.	"Hit 2 : 2,6-Dichloro-4-methoxyphenol"	C7H6Cl2O2	 MF: 886	 RMF: 889	 Prob 20.6%		 Lib: w9n11	 ID: 158324.	Hit 3 : Hexathiane	S6	 MF: 882	 RMF: 889	 Prob 61.6%	 CAS: 13798-23-7	 Lib: mainlib	 ID: 178742.	4750000	648129	3520000	211517	7692	51138	106887	128872	576822	3960000	500	576890	500	22.17949608	19.30592146	21.747144	17.69041409	12.90914305	15.64210812	16.70572687	16.97557932	19.13776666	21.917069	8.965784285	19.13793673	8.965784285	21.07752051	15.41388842	17.60635762	1.367436946	0.06467017	1	0	1	2	1.197153947	0.06467017	1	0	1	2	4	red	red
met465	61213	1	31	10031	33.686001	63.973526	-361	Hit 1 : 2-amino-3-aminocarbonyl-5-(p-methoxyphenyl)pyrazine 1-oxide	C12H12N4O3	 MF: 744	 RMF: 865	 Prob 71.8%	 CAS: 113120-68-6	 Lib: w9n11	 ID: 351161.	"Hit 2 : 2,6-Diphenyl-4-methylpyridine-1-oxide"	C18H15NO	 MF: 674	 RMF: 784	 Prob 10.4%		 Lib: w9n11	 ID: 355893.	"Hit 3 : 2,4-Diphenyl-6-methylpyridine-1-oxide"	C18H15NO	 MF: 668	 RMF: 779	 Prob 8.20%		 Lib: w9n11	 ID: 355892.	500	500	500	500	500	500	500	500	171370	148294	500	500	500	8.965784285	8.965784285	8.965784285	8.965784285	8.965784285	8.965784285	8.965784285	8.965784285	17.38675505	17.1781007	8.965784285	8.965784285	8.965784285	8.965784285	8.965784285	11.77277454	1	0.234919685	0	0	0	0	0.761569353	0.234919685	0	1	0	1	1	black	black
met466	51769	1	44	10052	33.756001	170.071945	-197	"Hit 1 : [1,1'-Biphenyl]-2-ol (CAS)"	C12H10O	 MF: 838	 RMF: 954	 Prob 60.3%	 CAS: 90-43-7	 Lib: w9n11	 ID: 110276.	Hit 2 : o-Hydroxybiphenyl	C12H10O	 MF: 799	 RMF: 879	 Prob 60.3%	 CAS: 90-43-7	 Lib: replib	 ID: 26038.	Hit 3 : o-Hydroxybiphenyl	C12H10O	 MF: 799	 RMF: 879	 Prob 60.3%	 CAS: 90-43-7	 Lib: w9n11	 ID: 110273.	66610	56512	55523	54364	49203	47540	68691	60905	68256	72227	51783	50132	61803	16.02345116	15.78626963	15.7607979	15.73036399	15.58645866	15.53685428	16.06783347	15.89427305	16.05866825	16.14025063	15.66019093	15.61344417	15.91538925	15.85683956	15.61789231	16.00692492	1.015299584	0.066579461	0	0	1	1	0.990623723	0.066579461	0	0	1	1	2	black	black
met467	52029	1	31	10070	33.817001	191.830582	-496	"Hit 1 : 8-Chloro-4H-tetrazolo[5,1-c][1,4]benzoxazin-4-one"	C8H3ClN4O2	 MF: 756	 RMF: 813	 Prob 20.1%		 Lib: w9n11	 ID: 240932.	"Hit 2 : 2,6-Dichloro-4-methoxyphenol"	C7H6Cl2O2	 MF: 755	 RMF: 822	 Prob 19.3%		 Lib: w9n11	 ID: 158324.	"Hit 3 : 4-Bromo-1,4-(exo)-dimethyl-6,8-dioxabicyclo[3.2.1]octane"	C8H13BrO2	 MF: 752	 RMF: 875	 Prob 17.0%		 Lib: w9n11	 ID: 234835.	500	500	5792	1888	500	500	42023	8917	50670	45971	500	6053	500	8.965784285	8.965784285	12.49984589	10.88264305	8.965784285	8.965784285	15.35889154	13.1223427	15.62884421	15.48843643	8.965784285	12.56343464	8.965784285	10.14380482	9.604737206	14.70335948	1.056125181	0.136484078	0	0	0	0	0.689897083	0.136484078	0	1	0	1	1	black	black
met468	19508	1	15	10076	33.837002	205.159576	-623	"Hit 1 : N',P-Di-isopropyl-N-t-butylphosphonic diamide"	C10H25N2OP	 MF: 747	 RMF: 865	 Prob 41.4%	 CAS: 78301-00-5	 Lib: w9n11	 ID: 235494.	Hit 2 : 3-(Dimethylphenylsilyl)-2-methylpropionamide	C12H19NOSi	 MF: 746	 RMF: 858	 Prob 39.8%		 Lib: w9n11	 ID: 239955.	"Hit 3 : rel-(1S,3R,4S)-4-Acetoxy-6,8-dimethoxy-1,3-dimethylisochromane"	C15H20O5	 MF: 716	 RMF: 761	 Prob 11.1%		 Lib: w9n11	 ID: 409141.	2085	1046	2351	500	500	500	10159	4492	500	500	500	500	500	11.02583167	10.03066714	11.19905882	8.965784285	8.965784285	8.965784285	13.31047078	12.13314221	8.965784285	8.965784285	8.965784285	8.965784285	8.965784285	10.75185254	8.965784285	11.46979909	1.199209372	0.119922346	1	0	0	1	0.937405482	0.119922346	0	0	0	0	1	black	black
met469	60931	1	24	10091	33.887001	168.056747	-373	"Hit 1 : [9](2,4)quinolinophane"	C18H23N	 MF: 695	 RMF: 894	 Prob 47.9%		 Lib: w9n11	 ID: 333383.	Hit 2 : N-Methyl-3-(5-cyanoindol-3-yl)succinimide	C14H11N3O2	 MF: 676	 RMF: 842	 Prob 23.3%		 Lib: w9n11	 ID: 332501.	Hit 3 : 2-[2-(cyclopentylimino)-2-phenylethylidene]pyrrolidine fumarate	C21H26N2O4	 MF: 675	 RMF: 848	 Prob 22.4%		 Lib: w9n11	 ID: 626792.	58366	48569	47539	34842	39193	33220	50907	47221	53120	41436	46720	45378	56215	15.83284058	15.56774816	15.53682394	15.08853982	15.25830839	15.01976445	15.63557643	15.52714097	15.69696753	15.33859712	15.51175265	15.4697054	15.77866752	15.64580423	15.12220422	15.61989498	1.034624582	0.208477024	0	0	0	0	1.001658734	0.208477024	0	0	0	0	0	black	black
met470	19510	1	14	10113	33.961002	205.159561	-390	"Hit 1 : 2,2-Dichloro-1-phenylethanone oxime"	C8H7Cl2NO	 MF: 735	 RMF: 740	 Prob 74.3%		 Lib: w9n11	 ID: 188337.	"Hit 2 : N,N-Diethyl-3-phenylpropionamide"	C13H19NO	 MF: 696	 RMF: 701	 Prob 17.5%		 Lib: w9n11	 ID: 195731.	"Hit 3 : 6-(Methylamino)-1,2,3,4-tetrahydro-2-chloro-1,3-dimethyl-(1,3)-pyrimidine-2,4-dione"	C7H10ClN3O2	 MF: 660	 RMF: 870	 Prob 4.33%		 Lib: w9n11	 ID: 188276.	500	812	500	500	500	500	6635	3861	500	500	500	500	500	8.965784285	9.665335917	8.965784285	8.965784285	8.965784285	8.965784285	12.69588075	11.91475884	8.965784285	8.965784285	8.965784285	8.965784285	8.965784285	9.198968162	8.965784285	11.19214129	1.026008196	0.082880226	0	0	1	1	0.821913155	0.082880226	0	1	1	2	3	black	red
met471	61222	1	23	10119	33.980999	259.973236	-122	Hit 1 : 2-amino-3-aminocarbonyl-5-(p-methoxyphenyl)pyrazine 1-oxide	C12H12N4O3	 MF: 844	 RMF: 923	 Prob 77.2%	 CAS: 113120-68-6	 Lib: w9n11	 ID: 351161.	"Hit 2 : 4,5-Dihydro-4-(2-pyrrolyl)benzo[5,6]cycloocta[1,2-b]pyrrole"	C18H16N2	 MF: 806	 RMF: 908	 Prob 18.5%		 Lib: w9n11	 ID: 353677.	"Hit 3 : anthracene-9,10-bis(carbonitrile oxide)"	C16H8N2O2	 MF: 726	 RMF: 813	 Prob 2.03%	 CAS: 30862-16-9	 Lib: w9n11	 ID: 352912.	14743	14083	13080	9663	7515	10640	10526	11729	10746	12767	11302	11503	12066	13.8477425	13.78166707	13.67507492	13.23825545	12.87555739	13.37721053	13.36166968	13.5177924	13.39151212	13.64013194	13.46429047	13.48972255	13.55865987	13.7681615	13.16367446	13.42365807	1.045920844	0.06467017	0	0	1	1	1.025663901	0.06467017	0	0	1	1	2	black	black
met472	12498	1	19	10151	34.088001	171.117447	-797	"Hit 1 : (2R*,3R*,4R*)-4-Methyl-5-oxo-2-pentyltetrahydro-3-furancarboxylic acid ethyl ester"	C13H22O4	 MF: 466	 RMF: 788	 Prob 31.9%		 Lib: w9n11	 ID: 300774.	"Hit 2 : Hexyl 3,3,3-trichloro-2-dimethylpropanoate"	C11H19Cl3O2	 MF: 462	 RMF: 816	 Prob 26.9%		 Lib: w9n11	 ID: 430941.	"Hit 3 : 4A,5,8,8A?-TETRAHYDRO-2-METHOXY-4A?,8?-DIMETHYL-1,4-NAPHTHALINDIONE"	C13H16O3	 MF: 391	 RMF: 605	 Prob 3.83%	 CAS: 58822-91-6	 Lib: w9n11	 ID: 236489.	35395	38381	32598	500	500	500	12349	1036	5806	26352	31748	27655	27467	15.11125795	15.22810468	14.99249583	8.965784285	8.965784285	8.965784285	13.5921066	10.01680829	12.50332886	14.68562484	14.95437809	14.75525272	14.74541172	15.11061949	8.965784285	12.03741458	1.685365051	0.090235227	1	0	1	2	1.2553044	0.090235227	1	0	1	2	4	red	red
met473	36311	1	61	10199	34.249001	102.046059	540	"Hit 1 : Maleic anhydride, phenyl- (CAS)"	C10H6O3	 MF: 922	 RMF: 984	 Prob 95.8%	 CAS: 36122-35-7	 Lib: w9n11	 ID: 117514.	Hit 2 : Phenylmaleic anhydride	C10H6O3	 MF: 879	 RMF: 895	 Prob 95.8%	 CAS: 36122-35-7	 Lib: mainlib	 ID: 76176.	Hit 3 : Phenylmaleic anhydride	C10H6O3	 MF: 879	 RMF: 895	 Prob 95.8%	 CAS: 36122-35-7	 Lib: w9n11	 ID: 117511.	303485	263435	284191	250217	314640	217524	531743	365542	367330	157096	310079	271773	452138	18.21126569	18.00708751	18.11650134	17.93282029	18.26334257	17.73081506	19.02036961	18.47967765	18.4867172	17.26128692	18.2422763	18.05204261	18.78640365	18.11161818	17.9756593	18.66225482	1.007563499	0.07186678	0	0	1	1	0.970494635	0.07186678	0	0	1	1	2	black	black
met474	32703	1	37	10239	34.384003	73.046417	-1008	Hit 1 : O-TRIMETHYLSILYL THIOPROPINOATE	C6H14OSSi	 MF: 611	 RMF: 777	 Prob 37.3%	 CAS: 59410-19-4	 Lib: w9n11	 ID: 89577.	Hit 2 : 1-(Allyloxy)pentamethyldisilane	C8H20OSi2	 MF: 602	 RMF: 728	 Prob 27.1%	 CAS: 71821-60-8	 Lib: w9n11	 ID: 149428.	"Hit 3 : DIMETHYLESTER OF 5,6-BIS(TRIMETHYLSILYLOXY)BICYCLO(2.2.1)HEPTA-2,5-DIEN-2,3-DICARBOXYLIC ACID"	C17H28O6Si2	 MF: 572	 RMF: 751	 Prob 7.52%	 CAS: 70841-06-4	 Lib: w9n11	 ID: 650149.	53881	58755	46235	24623	24080	31578	38521	32798	33569	37935	35325	37985	36584	15.71748901	15.84242401	15.49669777	14.58771893	14.55554777	14.94663218	15.23335754	15.00132022	15.03484194	15.21124192	15.10840194	15.2131422	15.1589252	15.68553693	14.69663296	15.0898399	1.067287791	0.067765474	0	0	1	1	1.039476696	0.067765474	0	0	1	1	2	black	black
met475	55985	1	24	10244	34.400002	206.199341	-1051	"Hit 1 : 4-Methyl-2,3,6-triphenyl-1-phospha-2,5-nor-bornadiene - 1-sulfide"	C25H21PS	 MF: 536	 RMF: 635	 Prob 52.0%		 Lib: w9n11	 ID: 651842.	"Hit 2 : 6,7-dihydro-1,2-bis(methoxycarbonyl)-3-phenylcyclohepta[hi]pyrrolo[2,1,5-cd]indolizine"	C24H19NO4	 MF: 522	 RMF: 522	 Prob 32.6%	 CAS: 111259-18-8	 Lib: w9n11	 ID: 653200.	Hit 3 : 2-Benzylsulfanyl-N-benzoylmethyl-4-phenylimidazole	C24H20N2OS	 MF: 478	 RMF: 478	 Prob 7.06%		 Lib: w9n11	 ID: 651609.	2244	1722	2242	1354	1707	1962	4199	3723	4161	2247	1821	2047	500	11.13185696	10.74986943	11.13057056	10.40301202	10.73724734	10.93810933	12.03583007	11.8622499	12.02271457	11.13378441	10.83051521	10.99929539	8.965784285	11.00409898	10.69278956	11.97359818	1.029113957	0.06467017	0	0	1	1	0.919030254	0.06467017	0	0	1	1	2	black	black
met476	63013	1	28	10329	34.686001	73.046135	-1558	"Hit 1 : o-Hydroxynaphthylidene-4,5-dimethyl-o-phenylenediamine"	C19H18N2O	 MF: 476	 RMF: 697	 Prob 22.3%	 CAS: 58595-28-1	 Lib: w9n11	 ID: 438596.	"Hit 2 : o-Hydroxynaphthylidene-4,5-dimethyl-o-phenylenediamine"	C19H18N2O	 MF: 476	 RMF: 696	 Prob 22.3%	 CAS: 58595-28-1	 Lib: mainlib	 ID: 135720.	"Hit 3 : OXALATE, METHOXIM, TBS 2X, MAJOR PROD.TO OXAMATE+MET"		 MF: 471	 RMF: 658	 Prob 17.9%		 Lib: w9n11	 ID: 819697.	33533	42627	27868	18126	17365	21353	28452	24645	23967	33940	21068	30199	23950	15.03329394	15.3794799	14.76632185	14.14577297	14.08389479	14.38215116	14.79624245	14.58900736	14.54876171	15.05069894	14.36276574	14.88221316	14.54773804	15.05969856	14.20393964	14.64467051	1.060247998	0.06467017	0	0	1	1	1.02833987	0.06467017	0	0	1	1	2	black	black
met477	55187	1	64	10393	34.900002	153.090698	-388	"Hit 1 : 2-Amino-1-cyano-5-methyl-5-phenyl-1,3-cyclopentadiene"	C13H12N2	 MF: 805	 RMF: 927	 Prob 34.9%		 Lib: w9n11	 ID: 172640.	"Hit 2 : (2R,3R)-spiro[2,3-dimethyl-1,4-dioxolane-5,1'-3'-cyanocyclopentane]"	C10H15NO2	 MF: 792	 RMF: 963	 Prob 22.5%		 Lib: w9n11	 ID: 133672.	"Hit 3 : 3,6-Difluoroquinol-2(1H)-one"	C9H5F2NO	 MF: 789	 RMF: 961	 Prob 19.9%		 Lib: w9n11	 ID: 133159.	161314	129958	177227	188206	176081	218503	634117	613696	1010000	303132	335066	348045	298699	17.29951213	16.98768592	17.43523889	17.5219531	17.42587972	17.73729356	19.27438953	19.22716465	19.94592386	18.20958663	18.35408577	18.40891432	18.18833288	17.24081231	17.56170879	19.48249268	0.981727491	0.06467017	0	0	1	1	0.884938729	0.06467017	0	1	1	2	3	black	red
met478	14024	1	15	10418	34.984001	153.090393	-203	"Hit 1 : 2-N-(Dimethylamino)-5-cyanoamino[1,3,4]oxadiazole"	C5H7N5O	 MF: 718	 RMF: 928	 Prob 86.1%		 Lib: w9n11	 ID: 72559.	Hit 2 : 6-phenylsulfonyl-3-vinyloxonane	C16H22O3S	 MF: 596	 RMF: 908	 Prob 4.26%		 Lib: w9n11	 ID: 448293.	"Hit 3 : Benzenamine, 4-methyl-3-nitro- (CAS)"	C7H8N2O2	 MF: 595	 RMF: 755	 Prob 4.09%	 CAS: 119-32-4	 Lib: w9n11	 ID: 69462.	15094	500	10349	500	500	19507	500	500	500	500	500	231573	500	13.88168756	8.965784285	13.33720375	8.965784285	8.965784285	14.2517043	8.965784285	8.965784285	8.965784285	8.965784285	8.965784285	17.82110753	8.965784285	12.06155853	10.72775762	8.965784285	1.124331753	0.234101921	1	0	0	1	1.345287612	0.234101921	1	0	0	1	2	black	black
met479	63068	1	22	10479	35.188999	73.046036	-1647	"Hit 1 : rac-Tricarbonyl-[?(6)-1,3-dimethoxy-2-methyl-5-(trimethylsilyl)methylbenzene]chromium(0)"	C16H22CrO5Si	 MF: 528	 RMF: 812	 Prob 14.7%		 Lib: w9n11	 ID: 633465.	"Hit 2 : 3,4-Dihydro-4-(2-pyridyl)-5-[1-(trimethylsilyl)oxy]-1-propenyl]-2H-1,4-oxazine"	C15H22N2O2Si	 MF: 524	 RMF: 751	 Prob 12.4%		 Lib: w9n11	 ID: 437340.	"Hit 3 : 5-Hydroxytryptophan, 4TMS derivative"	C23H44N2O3Si4	 MF: 524	 RMF: 710	 Prob 12.4%	 CAS: 69937-47-9	 Lib: mainlib	 ID: 222507.	27788	32850	23325	13291	15744	20010	25461	20125	20441	24277	18023	23099	17918	14.76217438	15.00360575	14.50958946	13.69816204	13.94251451	14.28843355	14.63600146	14.29670116	14.31917816	14.56730253	14.13755155	14.49554278	14.12912199	14.75845653	13.97637003	14.41729359	1.05595777	0.06467017	0	0	1	1	1.023663452	0.06467017	0	0	1	1	2	black	black
met480	47757	1	29	10578	35.521	73.04583	-367	"Hit 1 : 1-[(2-dehydro)-5-methylcoumaran-3-on-2-yl]-1,2-diphenylethylene"	C23H17O2	 MF: 606	 RMF: 873	 Prob 74.9%	 CAS: 124474-99-3	 Lib: w9n11	 ID: 530612.	"Hit 2 : DIMETHYLESTER OF 5,6-BIS(TRIMETHYLSILYLOXY)BICYCLO(2.2.1)HEPTA-2,5-DIEN-2,3-DICARBOXYLIC ACID"	C17H28O6Si2	 MF: 502	 RMF: 726	 Prob 5.18%	 CAS: 70841-06-4	 Lib: w9n11	 ID: 650149.	Hit 3 : 1-Pentamethyldisilyloxyoctadecane	C23H52OSi2	 MF: 494	 RMF: 644	 Prob 3.86%		 Lib: mainlib	 ID: 134785.	36638	40715	26764	18085	13610	23470	19892	24160	19012	28673	23625	27855	23423	15.16105313	15.31327278	14.70800613	14.14250598	13.73237945	14.51853022	14.27990072	14.56033283	14.21462269	14.80740524	14.52802671	14.7656487	14.51563825	15.06077735	14.13113855	14.35161875	1.065786546	0.06467017	0	0	1	1	1.049413144	0.06467017	0	0	1	1	2	black	black
met481	63015	1	21	10648	35.756001	289.956268	-1296	"Hit 1 : (+-)-1,2,3,4,5,6,7,8-octamethylphenanthrene"	C22H26	 MF: 598	 RMF: 809	 Prob 29.1%	 CAS: 138488-67-2	 Lib: w9n11	 ID: 439283.	"Hit 2 : 2-carboxy-6,11-dimethylanthra[2,1-b]furan"	C19H14O3	 MF: 592	 RMF: 833	 Prob 22.9%	 CAS: 112447-49-1	 Lib: w9n11	 ID: 438541.	"Hit 3 : 6-[(Hydroxycarbonyl)methyl]-5-hydroxy-4-(hydroxymethyl)furo[3,2-g]coumarin"	C14H10O7	 MF: 571	 RMF: 784	 Prob 9.73%		 Lib: w9n11	 ID: 436717.	28630	26734	24636	15449	13411	16949	17772	18257	18731	22019	19052	20307	18640	14.80524005	14.70638809	14.58848041	13.91522584	13.7111292	14.04891254	14.11731843	14.1561621	14.1931403	14.42646133	14.21765483	14.3096895	14.18611424	14.70003619	13.89175586	14.15554028	1.058184173	0.06467017	0	0	1	1	1.038465216	0.06467017	0	0	1	1	2	black	black
met26	63368	0.99015	16	10666	35.815998	73.045517	-549	Hit 1 : Helichrysum mundii	C18H16O5	 MF: 675	 RMF: 773	 Prob 67.2%		 Lib: w9n11	 ID: 497025.	"Hit 2 : 2-Amino-2'-tert-butylthio-6-ethoxy[3,4']bipyridine-3,5-dicarbonitrile"	C18H19N5OS	 MF: 643	 RMF: 915	 Prob 17.9%		 Lib: w9n11	 ID: 593020.	"Hit 3 : Vanillylmandelic acid, 3TMS derivative"	C18H34O5Si3	 MF: 579	 RMF: 795	 Prob 2.94%	 CAS: 55268-66-1	 Lib: replib	 ID: 10229.	23400	30538	18177	10309	9790	12513	500	17124	500	21410	16784	17572	10726	14.51422091	14.89831796	14.14982649	13.33161677	13.25709314	13.6111401	8.965784285	14.06373212	8.965784285	14.38599718	14.03479896	14.10099078	13.38882454	14.52078845	13.39995001	10.66510023	1.083644972	0.066894347	0	0	1	1	1.361523862	0.066894347	1	0	1	2	3	black	red
met482	57542	1	10	10677	35.853001	219.137009	-117	"Hit 1 : 11,13-Dihydro-11?H-arbusculin B"	C15H22O2	 MF: 928	 RMF: 971	 Prob 18.4%		 Lib: w9n11	 ID: 278294.	Hit 2 : 1-methyl-6-(1-oxoethyl)-3-oxo-4-prop-2-ylidenecyclononene	C15H22O2	 MF: 910	 RMF: 952	 Prob 9.48%	 CAS: 125506-07-2	 Lib: w9n11	 ID: 278155.	Hit 3 : 5-Acetyl-6-formyl-7-acetoxymethylenecyclo[2.2.1]hept-2-ene	C13H14O4	 MF: 909	 RMF: 952	 Prob 9.11%		 Lib: w9n11	 ID: 277078.	24273	21855	13837	9087	12567	9029	14262	15003	12116	6382	10193	17527	10973	14.56706481	14.41567576	13.75624357	13.14958836	13.61735267	13.1403505	13.79988869	13.87296339	13.56462586	12.63979289	13.31529111	14.09729146	13.42167039	14.24632804	13.30243051	13.74582598	1.070956772	0.06467017	0	0	1	1	1.036411203	0.06467017	0	0	1	1	2	black	black
met483	52340	1	67	10701	35.934002	149.022751	103	"Hit 1 : 1,2-Benzenedicarboxylic acid, diethyl ester (CAS)"	C12H14O4	 MF: 896	 RMF: 927	 Prob 45.9%	 CAS: 84-66-2	 Lib: w9n11	 ID: 242266.	"Hit 2 : 1,2-Benzenedicarboxylic acid, diethyl ester (CAS)"	C12H14O4	 MF: 880	 RMF: 916	 Prob 45.9%	 CAS: 84-66-2	 Lib: w9n11	 ID: 242261.	Hit 3 : 3-(o-Azidophenyl)propanol	C9H11N3O	 MF: 878	 RMF: 964	 Prob 23.7%		 Lib: w9n11	 ID: 123332.	124597	85826	81496	134075	2830000	205817	410386	201571	127151	44108	1040000	863574	8310000	16.92690981	16.38912714	16.31444163	17.03268073	21.43237062	17.65100262	18.64662199	17.62092857	16.95618328	15.42875272	19.9881521	19.71996028	22.98641705	16.54349286	18.70535132	17.74124461	0.884425669	0.10659223	0	1	0	1	0.932487727	0.10659223	0	0	0	0	1	black	black
met484	53527	1	68	10714	35.977001	186.04892	200	"Hit 1 : Benzene, 1,1'-thiobis- (CAS)"	C12H10S	 MF: 890	 RMF: 899	 Prob 56.4%	 CAS: 139-66-2	 Lib: w9n11	 ID: 146854.	"Hit 2 : 1,4-dihydrodibenzothiophene"	C12H10S	 MF: 873	 RMF: 883	 Prob 30.8%	 CAS: 109644-16-8	 Lib: w9n11	 ID: 146857.	"Hit 3 : 3,4,5-Trimethyl-1-phenylpyrazole"	C12H14N2	 MF: 826	 RMF: 835	 Prob 6.43%	 CAS: 10252-57-0	 Lib: w9n11	 ID: 146892.	20651	18219	13903	19245	28225	25103	25538	28254	23566	14176	17407	14948	20696	14.33392402	14.15315615	13.7631086	14.23219605	14.78468596	14.61557217	14.64035792	14.78616751	14.52441928	13.79116289	14.08737996	13.86766485	14.33706434	14.08339626	14.54415139	14.6503149	0.968320246	0.06467017	0	0	1	1	0.961303313	0.06467017	0	0	1	1	2	black	black
met485	45538	1	10	10802	36.272999	135.081696	101	Hit 1 : 2-Ethoxy-2-phenylethanol	C10H14O2	 MF: 956	 RMF: 978	 Prob 17.9%		 Lib: w9n11	 ID: 99886.	"Hit 2 : 6-METHYL-TRIAZOLO[4,3-B]-1,2,4-TRIAZINE"	C5H5N5	 MF: 931	 RMF: 967	 Prob 5.46%	 CAS: 61139-69-3	 Lib: w9n11	 ID: 42120.	"Hit 3 : 2-(2,4,4-Trimethylpent-2-yl)phenol"	C14H22O	 MF: 931	 RMF: 966	 Prob 5.46%		 Lib: w9n11	 ID: 199014.	24526	30421	30550	20819	30315	24247	29865	29303	26250	18624	25384	26707	28045	14.58202434	14.89277996	14.89888476	14.34561315	14.8877442	14.56551864	14.8661681	14.83876075	14.6800298	14.18487534	14.63163181	14.70493031	14.77545596	14.79122969	14.59962533	14.79498622	1.013123923	0.066607529	0	0	1	1	0.999746094	0.066607529	0	0	1	1	2	black	black
met486	38299	1	84	10810	36.299	57.069759	-338	Hit 1 : Hexatriacontane (CAS)	C36H74	 MF: 870	 RMF: 895	 Prob 9.40%	 CAS: 630-06-8	 Lib: w9n11	 ID: 772628.	Hit 2 : Nonadecane	C19H40	 MF: 866	 RMF: 896	 Prob 7.94%	 CAS: 629-92-5	 Lib: replib	 ID: 6141.	Hit 3 : Nonadecane	C19H40	 MF: 866	 RMF: 896	 Prob 7.94%	 CAS: 629-92-5	 Lib: w9n11	 ID: 377286.	334279	271359	89589	101102	93275	621015	154014	133026	133679	73125	72052	92992	93698	18.3506932	18.04984323	16.45103398	16.62545201	16.50920283	19.24426859	17.23270197	17.02134872	17.02841332	16.1580771	16.13675086	16.50481899	16.51573063	17.61719014	17.45964115	17.09415467	1.00902361	0.626962386	0	0	0	0	1.030597329	0.626962386	0	0	0	0	0	black	black
met487	43277	1	29	10890	36.568001	125.131729	-752	"Hit 1 : Cyclohexane, 1,1,3,5-tetramethyl-, cis-"	C10H20	 MF: 728	 RMF: 820	 Prob 26.7%	 CAS: 50876-32-9	 Lib: w9n11	 ID: 51464.	"Hit 2 : Cyclohexane, 1,1,3,5-tetramethyl-, cis-"	C10H20	 MF: 728	 RMF: 820	 Prob 26.7%	 CAS: 50876-32-9	 Lib: mainlib	 ID: 36227.	"Hit 3 : Cyclohexane, 1,1,3,5-tetramethyl-, cis-"	C10H20	 MF: 723	 RMF: 758	 Prob 26.7%	 CAS: 50876-32-9	 Lib: replib	 ID: 20084.	40452	39962	37387	28291	30953	35151	99150	73964	102621	37933	42796	44153	41911	15.30392341	15.28634117	15.19024909	14.78805555	14.91779162	15.10127811	16.59732515	16.17453563	16.64696646	15.21116585	15.38518834	15.43022385	15.35504132	15.26017122	14.93570843	16.47294241	1.021723964	0.06467017	0	0	1	1	0.926377986	0.06467017	0	0	1	1	2	black	black
met488	63747	1	27	10942	36.742001	181.066406	-1101	"Hit 1 : N-[1-(5,6,7,8-Tetrahydronaphthyl)]-3,4,5-trimethoxybenzylamine"	C20H25NO3	 MF: 591	 RMF: 841	 Prob 23.1%		 Lib: w9n11	 ID: 535406.	"Hit 2 : (1S,2S,4S,5S)-2-(tert-Butyldimethylsilyloxymethyl)-5-(5-hydroxypent-1-ynyl)-1-azabicyclo[2.2.2]octan-5-ol"	C19H35NO3Si	 MF: 590	 RMF: 726	 Prob 22.2%		 Lib: w9n11	 ID: 593239.	"Hit 3 : 2,4,6.-tris(Trimethylsilyl)-3-methylphosphinine"	C15H31PSi3	 MF: 557	 RMF: 586	 Prob 5.80%		 Lib: w9n11	 ID: 531440.	13593	11020	10558	7676	8877	7299	7552	10644	10941	4511	7745	9390	10120	13.73057628	13.4278366	13.36604895	12.906139	13.11585648	12.83348311	12.88264305	13.3777528	13.41745699	12.13923157	12.91904952	13.19690944	13.30492167	13.50815394	12.95182619	13.22595094	1.042953614	0.06467017	0	0	1	1	1.021337067	0.06467017	0	0	1	1	2	black	black
met489	63018	1	12	10959	36.799	289.956512	-155	"Hit 1 : 1-n-Butyl-2,3-diphenyl-2-(2-propenyl)aziridine"	C21H25N	 MF: 858	 RMF: 912	 Prob 59.0%		 Lib: w9n11	 ID: 441191.	"Hit 2 : 1-methyl-[14-(13)C]-9,12-methanobenzo[h]pyridazino[1,2-b]phthalazine-7,14-dione"	C18H14N2O2	 MF: 833	 RMF: 885	 Prob 18.0%		 Lib: w9n11	 ID: 438330.	Hit 3 : 1-(3-Acetoxyamino-4-oxoquinazolin-2-yl)-2-phenyl-3-(1-acetoxyisobutyl)aziridine isomer	C24H27N3O3	 MF: 832	 RMF: 886	 Prob 17.3%		 Lib: w9n11	 ID: 683836.	6230	6022	4834	4106	3189	3677	4447	3814	4162	4256	4456	4536	5024	12.60501645	12.55602699	12.23900176	12.00351791	11.63888838	11.84431346	12.11861669	11.89708913	12.02306125	12.05528244	12.12153352	12.14720492	12.29462075	12.46668173	11.82890659	12.01292236	1.053916661	0.06467017	0	0	1	1	1.037772605	0.06467017	0	0	1	1	2	black	black
met490	65181	1	161	10993	36.912998	355.069061	-201	"Hit 1 : 2-[4'-(2""-Chlorophenyl)-2'-thiazolylamino]-4-oxo-5H-3,1-benzoxazine"	C17H10ClN3O2S	 MF: 826	 RMF: 883	 Prob 37.2%		 Lib: w9n11	 ID: 597134.	"Hit 2 : 3-[4'-(2""-Chlorophenyl)-2'-thiazolyl]-2,4-dioxo-1.2.3.4-tetrahydroquinazoline"	C17H10ClN3O2S	 MF: 826	 RMF: 883	 Prob 37.2%		 Lib: w9n11	 ID: 597136.	"Hit 3 : Methyl 5,7-bis(O-benzyl)-2,3-dideoxy-D-<xylo>-hept-2-enonate"	C22H28O6	 MF: 776	 RMF: 831	 Prob 7.56%		 Lib: w9n11	 ID: 658038.	1150000	1130000	922188	421701	454033	592567	1030000	862611	771799	707035	647694	864762	653096	20.13320243	20.10789134	19.81470137	18.68586092	18.79243763	19.17661876	19.97421291	19.71835059	19.55786565	19.43142211	19.30495285	19.7219436	19.31693555	20.01859838	18.88497244	19.75014305	1.060027937	0.06467017	0	0	1	1	1.013592577	0.06467017	0	0	1	1	2	black	black
met6	63049	0.860792	130	10998	36.93	355.148499	-234	"Hit 1 : 2-[4'-(2""-Chlorophenyl)-2'-thiazolylamino]-4-oxo-5H-3,1-benzoxazine"	C17H10ClN3O2S	 MF: 825	 RMF: 887	 Prob 38.7%		 Lib: w9n11	 ID: 597134.	"Hit 2 : 3-[4'-(2""-Chlorophenyl)-2'-thiazolyl]-2,4-dioxo-1.2.3.4-tetrahydroquinazoline"	C17H10ClN3O2S	 MF: 825	 RMF: 887	 Prob 38.7%		 Lib: w9n11	 ID: 597136.	"Hit 3 : Methyl 5,7-bis(O-benzyl)-2,3-dideoxy-D-<xylo>-hept-2-enonate"	C22H28O6	 MF: 799	 RMF: 860	 Prob 11.6%		 Lib: w9n11	 ID: 658038.	166093	194689	196549	500	500	195091	186968	201371	191515	185356	185543	186856	190241	17.34163175	17.57081185	17.5845295	8.965784285	8.965784285	17.5737877	17.51243185	17.61949641	17.54709787	17.49993929	17.50139405	17.51156736	17.53746868	17.49899103	11.83511876	17.55967537	1.478564887	0.152045761	1	0	0	1	0.996544108	0.152045761	0	0	0	0	1	black	black
met491	45539	1	24	11141	37.410004	135.081512	-101	Hit 1 : (Dimethylphenylsilyl)(pyridin-3-yl)(pyrrolidino)methane	C18H24N2Si	 MF: 889	 RMF: 988	 Prob 74.0%		 Lib: w9n11	 ID: 454849.	Hit 2 : 1-Adamantyl isocyanide	C11H15N	 MF: 837	 RMF: 855	 Prob 14.8%		 Lib: w9n11	 ID: 89100.	"Hit 3 : 1-Isopropyl-1,3-dihydro-2-benzofuran"	C11H14O	 MF: 818	 RMF: 835	 Prob 7.17%		 Lib: w9n11	 ID: 91442.	64759	56320	48692	36261	37135	36124	38538	34868	34331	26850	33552	35887	38406	15.98279309	15.78135971	15.57139714	15.14613109	15.18049196	15.14067003	15.23399408	15.08961599	15.06722426	14.71263447	15.03411115	15.1311737	15.22904409	15.77851665	15.15576436	15.13027811	1.041090127	0.06467017	0	0	1	1	1.042843795	0.06467017	0	0	1	1	2	black	black
met492	59356	1	32	11173	37.516998	191.178894	-1090	"Hit 1 : 1,4-benzenediol, 2,5-bis(3-methyl-2-buten-1-yl)-"	C16H22O2	 MF: 499	 RMF: 539	 Prob 30.4%		 Lib: mainlib	 ID: 178459.	"Hit 2 : 8-formyl-4-methyl-11-oxa-13-methylene-tetracyclo[8.3.0.0(4,9).0(5,8)]tridecan-12-one"	C15H18O3	 MF: 486	 RMF: 623	 Prob 19.6%	 CAS: 106267-65-6	 Lib: w9n11	 ID: 312663.	Hit 3 : Sigmosceptrellin-A	C25H42O4	 MF: 437	 RMF: 563	 Prob 4.02%	 CAS: 73436-35-8	 Lib: w9n11	 ID: 685427.	14253	15274	500	12968	31143	24685	34710	18926	15493	9622	8400	28107	11829	13.79897799	13.89879031	8.965784285	13.66266838	14.92662031	14.59134702	15.08306374	14.20808191	13.91932891	13.23212108	13.03617361	14.77864186	13.5300405	12.2211842	14.39354524	14.40349152	0.849073942	0.128795984	0	1	0	1	0.848487617	0.128795984	0	1	0	1	2	black	black
met493	32191	1	46	11183	37.551003	71.084999	-1421	"Hit 1 : Butane, 2,2-dimethyl-"	C6H14	 MF: 594	 RMF: 847	 Prob 13.1%	 CAS: 75-83-2	 Lib: w9n11	 ID: 5435.	"Hit 2 : Butane, 2,2-dimethyl-"	C6H14	 MF: 594	 RMF: 847	 Prob 13.1%	 CAS: 75-83-2	 Lib: mainlib	 ID: 7837.	"Hit 3 : Butane, 2,2-dimethyl-"	C6H14	 MF: 582	 RMF: 854	 Prob 13.1%	 CAS: 75-83-2	 Lib: w9n11	 ID: 5442.	26800	24302	20792	11950	17507	13661	29009	23892	23484	14821	11901	18354	13473	14.70994538	14.56878743	14.34374092	13.544723	14.09564426	13.73777547	14.82421294	14.54424001	14.51939054	13.85535517	13.53879518	14.16380689	13.71778351	14.54082458	13.79271425	14.62928116	1.054239529	0.06467017	0	0	1	1	0.993953456	0.06467017	0	0	1	1	2	black	black
met494	45540	1	28	11190	37.573997	135.083725	-1224	"Hit 1 : 1,2-Bis(4'methoxyphenyl)-4-methyl-4-nitropentan-1-one"	C20H23NO5	 MF: 644	 RMF: 863	 Prob 27.0%	 CAS: 89703-94-6	 Lib: w9n11	 ID: 601595.	Hit 2 : ?-IROL	C14H24O	 MF: 627	 RMF: 840	 Prob 14.7%		 Lib: w9n11	 ID: 205395.	Hit 3 : 2-iodo-3-dimethyl(phenyl)silylpropene	C11H15ISi	 MF: 625	 RMF: 925	 Prob 13.6%	 CAS: 119841-37-1	 Lib: w9n11	 ID: 469339.	39441	35265	28197	20522	21706	23571	25530	20985	24189	16407	20920	12940	20904	15.26740851	15.10594942	14.78325406	14.32488372	14.40580627	14.52472535	14.63990592	14.35707084	14.56206351	14.00202385	14.35259523	13.65955	14.35149141	15.052204	14.41847178	14.51968009	1.043952801	0.06467017	0	0	1	1	1.036676008	0.06467017	0	0	1	1	2	black	black
met495	56842	1	26	11206	37.627998	197.132202	-100	Hit 1 : 3-Phenyl-5-t-butylpyridazine	C14H16N2	 MF: 945	 RMF: 977	 Prob 18.2%		 Lib: w9n11	 ID: 216331.	"Hit 2 : 2-Isopropyl-4,6,8-trimethylazulene"	C16H20	 MF: 936	 RMF: 967	 Prob 13.2%		 Lib: w9n11	 ID: 216877.	"Hit 3 : 1,3-Dimethyl-2(2,4,6-trimethylphenyl)-1,3-cyclopentadiene"	C16H20	 MF: 934	 RMF: 966	 Prob 12.2%	 CAS: 84629-44-7	 Lib: w9n11	 ID: 216791.	28051	28782	15618	18265	30223	23356	69365	51366	43340	14530	13820	22000	24484	14.77576458	14.81287922	13.9309221	14.15679413	14.88335925	14.5115056	16.08192027	15.64852611	15.40341153	13.82674708	13.75447	14.4252159	14.57955165	14.50652197	14.51721966	15.71128597	0.999263103	0.068262346	0	0	1	1	0.923318562	0.068262346	0	0	1	1	2	black	black
met496	38381	1	144	11222	37.681999	127.111145	-122	Hit 1 : 8-Pentadecanone	C15H30O	 MF: 841	 RMF: 848	 Prob 81.5%	 CAS: 818-23-5	 Lib: replib	 ID: 6326.	Hit 2 : 8-Pentadecanone	C15H30O	 MF: 841	 RMF: 848	 Prob 81.5%	 CAS: 818-23-5	 Lib: w9n11	 ID: 256844.	Hit 3 : 8-Pentadecanone	C15H30O	 MF: 831	 RMF: 840	 Prob 81.5%	 CAS: 818-23-5	 Lib: replib	 ID: 6060.	2970000	2340000	1270000	846672	979672	851304	6780000	5070000	6900000	500	500	500	500	21.5020315	21.1580771	20.27639707	19.69144365	19.90193928	19.69931488	22.69285384	22.27355432	22.71816493	8.965784285	8.965784285	8.965784285	8.965784285	20.97883522	19.76423261	22.56152436	1.06145458	0.06467017	0	0	1	1	0.929850079	0.06467017	0	0	1	1	2	black	black
met497	58589	1	67	11224	37.688	57.098801	-426	Hit 1 : 3-Chloro-4-t-butyl-6-phenylpyridazine	C14H15ClN2	 MF: 754	 RMF: 845	 Prob 37.8%		 Lib: w9n11	 ID: 312273.	Hit 2 : 2-Bromo-3-(methoxymethoxy)-6-methylpyridine	C8H10BrNO2	 MF: 745	 RMF: 881	 Prob 27.4%		 Lib: w9n11	 ID: 268043.	Hit 3 : 4-Chloro-5-pentyl-4-decen-3-ol	C15H29ClO	 MF: 741	 RMF: 857	 Prob 23.2%		 Lib: w9n11	 ID: 352900.	500	500	165072	500	162043	140801	500	500	500	500	500	500	500	8.965784285	8.965784285	17.3327359	8.965784285	17.30601717	17.10329805	8.965784285	8.965784285	8.965784285	8.965784285	8.965784285	8.965784285	8.965784285	11.75476816	14.4583665	8.965784285	0.813008036	0.196806277	0	1	0	1	1.311069705	0.196806277	1	0	0	1	2	black	black
met498	55297	1	71	11245	37.759003	197.132492	-752	Hit 1 : 3-Phenyl-5-t-butylpyridazine	C14H16N2	 MF: 723	 RMF: 944	 Prob 16.6%		 Lib: w9n11	 ID: 216331.	"Hit 2 : 2-Isopropyl-4,6,8-trimethylazulene"	C16H20	 MF: 721	 RMF: 941	 Prob 15.3%		 Lib: w9n11	 ID: 216877.	"Hit 3 : 1,3-Dimethyl-2(2,4,6-trimethylphenyl)-1,3-cyclopentadiene"	C16H20	 MF: 720	 RMF: 939	 Prob 14.7%	 CAS: 84629-44-7	 Lib: w9n11	 ID: 216791.	43317	46443	26793	32824	47423	38414	107223	80230	67982	16155	17825	27167	30220	15.40264571	15.50317355	14.70956851	15.00246344	15.53329931	15.22934458	16.71025488	16.29185418	16.05286519	13.97969313	14.12161446	14.72956764	14.88321604	15.20512925	15.25503578	16.35165808	0.996728522	0.119478036	0	0	0	0	0.929883023	0.119478036	0	0	0	0	0	black	black
met499	64260	1	44	11295	37.927002	326.965912	-122	Hit 1 : n-Hexadecyloxy(triethyl)silane	C22H48OSi	 MF: 910	 RMF: 917	 Prob 31.9%		 Lib: w9n11	 ID: 600476.	"Hit 2 : 1'-Deoxy-1'-(phenylsulfonyl)methylene]-2',3'-isopropylidene-?-D-ribofuranose"	C15H20O6S	 MF: 894	 RMF: 901	 Prob 18.4%		 Lib: w9n11	 ID: 536266.	"Hit 3 : 10-(tert-Butyldiphenylsilyl)-2,4-dodecadiene-7,9-diyn-6-ol"	C26H28OSi	 MF: 886	 RMF: 955	 Prob 13.7%		 Lib: w9n11	 ID: 651950.	13150	12674	13440	9335	5508	9076	11106	9596	11335	9062	8277	13745	8242	13.68277518	13.6295843	13.71424552	13.18843431	12.42731284	13.14784089	13.43905168	13.22821744	13.46849677	13.14561378	13.01489224	13.74661929	13.00877875	13.675535	12.92119601	13.37858863	1.058379966	0.06467017	0	0	1	1	1.022195642	0.06467017	0	0	1	1	2	black	black
met500	50571	1	23	11308	37.969997	121.065674	-591	Hit 1 : 7-Butyl-7-octen-5-yne	C12H20	 MF: 776	 RMF: 972	 Prob 26.1%		 Lib: w9n11	 ID: 96029.	"Hit 2 : 10-Cyano-4,9-dioxadeca-1,6-diyne"	C9H9NO2	 MF: 762	 RMF: 968	 Prob 16.3%		 Lib: w9n11	 ID: 92369.	Hit 3 : NONYLPHENOL ISOMER	C15H24O	 MF: 744	 RMF: 777	 Prob 8.42%	 CAS: 25154-52-3	 Lib: w9n11	 ID: 237836.	134683	128001	105169	76799	82433	79462	71086	76850	77691	59263	70848	67719	79764	17.03920824	16.96579556	16.68234999	16.22879991	16.33093438	16.27797749	16.11727784	16.22975764	16.24545986	15.85484404	16.11243951	16.04727305	16.28345014	16.89578459	16.27923726	16.19749845	1.037873232	0.06467017	0	0	1	1	1.04311074	0.06467017	0	0	1	1	2	black	black
met501	14409	1	120	11324	38.023998	69.069229	-1032	Hit 1 : 2-Methyl-Z-4-tetradecene	C15H30	 MF: 687	 RMF: 713	 Prob 7.03%		 Lib: mainlib	 ID: 7783.	Hit 2 : 2-Methyl-Z-4-tetradecene	C15H30	 MF: 687	 RMF: 713	 Prob 7.03%		 Lib: w9n11	 ID: 211174.	Hit 3 : 4-Heptafluorobutyroxypentadecane	C19H31F7O2	 MF: 684	 RMF: 735	 Prob 6.21%		 Lib: mainlib	 ID: 19029.	18250	9631	13870	500	500	500	689393	797714	657118	500	500	500	500	14.15560884	13.23346989	13.75968017	8.965784285	8.965784285	8.965784285	19.39496712	19.60551207	19.32579294	8.965784285	8.965784285	8.965784285	8.965784285	13.71625297	8.965784285	19.44209071	1.529844187	0.06467017	1	0	1	2	0.705492695	0.06467017	0	1	1	2	4	red	red
met502	45531	1	83	11353	38.120998	135.081024	-402	Hit 1 : 4-Azido-phenol	C6H5N3O	 MF: 789	 RMF: 934	 Prob 29.6%		 Lib: w9n11	 ID: 42182.	Hit 2 : OCTYL PHENOL ISOMER	C14H22O	 MF: 756	 RMF: 927	 Prob 7.73%	 CAS: 1806-26-4	 Lib: w9n11	 ID: 199017.	"Hit 3 : Phenol, 4-(1,1,3,3-tetramethylbutyl)- (CAS)"	C14H22O	 MF: 752	 RMF: 955	 Prob 6.53%	 CAS: 140-66-9	 Lib: w9n11	 ID: 199055.	549909	450829	376915	246201	257407	243287	268422	289311	270753	182182	227289	210011	274746	19.06883337	18.7822208	18.52387969	17.9094771	17.97369176	17.89229971	18.03414339	18.14226165	18.0466178	17.4750209	17.79416834	17.68010537	18.06773895	18.79164462	17.92515619	18.07434095	1.04833924	0.06467017	0	0	1	1	1.039686297	0.06467017	0	0	1	1	2	black	black
met503	63798	1	52	11359	38.140999	71.159279	-1618	Hit 1 : SF 96-50	C12H36O4Si5	 MF: 463	 RMF: 704	 Prob 26.0%		 Lib: w9n11	 ID: 649884.	Hit 2 : 4-(epi)-Hydroxy-Crebanine	C20H21NO5	 MF: 462	 RMF: 549	 Prob 24.9%		 Lib: w9n11	 ID: 597621.	Hit 3 : bis[(Dimethoxyvinyl)silyloxy]-(methoxyvinyl)silane	C11H24O7Si3	 MF: 444	 RMF: 623	 Prob 12.9%		 Lib: w9n11	 ID: 589913.	144257	500	93728	72601	500	500	500	500	138562	101953	159798	534	500	17.1382818	8.965784285	16.51619248	16.1477018	8.965784285	8.965784285	8.965784285	8.965784285	17.08017213	16.6375447	17.28588983	9.060695932	8.965784285	14.20675285	11.35975679	11.67058023	1.250621216	0.379092402	1	0	0	1	1.217313327	0.379092402	1	0	0	1	2	black	black
met504	53384	1	134	11359	38.140999	57.069424	-134	Hit 1 : Heneicosane	C21H44	 MF: 901	 RMF: 902	 Prob 12.2%	 CAS: 629-94-7	 Lib: replib	 ID: 6150.	Hit 2 : Heneicosane	C21H44	 MF: 901	 RMF: 902	 Prob 12.2%	 CAS: 629-94-7	 Lib: w9n11	 ID: 455759.	Hit 3 : Heptadecane	C17H36	 MF: 898	 RMF: 900	 Prob 10.8%	 CAS: 629-78-7	 Lib: replib	 ID: 6088.	3240000	3240000	1460000	1100000	2900000	4330000	4970000	5620000	3450000	1580000	3280000	2970000	3750000	21.62756238	21.62756238	20.47753694	20.06907209	21.46762147	22.04593559	22.24481442	22.4221387	21.71816493	20.59149313	21.64526438	21.5020315	21.83845916	21.24422057	21.19420972	22.12837268	1.002359647	0.630182034	0	0	0	0	0.960044413	0.630182034	0	0	0	0	0	black	black
met505	64261	1	32	11373	38.188	326.966309	120	Hit 1 : n-Hexadecyloxy(triethyl)silane	C22H48OSi	 MF: 894	 RMF: 904	 Prob 39.3%		 Lib: w9n11	 ID: 600476.	"Hit 2 : 1'-Deoxy-1'-(phenylsulfonyl)methylene]-2',3'-isopropylidene-?-D-ribofuranose"	C15H20O6S	 MF: 893	 RMF: 903	 Prob 37.8%		 Lib: w9n11	 ID: 536266.	Hit 3 : 2-[(E)-(Methylthio)(1'-oxoacenaphthen-2'-yl)methylamino]-acetate	C18H17NO3S	 MF: 849	 RMF: 858	 Prob 8.19%		 Lib: w9n11	 ID: 534703.	15301	18909	13668	8934	7336	11278	13075	12625	13958	12984	11026	17570	11067	13.90133832	14.20678545	13.73851453	13.12509054	12.84077792	13.46122363	13.67452333	13.62399577	13.76880462	13.66444728	13.42862189	14.10082657	13.43397657	13.94887943	13.14236403	13.6891079	1.061367605	0.06467017	0	0	1	1	1.018976513	0.06467017	0	0	1	1	2	black	black
met506	45541	1	43	11396	38.264999	135.080765	-117	Hit 1 : 1-(4-Methoxyphenyl)-3-methylazetidin-2-one	C11H13NO2	 MF: 865	 RMF: 944	 Prob 39.6%	 CAS: 127756-65-4	 Lib: w9n11	 ID: 157445.	"Hit 2 : Phenol, 4-nonyl- (CAS)"	C15H24O	 MF: 847	 RMF: 874	 Prob 20.4%	 CAS: 104-40-5	 Lib: w9n11	 ID: 237823.	Hit 3 : 2-Nonylphenol	C15H24O	 MF: 847	 RMF: 872	 Prob 20.4%	 CAS: 136-83-4	 Lib: w9n11	 ID: 238126.	221736	194774	175540	117512	120006	117199	123017	129801	120390	81773	113040	98985	128897	17.75848349	17.57144158	17.42144029	16.84244856	16.87274701	16.83860073	16.90849817	16.98594197	16.87735604	16.31933695	16.78647385	16.5949223	16.97585916	17.58378845	16.85126544	16.92393206	1.043469911	0.06467017	0	0	1	1	1.038989544	0.06467017	0	0	1	1	2	black	black
met507	63758	1	55	11426	38.365997	197.132065	-161	"Hit 1 : 4-(o-Methylphenyl)-2,6-diphenylpyridine"	C24H19N	 MF: 836	 RMF: 939	 Prob 50.8%		 Lib: w9n11	 ID: 521103.	Hit 2 : 2-(p-Biphenylyl)-4-methyl-3-phenylpyridine	C24H19N	 MF: 825	 RMF: 928	 Prob 34.9%		 Lib: w9n11	 ID: 521091.	"Hit 3 : 4-Benzoyl-3,5-dimethyl-1-(p-nitrophenyl)pyrazole"	C18H15N3O3	 MF: 793	 RMF: 895	 Prob 9.31%		 Lib: w9n11	 ID: 520301.	36720	38534	26326	25826	39517	32200	77111	58743	50308	20210	20287	33005	33605	15.16427844	15.23384433	14.68420071	14.65653659	15.27018581	14.97477307	16.23464906	15.84212933	15.61850022	14.3027817	14.30826792	15.01039698	15.03638828	15.02744116	14.96716516	15.8984262	1.004027216	0.066579461	0	0	1	1	0.945215644	0.066579461	0	0	1	1	2	black	black
met508	45532	1	79	11430	38.380001	135.080627	-278	Hit 1 : NONYLPHENOL ISOMER	C15H24O	 MF: 838	 RMF: 892	 Prob 67.9%	 CAS: 25154-52-3	 Lib: w9n11	 ID: 237837.	"Hit 2 : Phenol, nonyl- (CAS)"	C15H24O	 MF: 812	 RMF: 874	 Prob 67.9%	 CAS: 25154-52-3	 Lib: w9n11	 ID: 237832.	"Hit 3 : Phenol, 4-nonyl- (CAS)"	C15H24O	 MF: 802	 RMF: 897	 Prob 16.8%	 CAS: 104-40-5	 Lib: w9n11	 ID: 237824.	406985	328401	279181	189679	187507	181906	186374	196464	188366	124556	171147	154185	197978	18.6346161	18.32509899	18.09084123	17.53320044	17.51658493	17.4728336	17.50784109	17.58390545	17.52317906	16.92643499	17.38487648	17.23430289	17.5949806	18.35018544	17.50753966	17.53830853	1.048130451	0.06467017	0	0	1	1	1.046291631	0.06467017	0	0	1	1	2	black	black
met509	49622	1	43	11451	38.450001	155.084808	-100	"Hit 1 : 1-Isopropyl-4,6,8-trimethylazulene"	C16H20	 MF: 946	 RMF: 976	 Prob 34.2%		 Lib: w9n11	 ID: 216876.	"Hit 2 : 9a-methyl-1,2,3,4-tetrahydroanthracen-9(9aH)-one"	C15H16O	 MF: 943	 RMF: 973	 Prob 30.2%	 CAS: 107866-17-1	 Lib: w9n11	 ID: 216604.	Hit 3 : 5-(1'-Ethyl-3'-indolyl)oxazole	C13H12N2O	 MF: 916	 RMF: 946	 Prob 8.89%		 Lib: w9n11	 ID: 215649.	37030	41800	24583	24163	32012	22992	90508	64151	49548	12475	19332	26611	27376	15.17640693	15.35121532	14.58537337	14.56051197	14.96632519	14.48884435	16.4657577	15.96918413	15.5965392	13.6067522	14.23870328	14.69973511	14.74062404	15.03766521	14.67189384	16.01049368	1.024930072	0.070715784	0	0	1	1	0.939238071	0.070715784	0	0	1	1	2	black	black
met9	55300	0.888293	59	11461	38.484001	197.132111	120	Hit 1 : 1-(4'-Methylphenyl)-1-phenylethanol	C15H16O	 MF: 965	 RMF: 982	 Prob 37.7%		 Lib: w9n11	 ID: 216720.	"Hit 2 : 4,4,4',4'-Tetramethyl[bi-2,5-cyclohexadien-1-ylidene]"	C16H20	 MF: 965	 RMF: 982	 Prob 37.7%	 CAS: 81478-74-2	 Lib: w9n11	 ID: 216793.	"Hit 3 : 3,4-Dimethyl-1-(phenylethynyl)phosphole"	C14H13P	 MF: 940	 RMF: 956	 Prob 11.5%		 Lib: w9n11	 ID: 216273.	58571	63759	42776	43842	59735	44942	142838	106537	93828	26422	31456	42803	48685	15.83789891	15.96034138	15.38451396	15.42002599	15.86628886	15.45577671	17.12402031	16.70099504	16.51773089	14.68945205	14.94104761	15.3854243	15.57118972	15.72758475	15.58069719	16.78091541	1.009427535	0.070715784	0	0	1	1	0.937230441	0.070715784	0	0	1	1	2	black	black
met510	45533	1	59	11474	38.527	135.080841	-521	"Hit 1 : 6-Acetoxyfuro[3,2-b]pyridine"	C9H7NO3	 MF: 733	 RMF: 955	 Prob 48.8%		 Lib: w9n11	 ID: 123284.	"Hit 2 : 7-Acetoxyfuro[3,2-c]pyridine"	C9H7NO3	 MF: 691	 RMF: 934	 Prob 11.0%		 Lib: w9n11	 ID: 123281.	"Hit 3 : 1-(3,3-dimethylbutenyl)-2-formyl-1-cyclohexene"	C13H20O	 MF: 691	 RMF: 931	 Prob 11.0%	 CAS: 114048-86-1	 Lib: w9n11	 ID: 161228.	246030	205687	194796	136330	129327	133745	136862	130244	134895	95343	124421	109124	146986	17.90847472	17.65009109	17.57160453	17.05674354	16.98066398	17.02912543	17.06236241	16.99085739	17.04147735	16.5408394	16.92487048	16.73560891	17.16531922	17.71005678	17.02217765	17.03156572	1.04041076	0.06467017	0	0	1	1	1.039837269	0.06467017	0	0	1	1	2	black	black
met511	611	1	26	11475	38.531002	57.069592	-1230	"Hit 1 : Hexane, 3-methyl- (CAS)"	C7H16	 MF: 563	 RMF: 896	 Prob 30.1%	 CAS: 589-34-4	 Lib: w9n11	 ID: 11316.	Hit 2 : 2-Ethylhexyl ester of butanoic acid	C12H24O2	 MF: 556	 RMF: 870	 Prob 23.1%	 CAS: 25415-84-3	 Lib: w9n11	 ID: 182258.	"Hit 3 : Hexane, 3-methyl-"	C7H16	 MF: 555	 RMF: 884	 Prob 30.1%	 CAS: 589-34-4	 Lib: replib	 ID: 1890.	10227	500	4248	99742	5942	7386	8080	12080	500	500	500	500	500	13.32009538	8.965784285	12.05256805	16.60591351	12.53673289	12.85057755	12.98013958	13.56033283	8.965784285	8.965784285	8.965784285	8.965784285	8.965784285	11.44614924	13.99774132	11.8354189	0.817714014	0.481039802	0	1	0	1	0.967109769	0.481039802	0	0	0	0	1	black	black
met512	53885	1	32	11499	38.611	189.128769	-105	"Hit 1 : 6-Methoxy-5,8-isoquinolinedione"	C10H7NO3	 MF: 859	 RMF: 928	 Prob 69.2%		 Lib: w9n11	 ID: 152512.	"Hit 2 : 1,5,6,10b-Tetrahydro-2H-isoquino[2,1-b]oxazol-2-one"	C11H11NO2	 MF: 775	 RMF: 944	 Prob 6.50%		 Lib: w9n11	 ID: 152853.	"Hit 3 : 7-Methoxy-5,8-isoquinolinedione"	C10H7NO3	 MF: 771	 RMF: 832	 Prob 5.49%		 Lib: w9n11	 ID: 152513.	35958	46625	43497	30025	29398	28500	29828	34448	31274	24424	28373	26287	34736	15.13402516	15.5088161	15.40862828	14.87387663	14.84343039	14.7986743	14.86437963	15.0721326	14.93267613	14.57601187	14.79223108	14.68206188	15.08414401	15.35048985	14.83866044	14.95639612	1.034492966	0.07212266	0	0	1	1	1.026349511	0.07212266	0	0	1	1	2	black	black
met513	33537	1	57	11507	38.638	141.902359	226	Hit 1 : Hexathiepane	CH2S6	 MF: 867	 RMF: 896	 Prob 87.8%	 CAS: 17233-71-5	 Lib: mainlib	 ID: 129879.	Hit 2 : Hexathiepane	CH2S6	 MF: 867	 RMF: 896	 Prob 87.8%	 CAS: 17233-71-5	 Lib: w9n11	 ID: 195953.	Hit 3 : Hexathiepane (CAS)	CH2S6	 MF: 808	 RMF: 841	 Prob 87.8%	 CAS: 17233-71-5	 Lib: w9n11	 ID: 195954.	101235	116948	160515	131571	12713	41976	729628	198706	1190000	29902	1222	24494	716	16.62734863	16.83550766	17.2923486	17.00548201	13.6340169	15.35727707	19.47680157	17.60027591	20.18253014	14.86795436	10.25502857	14.58014077	9.483815777	16.91840163	15.33225866	19.08653587	1.103451357	0.06467017	1	0	1	2	0.886405042	0.06467017	0	1	1	2	4	red	red
met514	39576	1	43	11511	38.651001	107.049316	-157	Hit 1 : 3-(o-Azidophenyl)propanol	C9H11N3O	 MF: 868	 RMF: 951	 Prob 33.8%		 Lib: w9n11	 ID: 123332.	"Hit 2 : Ethyl {(4S,5R)-4-[5-(tert-Butyldiphenylsiloxy)-4-methylpentyl]-4-methyl-3,8-dioxabicyclo[3.2.1]octan-1-yl}acetate"	C33H48O5Si	 MF: 856	 RMF: 966	 Prob 22.5%		 Lib: w9n11	 ID: 788956.	"Hit 3 : 5.6.7.8-Tetrahydro-4H-thieno[3,2-b]indole"	C10H11NS	 MF: 844	 RMF: 920	 Prob 15.0%	 CAS: 88537-34-2	 Lib: w9n11	 ID: 123706.	267422	237088	202686	139883	127781	127405	128782	147787	139068	104195	130656	108763	152943	18.02875863	17.85506312	17.62888692	17.09386112	16.96331381	16.95906237	16.97457143	17.17315984	17.08543096	16.66892652	16.99541385	16.73082833	17.22263455	17.83756956	17.00541243	17.07772075	1.048934839	0.06467017	0	0	1	1	1.044493573	0.06467017	0	0	1	1	2	black	black
met515	63997	1	45	11541	38.752003	319.940247	-1589	"Hit 1 : (5R,11R)-2,8-Dimethoxy-5,11-dimethyl-5,6,11,12-tetrahydrochrysene"	C22H24O2	 MF: 561	 RMF: 826	 Prob 16.3%		 Lib: w9n11	 ID: 519248.	"Hit 2 : (1S*,8R*,9S*,12R*)-3,6-Dimethoxy-10-methyl-11-phenyl-13-oxatetracyclo[6.4.1.0(2,7).0(9,12)]trideca-2,4,6,10-tetraene"	C21H20O3	 MF: 557	 RMF: 820	 Prob 13.8%		 Lib: w9n11	 ID: 518956.	"Hit 3 : 2,8-Dimethoxy-5,11-trans-dimethyl-5,6,11,12-tetrahydrochrysene"	C22H24O2	 MF: 554	 RMF: 813	 Prob 12.2%	 CAS: 138090-02-5	 Lib: w9n11	 ID: 519215.	13927	14138	11112	9617	6148	8138	9646	9444	11026	9334	9173	9742	9420	13.7655969	13.78729043	13.43983088	13.2313712	12.58590145	12.99045857	13.23571509	13.20518233	13.42862189	13.18827975	13.16317792	13.25000227	13.20151134	13.6642394	12.93591041	13.28983977	1.056302879	0.06467017	0	0	1	1	1.02817187	0.06467017	0	0	1	1	2	black	black
met516	45534	1	57	11553	38.792	135.080765	-334	Hit 1 : NONYLPHENOL ISOMER	C15H24O	 MF: 826	 RMF: 888	 Prob 38.3%	 CAS: 25154-52-3	 Lib: w9n11	 ID: 237837.	Hit 2 : NONYLPHENOL ISOMER	C15H24O	 MF: 817	 RMF: 899	 Prob 38.3%	 CAS: 25154-52-3	 Lib: w9n11	 ID: 237838.	"Hit 3 : Phenol, 4-nonyl- (CAS)"	C15H24O	 MF: 799	 RMF: 871	 Prob 11.3%	 CAS: 104-40-5	 Lib: w9n11	 ID: 237824.	944014	793105	672417	403644	395469	389715	379916	417118	398866	243476	369063	314158	449293	19.84844873	19.59715235	19.35899667	18.62272392	18.59320508	18.57205994	18.53532095	18.67009604	18.60554463	17.89342004	18.49350758	18.26113079	18.77729706	19.60153259	18.59599631	18.60365387	1.054072729	0.06467017	0	0	1	1	1.053638856	0.06467017	0	0	1	1	2	black	black
met517	18813	1	49	11565	38.832001	104.061089	-236	"Hit 1 : tricyclo[7.4.1.1(3,8)]pentadeca-3,5,7,9,11,13(1)-hexaene-2-ol"	C15H14O	 MF: 617	 RMF: 851	 Prob 84.0%	 CAS: 104739-73-3	 Lib: w9n11	 ID: 210981.	"Hit 2 : 1,1'-Biphenyl, 3,3',4,4'-tetramethyl-"	C16H18	 MF: 462	 RMF: 601	 Prob 2.18%	 CAS: 4920-95-0	 Lib: replib	 ID: 29300.	"Hit 3 : 1,1'-Biphenyl, 3,3',4,4'-tetramethyl-"	C16H18	 MF: 462	 RMF: 601	 Prob 2.18%	 CAS: 4920-95-0	 Lib: w9n11	 ID: 211186.	28656	29975	22076	19307	26580	23633	27682	30966	36748	18274	15879	28605	33674	14.80654962	14.87147213	14.43019117	14.23683639	14.69805348	14.52851516	14.75666056	14.91839742	15.16537811	14.15750484	13.95483244	14.80397972	15.03934748	14.70273764	14.48780168	14.94681203	1.014835651	0.078020236	0	0	1	1	0.983670472	0.078020236	0	0	1	1	2	black	black
met518	48365	1	39	11582	38.889999	149.096756	-402	"Hit 1 : Phenol, nonyl- (CAS)"	C15H24O	 MF: 784	 RMF: 916	 Prob 44.9%	 CAS: 25154-52-3	 Lib: w9n11	 ID: 237834.	"Hit 2 : Phenol, nonyl- (CAS)"	C15H24O	 MF: 782	 RMF: 824	 Prob 44.9%	 CAS: 25154-52-3	 Lib: w9n11	 ID: 237830.	Hit 3 : NONYLPHENOL ISOMER	C15H24O	 MF: 782	 RMF: 824	 Prob 44.9%	 CAS: 25154-52-3	 Lib: w9n11	 ID: 237835.	385221	332699	266182	183047	191021	185241	174525	188405	184701	134299	178430	158047	197248	18.55532683	18.343858	18.02205349	17.4818546	17.54337172	17.49904392	17.41307419	17.52347773	17.49483215	17.03508904	17.44499867	17.26999413	17.58965115	18.30707944	17.50809008	17.47712802	1.045635438	0.06467017	0	0	1	1	1.047487861	0.06467017	0	0	1	1	2	black	black
met519	30108	1	111	11583	38.893002	73.031326	-166	Hit 1 : Tetradecanoic acid	C14H28O2	 MF: 808	 RMF: 856	 Prob 72.2%	 CAS: 544-63-8	 Lib: replib	 ID: 9639.	Hit 2 : Tetradecanoic acid	C14H28O2	 MF: 804	 RMF: 835	 Prob 72.2%	 CAS: 544-63-8	 Lib: replib	 ID: 9631.	Hit 3 : Tetradecanoic acid	C14H28O2	 MF: 804	 RMF: 835	 Prob 72.2%	 CAS: 544-63-8	 Lib: w9n11	 ID: 261749.	119591	236800	9656	179109	642039	122328	180802	41010	104922	59886	172917	256593	69258	16.8677493	17.85330956	13.23720996	17.45047831	19.29230141	16.90039514	17.46405111	15.32368812	16.67895769	15.86993115	17.39972019	17.96912229	16.07969311	15.9860896	17.88105829	16.48889897	0.894023684	0.182711351	0	1	0	1	0.969506189	0.182711351	0	0	0	0	1	black	black
met520	57481	1	90	11592	38.922997	219.137619	-134	Hit 1 : 2-tert-Butyl-1-methyl-5-trifluoroacetylimidazole	C10H13F3N2O	 MF: 902	 RMF: 908	 Prob 19.8%		 Lib: w9n11	 ID: 276017.	"Hit 2 : 12,17-epoxy-13,14,15,16-tetranorlabd-8(17)-ene"	C16H26O	 MF: 891	 RMF: 896	 Prob 13.6%		 Lib: w9n11	 ID: 278878.	"Hit 3 : 2,4-Dioxo-3-methyl-6-isopropylpyrimido[2,3-b]-[1,4]pyrazine"	C11H14N4O2	 MF: 884	 RMF: 889	 Prob 10.4%		 Lib: w9n11	 ID: 276350.	305538	299958	213039	254721	294330	214299	485255	389167	611166	323584	542122	516613	466558	18.22099229	18.19440098	17.70075804	17.95855838	18.16707507	17.70926559	18.88838355	18.57002985	19.22120476	18.30378075	19.04825803	18.97872442	18.83169691	18.0387171	17.94496635	18.89320606	1.005224348	0.133216751	0	0	0	0	0.954772687	0.133216751	0	0	0	0	0	black	black
met521	55899	1	42	11611	38.987	205.125763	-483	Hit 1 : Triethyl[2-(phenyl)propyl]silane	C15H26Si	 MF: 610	 RMF: 777	 Prob 72.7%		 Lib: w9n11	 ID: 278674.	"Hit 2 : 5,7-dimethoxy-2-methylindan-1-one"	C12H14O3	 MF: 523	 RMF: 582	 Prob 6.41%	 CAS: 61227-52-9	 Lib: w9n11	 ID: 197711.	Hit 3 : (+-)-cis-Butyl 2-(pent-1-ynyl)cyclohexane	C15H26	 MF: 504	 RMF: 593	 Prob 3.11%		 Lib: w9n11	 ID: 199794.	4182	2524	2344	5239	8123	6570	9836	8316	6208	1779	2845	5036	3626	12.02997735	11.30149619	11.19475685	12.35507575	12.98779693	12.68167766	13.26385602	13.02167404	12.59991284	10.7968508	11.47421294	12.29806257	11.82416321	11.50874347	12.67485011	12.9618143	0.907998388	0.064824347	0	0	1	1	0.88789603	0.064824347	0	1	1	2	3	black	red
met522	51991	1	37	11614	38.997002	131.052841	-948	"Hit 1 : 2-Imino-4-(1-methylpropyl)-2H-pyrido[1,2-a]pyrimidine Hydrochloride"	C12H15N3	 MF: 650	 RMF: 731	 Prob 54.9%		 Lib: w9n11	 ID: 184449.	"Hit 2 : 4-(Methoxymethyl)-4,4-dimethyl-3,4-dihydro-1(2H)-naphthalenone"	C14H18O2	 MF: 621	 RMF: 824	 Prob 15.6%		 Lib: w9n11	 ID: 231640.	Hit 3 : (E)-1-Phenyl-1-octen-3-one	C14H18O	 MF: 590	 RMF: 776	 Prob 4.23%		 Lib: w9n11	 ID: 187904.	41961	37628	32974	25029	25288	22421	28905	26068	25825	34478	25707	25766	27904	15.35676144	15.19951899	15.00904129	14.61131303	14.62616532	14.452563	14.81903145	14.66999228	14.65648073	15.07338847	14.64987364	14.65318097	14.76818432	15.18844057	14.56334712	14.71516815	1.042922375	0.06467017	0	0	1	1	1.032162216	0.06467017	0	0	1	1	2	black	black
met523	62304	1	52	11653	39.127998	135.081802	-610	"Hit 1 : 4-Allyl-1-hydroxy-2-methoxyanthracene-9,10-dione"	C18H14O4	 MF: 632	 RMF: 695	 Prob 78.6%		 Lib: w9n11	 ID: 449039.	"Hit 2 : 2,2-Dimethyl-3-phenyl-4-(2'-bromo-2'-propenyl)-2,5-dihydrofuran"	C15H17BrO	 MF: 588	 RMF: 646	 Prob 17.0%		 Lib: w9n11	 ID: 442457.	"Hit 3 : 5-Methyl-4-(1-methylethylidene)-2-(4'-bromophenyl)-2,4-dihydro-3H-pyrazol-3-one"	C13H13BrN2O	 MF: 529	 RMF: 581	 Prob 3.07%	 CAS: 100711-90-8	 Lib: w9n11	 ID: 441844.	51985	37700	43552	32639	33408	20901	32087	21390	500	500	25308	23280	25650	15.66580778	15.2022769	15.41045135	14.99430924	15.027906	14.35128435	14.96970129	14.38464886	8.965784285	8.965784285	14.62730588	14.50680344	14.64667121	15.42617868	14.79116653	12.77337815	1.042931851	0.06467017	0	0	1	1	1.207681985	0.06467017	1	0	1	2	3	black	red
met524	56536	1	68	11654	39.131001	224.155594	-136	"Hit 1 : 5-t-Butyl-3,4-dimethoxybenzyl alcohol"	C13H20O3	 MF: 829	 RMF: 863	 Prob 81.3%		 Lib: w9n11	 ID: 250068.	Hit 2 : 1-Vinyl-8-methoxy-?-carboline	C14H12N2O	 MF: 751	 RMF: 779	 Prob 9.59%		 Lib: w9n11	 ID: 250334.	Hit 3 : 6-(Pentamethylphenyl)fulvene	C17H20	 MF: 742	 RMF: 875	 Prob 6.96%		 Lib: w9n11	 ID: 251500.	20272	16565	13521	32592	41136	37523	40449	37685	34178	9145	15978	28215	18117	14.30720081	14.01585058	13.72291424	14.99223026	15.32811389	15.19548756	15.30381642	15.20170277	15.06078036	13.15876745	13.96379921	14.78417473	14.14505646	14.01532188	15.17194391	15.18876651	0.923765733	0.06467017	0	0	1	1	0.922742598	0.06467017	0	0	1	1	2	black	black
met525	64813	1	115	11668	39.177998	73.046341	-331	"Hit 1 : Heptasiloxane, hexadecamethyl-"	C16H48O6Si7	 MF: 789	 RMF: 809	 Prob 61.3%	 CAS: 541-01-5	 Lib: replib	 ID: 29913.	"Hit 2 : Heptasiloxane, hexadecamethyl-"	C16H48O6Si7	 MF: 789	 RMF: 809	 Prob 61.3%	 CAS: 541-01-5	 Lib: w9n11	 ID: 782552.	"Hit 3 : Heptasiloxane, hexadecamethyl- (CAS)"	C16H48O6Si7	 MF: 788	 RMF: 808	 Prob 61.3%	 CAS: 541-01-5	 Lib: w9n11	 ID: 782553.	403278	386551	287286	167148	177647	189126	292317	257120	214482	176220	207706	282843	211708	18.62141518	18.56029924	18.13212816	17.35076657	17.4386538	17.52898819	18.15717421	17.97208231	17.71049705	17.42701815	17.66418337	18.10964194	17.69171626	18.43794753	17.43946952	17.94658452	1.057253921	0.06467017	0	0	1	1	1.027379193	0.06467017	0	0	1	1	2	black	black
met526	12477	1	39	11686	39.237999	140.999954	-700	"Hit 1 : 5-(Aminomethyl)pentacyclo[5.4.0.0(2,4).0(3,9).0(6,8)]undec-10-en-5-ol"	C12H15NO	 MF: 639	 RMF: 860	 Prob 39.2%		 Lib: w9n11	 ID: 153105.	"Hit 2 : Benzenesulfonamide, N-butyl- (CAS)"	C10H15NO2S	 MF: 607	 RMF: 903	 Prob 10.5%	 CAS: 3622-84-2	 Lib: w9n11	 ID: 217363.	Hit 3 : 3-Methyl-2-hydroxyquinoline	C10H9NO	 MF: 606	 RMF: 767	 Prob 10.1%		 Lib: w9n11	 ID: 85438.	24495	209914	36634	19152	59838	77207	30044	21680	15789	14596	17475	40086	22631	14.58019967	17.67943886	15.16089561	14.22520744	15.86877434	16.23644404	14.87478928	14.40407714	13.94663218	13.83328544	14.09300484	15.29081084	14.46601271	15.80684472	15.44347527	14.40849953	1.023528995	0.196463366	0	0	0	0	1.097050021	0.196463366	0	0	0	0	0	black	black
met527	38133	1	59	11709	39.315998	178.077469	-641	Hit 1 : Alcyopterosin C	C15H19NO4	 MF: 667	 RMF: 811	 Prob 64.2%		 Lib: w9n11	 ID: 400955.	Hit 2 : l-2-[1-(4-methoxyphenyl)-2-nitroethyl]-cyclohexanone	C15H19NO4	 MF: 616	 RMF: 781	 Prob 12.9%	 CAS: 67861-09-0	 Lib: w9n11	 ID: 400829.	"Hit 3 : Ethyl 1,2-bis(4'-methylphenyl)-3-azidocyclopropene-3-carboxylate"	C20H19N3O2	 MF: 607	 RMF: 997	 Prob 9.39%		 Lib: w9n11	 ID: 549820.	40209	38233	48800	34312	48166	36469	46578	44490	50208	27819	27905	37525	32801	15.29523084	15.22253079	15.57459353	15.0664256	15.5557275	15.15438302	15.50736107	15.44119348	15.61562964	14.76378294	14.76823603	15.19556445	15.00145218	15.36411838	15.25884537	15.52139473	1.006899147	0.066607529	0	0	1	1	0.989867125	0.066607529	0	0	1	1	2	black	black
met528	52006	1	37	11712	39.326	173.096481	-1224	"Hit 1 : 4-(Methoxymethyl)-4,4-dimethyl-3,4-dihydro-1(2H)-naphthalenone"	C14H18O2	 MF: 644	 RMF: 823	 Prob 13.3%		 Lib: w9n11	 ID: 231640.	Hit 2 : 4-Iodo-1-(4-trifluoromethylphenyl)butanone	C11H10F3IO	 MF: 626	 RMF: 935	 Prob 6.85%		 Lib: w9n11	 ID: 568371.	"Hit 3 : 2,2-Dimethyl-3,3-(1',2'-ethylidene)-6-methyl-1,2-dihydrobenzofuran"	C13H16O	 MF: 623	 RMF: 804	 Prob 6.05%		 Lib: w9n11	 ID: 151633.	44001	39314	32174	26210	26017	24317	27320	25639	28096	32312	24681	27178	28534	15.42524869	15.26275554	14.97360769	14.67782973	14.667167	14.56967763	14.73766986	14.64605237	14.77807713	14.97978243	14.59111323	14.73015167	14.80039438	15.22053731	14.63822479	14.72059979	1.039780269	0.06467017	0	0	1	1	1.033961763	0.06467017	0	0	1	1	2	black	black
met529	55842	1	75	11734	39.398998	161.097534	-1169	Hit 1 : 4-(1-cyclohexenyl)-2-trimethylsilylmethyl-1-buten-3-yne	C14H24Si	 MF: 662	 RMF: 734	 Prob 22.4%		 Lib: w9n11	 ID: 237674.	"Hit 2 : 2,6-di-tert-Butyl-4-(dimethylaminomethyl)phenol"	C17H29NO	 MF: 654	 RMF: 675	 Prob 16.7%	 CAS: 88-27-7	 Lib: replib	 ID: 29812.	"Hit 3 : 2,6-di-tert-Butyl-4-(dimethylaminomethyl)phenol"	C17H29NO	 MF: 654	 RMF: 675	 Prob 16.7%	 CAS: 88-27-7	 Lib: w9n11	 ID: 361603.	5722	12380	5024	47625	13876	12277	54351	88923	121003	16805	5699	31621	3573	12.48230378	13.59572369	12.29462075	15.53943147	13.76030413	13.58367045	15.73001896	16.440269	16.88468329	14.03660292	12.47649308	14.94859537	11.8029202	12.79088274	14.29446868	16.35165708	0.894813443	0.066894347	0	1	1	2	0.782237707	0.066894347	0	1	1	2	4	red	red
met530	38253	1	77	11742	39.426003	57.069756	-185	Hit 1 : Triacontane (CAS)	C30H62	 MF: 883	 RMF: 909	 Prob 14.3%	 CAS: 638-68-6	 Lib: w9n11	 ID: 706105.	Hit 2 : Hexatriacontane (CAS)	C36H74	 MF: 877	 RMF: 898	 Prob 11.3%	 CAS: 630-06-8	 Lib: w9n11	 ID: 772628.	Hit 3 : Nonadecane	C19H40	 MF: 863	 RMF: 899	 Prob 7.05%	 CAS: 629-92-5	 Lib: replib	 ID: 6141.	721229	478289	163248	165116	87535	3300000	106826	101311	108064	121571	73097	93112	91114	19.46009788	18.86752309	17.31670579	17.3331204	16.41757236	21.65403459	16.7049033	16.6284313	16.72152646	16.8914396	16.15752458	16.50667949	16.47538513	18.54810892	18.46824245	16.68495369	1.00432453	0.114432631	0	0	0	0	1.111666791	0.114432631	1	0	0	1	1	black	black
met531	58074	1	127	11760	39.487	118.077141	-117	"Hit 1 : 5-t-Butyl-3,4-dimethoxybenzyl alcohol"	C13H20O3	 MF: 862	 RMF: 903	 Prob 79.6%		 Lib: w9n11	 ID: 250068.	Hit 2 : 6-(Pentamethylphenyl)fulvene	C17H20	 MF: 808	 RMF: 951	 Prob 15.6%		 Lib: w9n11	 ID: 251500.	Hit 3 : 1-Vinyl-8-methoxy-?-carboline	C14H12N2O	 MF: 766	 RMF: 797	 Prob 3.50%		 Lib: w9n11	 ID: 250334.	204580	174161	140960	322846	375033	419125	389150	384748	311910	101616	168444	243524	173025	17.64230559	17.41006207	17.1049263	18.30048663	18.51665802	18.67702105	18.56996683	18.5535543	18.25077028	16.63276805	17.36190951	17.89370444	17.40062098	17.38576465	18.49805523	18.45809714	0.939869864	0.067765474	0	0	1	1	0.941904494	0.067765474	0	0	1	1	2	black	black
met532	43907	1	68	11768	39.514	159.8591	-266	"Hit 1 : N,N'-BIS(PENTAMETHYLENE)THIURAMTETRASULFIDE"	C12H20N2S6	 MF: 750	 RMF: 780	 Prob 44.5%	 CAS: 971-15-3	 Lib: w9n11	 ID: 649860.	"Hit 2 : Sulfur, mol. (S8) (CAS)"	S8	 MF: 745	 RMF: 813	 Prob 35.9%	 CAS: 10544-50-0	 Lib: w9n11	 ID: 343007.	Hit 3 : Sulfur	S8	 MF: 722	 RMF: 741	 Prob 13.1%	 CAS: 7704-34-9	 Lib: w9n11	 ID: 342998.	4069	5779	28409	8730	9500	2364	204234	31633	88773	261518	500	69332	500	11.99045857	12.49660415	14.79406043	13.09176594	13.2137118	11.20701432	17.63986353	14.94914276	16.43783333	17.99655072	8.965784285	16.08123376	8.965784285	13.09370772	12.50416402	16.34227988	1.04714779	0.070715784	0	0	1	1	0.80121671	0.070715784	0	1	1	2	3	black	red
met533	9431	1	71	11769	39.516998	91.05368	-237	"Hit 1 : Benzene, 1,1'-[1,2-ethanediylbis(oxy)]bis- (CAS)"	C14H14O2	 MF: 645	 RMF: 876	 Prob 86.8%	 CAS: 104-66-5	 Lib: w9n11	 ID: 221295.	"Hit 2 : Benzene, 1,1'-[1,2-ethanediylbis(oxy)]bis-"	C14H14O2	 MF: 630	 RMF: 779	 Prob 86.8%	 CAS: 104-66-5	 Lib: replib	 ID: 10941.	"Hit 3 : Benzene, 1,1'-[1,2-ethanediylbis(oxy)]bis-"	C14H14O2	 MF: 630	 RMF: 779	 Prob 86.8%	 CAS: 104-66-5	 Lib: w9n11	 ID: 221292.	500	56218	14366	40005	32127	33993	68768	32468	58794	9984	15575	22389	15613	8.965784285	15.77874451	13.8103708	15.28789271	14.97149865	15.05295007	16.06944977	14.9867309	15.84338131	13.28540222	13.92694454	14.45050247	13.93046015	12.8516332	15.10411381	15.63318733	0.850869727	0.929634397	0	1	0	1	0.822073767	0.929634397	0	1	0	1	2	black	black
met534	59532	1	9	11792	39.593998	247.207596	105	"Hit 1 : 7,8,9,10-Tetrahydro-1-nitropyrido[1,2-a]quinoxalin-6-one"	C12H13N3O3	 MF: 981	 RMF: 985	 Prob 26.8%	 CAS: 84831-80-1	 Lib: w9n11	 ID: 314348.	"Hit 2 : 7-Bromo-tricyclo[5.4.0.0(2,6)]undec-1(11)-ene-8,8,9,9-tetracarbonitrile"	C15H11BrN4	 MF: 980	 RMF: 983	 Prob 25.8%		 Lib: w9n11	 ID: 531279.	"Hit 3 : Methyl 3?,4.apha.-Isopropylidenedioxy-5?(difluoromethyl)cyclohex-1-ene-1-carboxylate"	C12H14F2O4	 MF: 956	 RMF: 959	 Prob 8.63%		 Lib: w9n11	 ID: 351222.	4695	4257	2268	8814	14791	12648	12106	14379	5790	1615	3077	7316	3732	12.19690944	12.05562137	11.14720492	13.10558118	13.85243197	13.62662165	13.56343464	13.81167573	12.49934763	10.65731845	11.58730873	12.83683936	11.86573327	11.79991191	13.5282116	13.291486	0.872244777	0.06467017	0	1	1	2	0.887779735	0.06467017	0	1	1	2	4	red	red
met535	39150	1	38	11798	39.614002	105.034828	-698	"Hit 1 : Ethyl N-benzoyl-3,6-dihydro-3-methyl-2H-1,2-oxazine-6-carboxylate"	C15H17NO4	 MF: 799	 RMF: 968	 Prob 11.7%		 Lib: w9n11	 ID: 395439.	"Hit 2 : Benzeneacetonitrile, ?-methyl-"	C9H9N	 MF: 796	 RMF: 961	 Prob 10.3%	 CAS: 1823-91-2	 Lib: w9n11	 ID: 38157.	"Hit 3 : (1S,3R,4R)-2-[(S)-1-Phenylethylamino]-2-azabicyclo[2.2.1]heptane-3(S)-phenylmethanol"	C21H25NO	 MF: 794	 RMF: 963	 Prob 9.53%		 Lib: w9n11	 ID: 484684.	162493	123582	128370	500	137876	100684	166368	133699	151660	59333	108527	111348	136265	17.31001804	16.9151091	16.96994856	8.965784285	17.07301182	16.61947491	17.34401844	17.02862915	17.2104811	15.85654711	16.72769448	16.76471612	17.05605552	17.06502523	14.21942367	17.19437623	1.200120738	0.065556031	1	0	1	2	0.992477134	0.065556031	0	0	1	1	3	red	black
met536	7757	1	60	11799	39.618	81.068954	-1230	"Hit 1 : 7,7-Dimethylnorbornane"	C9H16	 MF: 576	 RMF: 840	 Prob 28.2%	 CAS: 2034-53-9	 Lib: w9n11	 ID: 29499.	"Hit 2 : Silane, difluorodimethyl-"	C2H6F2Si	 MF: 542	 RMF: 805	 Prob 7.23%	 CAS: 353-66-2	 Lib: w9n11	 ID: 7933.	"Hit 3 : Silane, difluorodimethyl-"	C2H6F2Si	 MF: 542	 RMF: 805	 Prob 7.23%	 CAS: 353-66-2	 Lib: mainlib	 ID: 49887.	500	500	500	3720000	500	500	500	500	500	500	500	500	500	8.965784285	8.965784285	8.965784285	21.82687119	8.965784285	8.965784285	8.965784285	8.965784285	8.965784285	8.965784285	8.965784285	8.965784285	8.965784285	8.965784285	13.25281325	8.965784285	0.676519326	0.114432631	0	1	0	1	1	0.114432631	0	0	0	0	1	black	black
met18	7758	0.964352	59	11811	39.658001	79.052979	-1774	"Hit 1 : trans-1-Methyl-2-(2'-phenyl-1'-ethynyl)-2,3-dihydro-1H-indene"	C18H16	 MF: 444	 RMF: 737	 Prob 13.9%		 Lib: w9n11	 ID: 273406.	"Hit 2 : Methyl [Methyl 5-deoxy-5-[[(1,1-dimethylethoxy)-carbonyl]amino]-?-D-mannofuranosid]uronate,2,3-Diacetate"	C17H27NO10	 MF: 427	 RMF: 923	 Prob 7.60%	 CAS: 127257-02-7	 Lib: w9n11	 ID: 683368.	"Hit 3 : 5,7-di(t-Butyl)benzoxazole"	C15H21NO	 MF: 427	 RMF: 731	 Prob 7.60%		 Lib: w9n11	 ID: 269574.	4128	500	500	517775	500	5969	500	500	500	500	5927	500	500	12.01122726	8.965784285	8.965784285	18.98196578	8.965784285	12.54327354	8.965784285	8.965784285	8.965784285	8.965784285	12.53308634	8.965784285	8.965784285	9.980931942	13.49700787	8.965784285	0.739492193	0.154880539	0	1	0	1	1.113224635	0.154880539	1	0	0	1	2	black	black
met537	58357	1	52	11816	39.674999	228.20694	-526	Hit 1 : 5-(Hydroxymethyl)-2-(1-methyl-2-imidazolyl)-1H-benzimidazole	C12H12N4O	 MF: 726	 RMF: 821	 Prob 67.5%		 Lib: w9n11	 ID: 260258.	"Hit 2 : (3R,4S,5S)-4-tert-Butoxy-3,5-bis(acetoxymethyl)cyclopentene"	C15H24O5	 MF: 680	 RMF: 826	 Prob 14.2%		 Lib: w9n11	 ID: 420608.	Hit 3 : RESVERATROL	C14H12O3	 MF: 660	 RMF: 753	 Prob 6.49%		 Lib: w9n11	 ID: 261560.	8124	6429	4452	3873	4978	1675	65421	33719	22506	4034	2051	7687	4630	12.98797452	12.65037864	12.12023788	11.91923579	12.28135051	10.70994538	15.99746619	15.04127413	14.45802205	11.97799537	11.00211178	12.90820495	12.17679648	12.58619701	11.63684389	15.16558746	1.081581667	0.06467017	0	0	1	1	0.829918198	0.06467017	0	1	1	2	3	black	red
met538	53647	1	56	11829	39.718002	185.15271	-2259	"Hit 1 : Adipic acid, butyl 2-methylpent-3-yl ester"	C16H30O4	 MF: 546	 RMF: 733	 Prob 5.50%		 Lib: mainlib	 ID: 114049.	"Hit 2 : Adipic acid, butyl 2-methylpent-3-yl ester"	C16H30O4	 MF: 546	 RMF: 733	 Prob 5.50%		 Lib: w9n11	 ID: 427078.	"Hit 3 : Adipic acid, butyl isobutyl ester"	C14H26O4	 MF: 540	 RMF: 749	 Prob 4.32%		 Lib: mainlib	 ID: 172260.	16627	39001	10593	23671	94328	17444	62179	17536	14336	7672	25138	35114	4165	14.02124027	15.2512235	13.37082361	14.53083303	16.52539846	14.09044328	15.92413979	14.09803208	13.80735492	12.90538701	14.61758225	15.09975873	12.02410078	14.21442912	15.04889159	14.60984227	0.944549905	0.260581388	0	0	0	0	0.972935153	0.260581388	0	0	0	0	0	black	black
met539	28318	1	147	11853	39.799	95.084435	-181	"Hit 1 : 1-Phenyl-3-(4""-hydroxyphenyl)-1-butene"	C16H16O	 MF: 856	 RMF: 879	 Prob 13.3%		 Lib: w9n11	 ID: 251336.	"Hit 2 : 1,2-Dimethyl-7-phenyl-2-pyrrolino[3,2-c]pyridine"	C15H16N2	 MF: 853	 RMF: 875	 Prob 11.8%		 Lib: w9n11	 ID: 251047.	"Hit 3 : (6-Phenylhexa-5-ene-1,3-diynyl)trimethylsilane"	C15H16Si	 MF: 851	 RMF: 873	 Prob 10.9%		 Lib: w9n11	 ID: 251063.	16539	500	500	6660000	54277	91033	47332	45929	43798	5066	17598	30107	29235	14.01358439	8.965784285	8.965784285	22.66709075	15.72805336	16.47410201	15.53052826	15.48711775	15.41857737	12.30663136	14.10312386	14.87781134	14.83540897	10.64838432	18.2897487	15.47874113	0.582205064	0.066607529	0	1	1	2	0.687936069	0.066607529	0	1	1	2	4	red	red
met540	58070	1	174	11853	39.799	118.076622	-119	"Hit 1 : 5-t-Butyl-3,4-dimethoxybenzyl alcohol"	C13H20O3	 MF: 873	 RMF: 911	 Prob 79.2%		 Lib: w9n11	 ID: 250068.	Hit 2 : 6-(Pentamethylphenyl)fulvene	C17H20	 MF: 817	 RMF: 948	 Prob 15.1%		 Lib: w9n11	 ID: 251500.	Hit 3 : 1-Vinyl-8-methoxy-?-carboline	C14H12N2O	 MF: 778	 RMF: 803	 Prob 3.56%		 Lib: w9n11	 ID: 250334.	600624	504120	369571	1040000	1290000	1210000	1250000	1240000	1030000	199123	475358	760848	514840	19.1961026	18.94340767	18.49549203	19.9881521	20.29893963	20.20657562	20.25349666	20.24190869	19.97421291	17.60330035	18.85865491	19.53724874	18.97376462	18.8783341	20.16455578	20.15653942	0.936213736	0.090235227	0	0	1	1	0.936586073	0.090235227	0	0	1	1	2	black	black
met31	40020	0.999594	116	11873	39.865997	109.100304	-781	Hit 1 : endo/exo-4-Vinyl-1-methyl-3-oxabicyclo[3.1.0]hexane	C8H12O	 MF: 642	 RMF: 783	 Prob 28.2%		 Lib: w9n11	 ID: 29304.	Hit 2 : endo-4-Vinyl-1-methyl-3-oxabicyclo[3.1.0]hexane	C8H12O	 MF: 642	 RMF: 783	 Prob 28.2%		 Lib: w9n11	 ID: 29305.	Hit 3 : PERDEUTERIOBENZYLIDENE-(N-BUTYL)AMINE	C11H9D6N	 MF: 640	 RMF: 694	 Prob 26.0%	 CAS: 55103-95-2	 Lib: w9n11	 ID: 88947.	500	500	500	5120000	24937	19909	42755	41499	32688	500	500	500	13426	8.965784285	8.965784285	8.965784285	22.28771238	14.60600029	14.28113314	15.38380553	15.34078895	14.99647349	8.965784285	8.965784285	8.965784285	13.71274193	8.965784285	17.05828194	15.24035599	0.525597145	0.163707611	0	1	0	1	0.588292314	0.163707611	0	1	0	1	2	black	black
met541	9098	1	63	11898	39.950001	219.173248	-1048	"Hit 1 : 4-Acetyl-3-methyl-6-phenyl-1,2-dioxan-3-ol"	C13H16O4	 MF: 674	 RMF: 899	 Prob 35.8%		 Lib: w9n11	 ID: 282685.	Hit 2 : Trimethyl(3-methyl-2-phenyl-2-butenyl)silane	C14H22Si	 MF: 656	 RMF: 739	 Prob 18.5%		 Lib: w9n11	 ID: 232003.	Hit 3 : 4-(1-cyclohexenyl)-2-trimethylsilylmethyl-1-buten-3-yne	C14H24Si	 MF: 632	 RMF: 733	 Prob 6.18%		 Lib: w9n11	 ID: 237674.	4242	3133	3834	500	2576	1871	175682	99582	260497	500	2019	500	1664	12.05052891	11.61332905	11.90463462	8.965784285	11.33091688	10.86959384	17.42260686	16.60359737	17.99090723	8.965784285	10.9794252	8.965784285	10.70043972	11.85616419	10.388765	17.33903715	1.141248665	0.06467017	1	0	1	2	0.683784462	0.06467017	0	1	1	2	4	red	red
met542	38449	1	91	11917	40.013	73.031776	-937	Hit 1 : Pentadecanoic acid	C15H30O2	 MF: 658	 RMF: 689	 Prob 50.9%	 CAS: 1002-84-2	 Lib: mainlib	 ID: 40629.	Hit 2 : Pentadecanoic acid	C15H30O2	 MF: 658	 RMF: 689	 Prob 50.9%	 CAS: 1002-84-2	 Lib: w9n11	 ID: 302048.	Hit 3 : Pentadecanoic acid	C15H30O2	 MF: 657	 RMF: 697	 Prob 50.9%	 CAS: 1002-84-2	 Lib: replib	 ID: 9627.	90730	171629	65726	174580	600143	90749	344750	63025	75791	61149	145425	211260	66430	16.46929204	17.38893382	16.00417657	17.41352877	19.19494678	16.46959413	18.39519103	15.94363659	16.20973892	15.90004129	17.14991578	17.68866011	16.01954729	16.62080081	17.69268989	16.84952218	0.939416274	0.618650495	0	0	0	0	0.986425646	0.618650495	0	0	0	0	0	black	black
met543	32124	1	123	11918	40.016998	55.053738	-1014	Hit 1 : Pentadecanoic acid	C15H30O2	 MF: 572	 RMF: 575	 Prob 25.7%	 CAS: 1002-84-2	 Lib: replib	 ID: 1852.	Hit 2 : Pentadecanoic acid	C15H30O2	 MF: 572	 RMF: 575	 Prob 25.7%	 CAS: 1002-84-2	 Lib: w9n11	 ID: 302052.	Hit 3 : Decanal (CAS)	C10H20O	 MF: 570	 RMF: 691	 Prob 23.7%	 CAS: 112-31-2	 Lib: w9n11	 ID: 80380.	41202	82460	31402	4010000	254505	43455	146990	25991	33309	27743	67520	95275	30154	15.33042675	16.33140684	14.93856883	21.93517081	17.95733447	15.40723456	17.16535848	14.66572452	15.02362442	14.75983618	16.04302728	16.53981008	14.88006177	15.53346747	18.43324662	15.61823581	0.842687552	0.29918207	0	1	0	1	0.994572477	0.29918207	0	0	0	0	1	black	black
met3	31020	0.85404	113	11928	40.049999	67.053795	-1785	"Hit 1 : Z-6,17-Octadecadien-1-ol acetate"	C20H36O2	 MF: 616	 RMF: 619	 Prob 6.33%	 CAS: 86252-73-5	 Lib: mainlib	 ID: 8375.	"Hit 2 : Z-6,17-Octadecadien-1-ol acetate"	C20H36O2	 MF: 616	 RMF: 619	 Prob 6.33%	 CAS: 86252-73-5	 Lib: w9n11	 ID: 487678.	"Hit 3 : Cyclopentene, 1-pentyl-"	C10H18	 MF: 611	 RMF: 663	 Prob 5.10%	 CAS: 4291-98-9	 Lib: replib	 ID: 8153.	500	27383	9732	6930000	72974	500	47111	500	500	500	21427	7422	7615	8.965784285	14.74099289	13.2485206	22.72442392	16.15509492	8.965784285	15.52377634	8.965784285	8.965784285	8.965784285	14.38714225	12.85759229	12.89462832	12.31843259	15.94843437	11.15178163	0.77239134	0.473786216	0	1	0	1	1.104615657	0.473786216	1	0	0	1	2	black	black
met544	55601	1	61	11944	40.104	69.069519	-702	"Hit 1 : 1,2,3,3a-Tetrahydro-10-phenylbenzo[C]cyclopenta[F]-1,2-diazepine"	C18H16N2	 MF: 583	 RMF: 659	 Prob 73.1%	 CAS: 28749-06-6	 Lib: mainlib	 ID: 186947.	"Hit 2 : 1,2,3,3a-Tetrahydro-10-phenylbenzo[C]cyclopenta[F]-1,2-diazepine"	C18H16N2	 MF: 583	 RMF: 659	 Prob 73.1%	 CAS: 28749-06-6	 Lib: w9n11	 ID: 353643.	"Hit 3 : 1,2,3,3a-Tetrahydro-10-phenylbenzo[C]cyclopenta[F]-1,2-diazepine"	C18H16N2	 MF: 582	 RMF: 658	 Prob 73.1%	 CAS: 28749-06-6	 Lib: w9n11	 ID: 353642.	17621	62087	24292	4440000	183216	30183	115890	24068	23937	20036	51069	77975	24044	14.10500818	15.9220036	14.56819365	22.08212825	17.48318597	14.88144859	16.82239656	14.55482864	14.54695473	14.2903069	15.64016019	16.25072403	14.5533893	14.86506848	18.14892094	15.30805998	0.819060733	0.465955907	0	1	0	1	0.971061552	0.465955907	0	0	0	0	1	black	black
met545	10164	1	24	11969	40.188	155.14418	-937	"Hit 1 : (2S,4R,5S)-2-Ethyl-5-methoxycarbonyl-4-methyl-5-hexanolide"	C9H14O4	 MF: 657	 RMF: 868	 Prob 64.1%		 Lib: w9n11	 ID: 145184.	Hit 2 : Ethyl 2-methyl-3-(naphthalen-2'-yl)-3-oxopropanoate	C16H16O3	 MF: 634	 RMF: 820	 Prob 23.4%		 Lib: w9n11	 ID: 342009.	"Hit 3 : Phosphoric acid, triethyl ester (CAS)"	C6H15O4P	 MF: 602	 RMF: 846	 Prob 6.25%	 CAS: 78-40-0	 Lib: w9n11	 ID: 134521.	3835	2611	500	500	500	500	23399	12591	15564	500	500	500	500	11.90501086	11.35038674	8.965784285	8.965784285	8.965784285	8.965784285	14.51415925	13.62010525	13.92592526	8.965784285	8.965784285	8.965784285	8.965784285	10.74039396	8.965784285	14.02006326	1.197931338	0.070715784	1	0	1	2	0.766073146	0.070715784	0	1	1	2	4	red	red
met546	53528	1	48	11988	40.252003	186.051086	-830	"Hit 1 : Benzene, 1,1'-thiobis- (CAS)"	C12H10S	 MF: 626	 RMF: 930	 Prob 61.9%	 CAS: 139-66-2	 Lib: w9n11	 ID: 146854.	"Hit 2 : Benzene, 1,1'-thiobis- (CAS)"	C12H10S	 MF: 609	 RMF: 937	 Prob 61.9%	 CAS: 139-66-2	 Lib: w9n11	 ID: 146853.	Hit 3 : 2-(2'-Phenylethenyl)-thiophene	C12H10S	 MF: 605	 RMF: 884	 Prob 26.3%		 Lib: w9n11	 ID: 146859.	6866	7793	6669	500	11081	9189	10594	8081	8906	5201	7006	8120	7909	12.74525414	12.9279631	12.70325473	8.965784285	13.43580046	13.16569215	13.37095979	12.98031812	13.1205619	12.34457332	12.77437527	12.98726401	12.94927958	12.79215733	11.85575897	13.15727994	1.078982574	0.07436095	0	0	1	1	0.972249385	0.07436095	0	0	1	1	2	black	black
met547	34683	1	113	11990	40.257999	67.053886	-1381	Hit 1 : E-2-Octadecadecen-1-ol	C18H36O	 MF: 692	 RMF: 699	 Prob 5.50%		 Lib: mainlib	 ID: 19022.	Hit 2 : E-2-Octadecadecen-1-ol	C18H36O	 MF: 692	 RMF: 699	 Prob 5.50%		 Lib: w9n11	 ID: 377179.	"Hit 3 : 1,16-Hexadecanediol"	C16H34O2	 MF: 689	 RMF: 713	 Prob 4.86%	 CAS: 7735-42-4	 Lib: mainlib	 ID: 20583.	22589	33809	24755	5760000	60108	79390	29126	27306	29681	13857	500	34203	15736	14.46333278	15.04511972	14.59543233	22.45763738	15.8752694	16.27666968	14.83001996	14.73693037	14.85725208	13.75832733	8.965784285	15.06183525	13.94178124	14.70129495	18.20319215	14.80806747	0.807621807	0.06467017	0	1	1	2	0.992789571	0.06467017	0	0	1	1	3	red	black
met548	58424	1	53	12028	40.385998	57.069733	-115	"Hit 1 : 1,4[1',2']-Benzeno-1,4-hydro-2-ethenylnaphthalene"	C18H14	 MF: 818	 RMF: 875	 Prob 75.5%		 Lib: w9n11	 ID: 267924.	Hit 2 : O-TERPHENYL	C18Cl14	 MF: 709	 RMF: 874	 Prob 4.89%		 Lib: w9n11	 ID: 811397.	"Hit 3 : (E,E)-1,6-Diphenylhexa-1,5-dien-3-yne"	C18H14	 MF: 703	 RMF: 863	 Prob 3.84%		 Lib: w9n11	 ID: 267946.	6540	118342	155768	3550000	80426	7460000	83400	80269	88583	90663	50148	81038	84270	12.67507492	16.85260266	17.24903936	21.75938759	16.29537435	22.8307442	16.34775976	16.2925553	16.43474224	16.46822628	15.61390454	16.30631095	16.3627315	15.59223898	20.29516871	16.35835243	0.768273435	0.102726545	0	1	0	1	0.953166833	0.102726545	0	0	0	0	1	black	black
met549	61113	1	33	12043	40.436001	159.858047	-937	Hit 1 : (Z)-2-Chloro-2-octen-1-one	C8H13ClO	 MF: 474	 RMF: 984	 Prob 41.4%		 Lib: w9n11	 ID: 86372.	Hit 2 : Diphenylprop-1-ynylchlorosilane	C15H13ClSi	 MF: 422	 RMF: 645	 Prob 8.26%	 CAS: 137122-38-4	 Lib: w9n11	 ID: 341429.	Hit 3 : bis( 2-Chloroethyl)aminodifluorophosphane	C4H8Cl2F2NP	 MF: 416	 RMF: 945	 Prob 6.49%		 Lib: w9n11	 ID: 205845.	500	500	1145	500	500	500	10247	1213	500	3449	500	555	500	8.965784285	8.965784285	10.16113188	8.965784285	8.965784285	8.965784285	13.32291398	10.24436384	8.965784285	11.75196241	8.965784285	9.116343961	8.965784285	9.364233484	8.965784285	10.84435403	1.044441087	0.122883287	0	0	0	0	0.863512336	0.122883287	0	1	0	1	1	black	black
met550	4075	1	117	12044	40.439999	67.053856	-858	"Hit 1 : 1,19-Eicosadiene"	C20H38	 MF: 766	 RMF: 776	 Prob 6.25%	 CAS: 14811-95-1	 Lib: mainlib	 ID: 20599.	"Hit 2 : 1,19-Eicosadiene"	C20H38	 MF: 766	 RMF: 776	 Prob 6.25%	 CAS: 14811-95-1	 Lib: w9n11	 ID: 405551.	Hit 3 : Neophytadiene	C20H38	 MF: 762	 RMF: 779	 Prob 5.28%	 CAS: 504-96-1	 Lib: w9n11	 ID: 405540.	20911	500	21604	8100000	31258	855954	21555	12732	500	13320	500	13392	12620	14.35197444	8.965784285	14.39901083	22.94949048	14.93193785	19.70717374	14.39573494	13.63617144	8.965784285	13.70130646	8.965784285	13.70908381	13.62342429	12.57225652	19.19620069	12.33256356	0.654934626	0.064824347	0	1	1	2	1.019435778	0.064824347	0	0	1	1	3	red	black
met551	38327	1	72	12044	40.439999	71.08503	-493	"Hit 1 : Carbonic acid, eicosyl vinyl ester"	C23H44O3	 MF: 838	 RMF: 847	 Prob 6.75%		 Lib: mainlib	 ID: 25472.	Hit 2 : Hexatriacontane (CAS)	C36H74	 MF: 838	 RMF: 838	 Prob 6.75%	 CAS: 630-06-8	 Lib: w9n11	 ID: 772632.	Hit 3 : Pentatriacontane (CAS)	C35H72	 MF: 836	 RMF: 836	 Prob 6.22%	 CAS: 630-07-9	 Lib: w9n11	 ID: 765466.	162143	98288	135863	2260000	65997	7110000	73056	66947	76758	76058	42216	70195	78204	17.30690722	16.58472767	17.05179309	21.10789134	16.01011283	22.76141813	16.15671514	16.03073179	16.2280295	16.21481238	15.36550227	16.09908065	16.25495478	16.98114266	19.95980743	16.13849214	0.850766858	0.085238665	0	1	1	2	1.052213708	0.085238665	0	0	1	1	3	red	black
met552	6217	1	45	12094	40.606998	119.082962	-380	"Hit 1 : 3,4-dihydro-7-methylbenz[a]anthracene"	C19H16	 MF: 673	 RMF: 716	 Prob 44.0%		 Lib: w9n11	 ID: 308217.	"Hit 2 : 1,2-dihydro-7-methylbenz[a]anthracene"	C19H16	 MF: 673	 RMF: 716	 Prob 44.0%		 Lib: w9n11	 ID: 308218.	"Hit 3 : 1a,11b-Dihydrobenz[c]azirino[a]acridine"	C17H12N2	 MF: 622	 RMF: 716	 Prob 8.86%		 Lib: w9n11	 ID: 307966.	500	500	8677	422460	500	20682	500	500	500	3159	500	500	2712	8.965784285	8.965784285	13.08298061	18.68845522	8.965784285	14.33608808	8.965784285	8.965784285	8.965784285	11.62525222	8.965784285	8.965784285	11.40514146	10.33818306	13.99677586	8.965784285	0.738611746	0.194714028	0	1	0	1	1.153070689	0.194714028	1	0	0	1	2	black	black
met553	65150	1	106	12102	40.634003	281.051239	-570	"Hit 1 : Heptasiloxane, hexadecamethyl-"	C16H48O6Si7	 MF: 763	 RMF: 793	 Prob 45.9%	 CAS: 541-01-5	 Lib: replib	 ID: 29913.	"Hit 2 : Heptasiloxane, hexadecamethyl-"	C16H48O6Si7	 MF: 763	 RMF: 793	 Prob 45.9%	 CAS: 541-01-5	 Lib: w9n11	 ID: 782552.	"Hit 3 : Heptasiloxane, hexadecamethyl- (CAS)"	C16H48O6Si7	 MF: 761	 RMF: 792	 Prob 45.9%	 CAS: 541-01-5	 Lib: w9n11	 ID: 782553.	266919	196158	172118	155784	116525	94374	158541	148620	119401	58408	123422	172242	145117	18.02604248	17.58165665	17.39303846	17.24918754	16.83027999	16.52610183	17.27449646	17.18126875	16.86545539	15.83387836	16.91324005	17.39407745	17.14685701	17.66691253	16.86852312	17.10707353	1.047330131	0.066579461	0	0	1	1	1.032725585	0.066579461	0	0	1	1	2	black	black
met554	36172	1	46	12109	40.658001	87.043701	-166	"Hit 1 : Hexadecanoic acid, methyl ester (CAS)"	C17H34O2	 MF: 805	 RMF: 815	 Prob 80.7%	 CAS: 112-39-0	 Lib: w9n11	 ID: 382584.	"Hit 2 : Hexadecanoic acid, methyl ester (CAS)"	C17H34O2	 MF: 803	 RMF: 818	 Prob 80.7%	 CAS: 112-39-0	 Lib: w9n11	 ID: 382602.	"Hit 3 : Hexadecanoic acid, methyl ester"	C17H34O2	 MF: 785	 RMF: 795	 Prob 80.7%	 CAS: 112-39-0	 Lib: replib	 ID: 10414.	41315	39010	89620	50039	32333	17996	21754	17612	19488	52798	7080	15594	18033	15.33437805	15.25155638	16.45153311	15.61076534	14.98071975	14.13538865	14.40899308	14.10427113	14.25029842	15.68819566	12.78953364	13.92870342	14.13835181	15.67915584	14.90895791	14.25452088	1.051660078	0.06467017	0	0	1	1	1.099942676	0.06467017	0	0	1	1	2	black	black
met555	23814	1	40	12131	40.731003	125.005234	-465	Hit 1 : Diphenylprop-1-ynylchlorosilane	C15H13ClSi	 MF: 525	 RMF: 716	 Prob 90.4%	 CAS: 137122-38-4	 Lib: w9n11	 ID: 341429.	"Hit 2 : 1,2,3,6,7,12,12b-heptahydro-4-thio-3H-indo[2,3-a]-quinolizine"	C15H16N2S	 MF: 421	 RMF: 657	 Prob 6.26%	 CAS: 115826-52-3	 Lib: w9n11	 ID: 341602.	"Hit 3 : 2-Methyl-4-methallyl-5-[(ethoxycarbonyl)amino]-1,2,4-triazoline-3-thione"	C10H16N4O2S	 MF: 385	 RMF: 541	 Prob 1.54%		 Lib: w9n11	 ID: 339603.	26812	33032	21838	40257	35017	25848	34678	27478	27835	18815	20834	26101	25609	14.71059122	15.0115767	14.41455311	15.29695204	15.09576787	14.65776504	15.08173308	14.74598938	14.76461246	14.19959567	14.34665223	14.67181746	14.6443633	14.71224035	15.01682832	14.86411164	0.979716891	0.06467017	0	0	1	1	0.989782686	0.06467017	0	0	1	1	2	black	black
met556	1856	1	53	12162	40.835003	67.053688	-1424	"Hit 1 : 3-(2,2-Dimethylcyclopropyl)propanoic Acid"	C8H14O2	 MF: 585	 RMF: 803	 Prob 46.6%	 CAS: 124201-52-1	 Lib: w9n11	 ID: 53922.	Hit 2 : 2-Cyclohexylmethylhexanal	C13H24O	 MF: 556	 RMF: 846	 Prob 13.2%		 Lib: w9n11	 ID: 172826.	Hit 3 : N-(4'-Heptylidene)-cyanomethylamine	C9H16N2	 MF: 548	 RMF: 785	 Prob 9.85%		 Lib: w9n11	 ID: 70885.	8256	500	500	6770000	579329	500	500	500	500	6798	500	15398	10715	13.01122726	8.965784285	8.965784285	22.6907244	19.14402336	8.965784285	8.965784285	8.965784285	8.965784285	12.73089465	8.965784285	13.91045536	13.38734423	10.31426527	16.93351068	8.965784285	0.609103775	0.103500728	0	1	0	1	1.150403015	0.103500728	1	0	0	1	2	black	black
met557	11468	1	33	12194	40.943001	179.106842	-526	"Hit 1 : 5-[(Hydroxyimino)methyl]-1,2,3,4,5-pentamethylcyclopentadiene"	C11H17NO	 MF: 726	 RMF: 913	 Prob 53.8%		 Lib: w9n11	 ID: 128792.	Hit 2 : 2-ethyl-3-phenyl-3-trimethylsilyloxypropan-1-al	C14H22O2Si	 MF: 692	 RMF: 726	 Prob 13.8%	 CAS: 117642-48-5	 Lib: w9n11	 ID: 323852.	Hit 3 : (R)-(-)-2-(3'-Methoxyphenyl)propionamide	C10H13NO2	 MF: 680	 RMF: 869	 Prob 9.19%		 Lib: w9n11	 ID: 128486.	43259	38577	25249	43474	38067	36218	25028	16399	19281	15633	16469	16162	16347	15.4007127	15.23545333	14.62393863	15.40786522	15.21625326	15.14441926	14.61125539	14.00132022	14.23489226	13.93230704	14.00746534	13.98031812	13.99673828	15.08670155	15.25617925	14.28248929	0.98889121	0.06467017	0	0	1	1	1.05630757	0.06467017	0	0	1	1	2	black	black
met558	41358	1	212	12194	40.943001	73.028885	-148	Hit 1 : n-Hexadecanoic acid	C16H32O2	 MF: 842	 RMF: 850	 Prob 73.0%	 CAS: 57-10-3	 Lib: replib	 ID: 9622.	Hit 2 : Hexadecanoic acid (CAS)	C16H32O2	 MF: 836	 RMF: 842	 Prob 73.0%	 CAS: 57-10-3	 Lib: w9n11	 ID: 342238.	Hit 3 : n-Hexadecanoic acid	C16H32O2	 MF: 823	 RMF: 831	 Prob 73.0%	 CAS: 57-10-3	 Lib: replib	 ID: 7566.	491274	1170000	348150	1200000	4110000	406035	2310000	326751	362288	338597	755809	1350000	345235	18.90616836	20.1580771	18.4093495	20.19460298	21.97070696	18.63124457	21.13946142	18.31783213	18.46677749	18.36920967	19.52766217	20.36452798	18.39721921	19.15786499	20.26551817	19.30802368	0.945342963	0.488195689	0	0	0	0	0.99222299	0.488195689	0	0	0	0	0	black	black
met559	57955	1	72	12212	41.002998	223.111343	-1449	Hit 1 : 2-Cyano-1-(hydroxymethyl)-2-(naphth-1-yl)cyclopropane	C15H13NO	 MF: 575	 RMF: 832	 Prob 29.2%		 Lib: w9n11	 ID: 247231.	"Hit 2 : 5-METHYLDIBENZ(6,F)AZAPINE-10-ONE"	C15H13NO	 MF: 562	 RMF: 680	 Prob 18.9%		 Lib: w9n11	 ID: 247113.	"Hit 3 : Methyl 7-ethyl-3-methylpyrrolo[2,1-b]thiazole-2-carboxylate"	C11H13NO2S	 MF: 559	 RMF: 690	 Prob 16.7%		 Lib: w9n11	 ID: 246045.	13611	11126	4387	17093	21697	11087	27408	16030	13543	2625	8903	11839	10553	13.73248545	13.44164739	12.09901899	14.06111801	14.40520796	13.43658142	14.74230944	13.96848681	13.72525973	11.35810171	13.12007584	13.53125961	13.36536557	13.09105061	13.9676358	14.14535199	0.937241692	0.06467017	0	0	1	1	0.925466586	0.06467017	0	0	1	1	2	black	black
met560	59223	1	49	12236	41.084	243.21051	-380	"Hit 1 : N-[4,5-Bis(hydroxymethyl)-1-methyl-1H-imidazol-2-yl]-N-tritylamine"	C25H25N3O2	 MF: 677	 RMF: 873	 Prob 85.2%		 Lib: w9n11	 ID: 675283.	"Hit 2 : 3a,4-cis-(3aR(*),6aS(*))-4-Ethyl-5-methyl-2-(p-tolyl)perhydropyrrolo-[3,4-a]pyrrole-1,3-dione"	C16H20N2O2	 MF: 584	 RMF: 911	 Prob 7.05%		 Lib: w9n11	 ID: 387686.	"Hit 3 : 3a,4-trans-(3aR(*),6aS(*))-4-Ethyl-5-methyl-2-(p-tolyl)perhydropyrrolo[3,4-a]pyrrole-1,3-dione"	C16H20N2O2	 MF: 545	 RMF: 916	 Prob 1.66%		 Lib: w9n11	 ID: 387687.	3667	15071	2095	14902	10223	6438	14529	11435	29338	500	3082	38167	5146	11.84038455	13.87948753	11.03273453	13.86321835	13.31953101	12.65239686	13.82664779	13.48116875	14.8404829	8.965784285	11.58965115	15.22003817	12.32923574	12.25086887	13.27838207	14.04943315	0.92261759	0.145144229	0	0	0	0	0.871983143	0.145144229	0	1	0	1	1	black	black
met561	11475	1	41	12258	41.158001	135.085251	-1210	Hit 1 : (3RS)-3-Dimethyl(phenyl)silylbutanoic acid	C12H18O2Si	 MF: 589	 RMF: 874	 Prob 47.4%		 Lib: w9n11	 ID: 242769.	"Hit 2 : 4-(N,N-Diethylaminomethyl)-2,5-dimethylphenol"	C13H21NO	 MF: 560	 RMF: 842	 Prob 13.4%		 Lib: w9n11	 ID: 201504.	Hit 3 : 3-Hydroxyiminobutanoic Acid N-(6'-Methylpyridyl-2')amide	C10H13N3O2	 MF: 552	 RMF: 834	 Prob 10.0%		 Lib: w9n11	 ID: 200460.	500	23313	11910	363936	500	500	500	500	500	500	500	500	500	8.965784285	14.50884705	13.53988579	18.47332524	8.965784285	8.965784285	8.965784285	8.965784285	8.965784285	8.965784285	8.965784285	8.965784285	8.965784285	12.33817237	12.1349646	8.965784285	1.016745642	0.122883287	0	0	0	0	1.376139776	0.122883287	1	0	0	1	1	black	black
met562	25759	1	67	12262	41.171001	57.069778	-142	"Hit 1 : 4,6-Dimethoxy-3-phenyl-2-indolylbenzofuran"	C24H19NO3	 MF: 768	 RMF: 768	 Prob 93.7%		 Lib: w9n11	 ID: 625179.	"Hit 2 : 1,2-Dihydro-1-methyl-2,4-diphenyl-6-(1-pyrrolidyl)-3H-indazol-3-one"	C24H23N3O	 MF: 646	 RMF: 646	 Prob 4.63%		 Lib: w9n11	 ID: 625195.	Hit 3 : MORPHINANEDIENONE	C22H27NO4	 MF: 598	 RMF: 598	 Prob 0.96%	 CAS: 70420-68-7	 Lib: w9n11	 ID: 624948.	13103	44391	500	500	52858	8799	29916	10578	500	500	500	29603	500	13.67760954	15.43797959	8.965784285	8.965784285	15.68983422	13.10312386	14.86862967	13.36877926	8.965784285	8.965784285	8.965784285	14.85345577	8.965784285	12.69379114	12.58624745	12.4010644	1.008544539	0.925650481	0	0	0	0	1.023604968	0.925650481	0	0	0	0	0	black	black
met563	21171	1	50	12267	41.188	221.142044	-1774	"Hit 1 : 5-Ethyl-10,11-dihydro-5H-dibenzo[a,d]cyclohepten-5,10-imine"	C17H17N	 MF: 436	 RMF: 487	 Prob 12.8%	 CAS: 70449-99-9	 Lib: w9n11	 ID: 280963.	"Hit 2 : 11,12-Dihydroxyspirovetiva-1(10)-en-2-one"	C15H24O3	 MF: 422	 RMF: 465	 Prob 8.02%		 Lib: mainlib	 ID: 123439.	"Hit 3 : 11,12-Dihydroxyspirovetiva-1(10)-en-2-one"	C15H24O3	 MF: 422	 RMF: 465	 Prob 8.02%		 Lib: w9n11	 ID: 330141.	500	500	500	4847	711	4946	500	2619	1758	505	500	500	520	8.965784285	8.965784285	8.965784285	12.24287637	9.47370575	12.27204652	8.965784285	11.35480034	10.77971936	8.980139578	8.965784285	8.965784285	9.022367813	8.965784285	11.32954288	10.36676799	0.791363286	0.066607529	0	1	1	2	0.864858198	0.066607529	0	1	1	2	4	red	red
met564	54052	1	51	12285	41.247997	193.119278	-1421	"Hit 1 : N-ethyl-1,3-dithioisoindoline"	C10H9NS2	 MF: 591	 RMF: 679	 Prob 22.0%	 CAS: 35373-06-9	 Lib: w9n11	 ID: 200432.	Hit 2 : 4-Bromo-2-sec-butylthiazole	C7H10BrNS	 MF: 588	 RMF: 623	 Prob 19.4%		 Lib: w9n11	 ID: 232852.	Hit 3 : (+-)-trans-Propoxy-2-(hex-1-ynyl)cycloheptane	C16H28O	 MF: 569	 RMF: 762	 Prob 9.44%		 Lib: w9n11	 ID: 285021.	29970	25551	17564	24990	26120	24319	13339	11507	12564	7684	10706	8157	13341	14.87123146	14.64109214	14.10033382	14.60906328	14.67286728	14.56979629	13.70336289	13.49022414	13.61700823	12.9076418	13.38613194	12.99382294	13.70357919	14.53755247	14.61724228	13.60353175	0.994548232	0.06467017	0	0	1	1	1.068660164	0.06467017	0	0	1	1	2	black	black
met565	53309	1	117	12298	41.292	57.069664	-151	Hit 1 : Hexatriacontane (CAS)	C36H74	 MF: 896	 RMF: 898	 Prob 12.1%	 CAS: 630-06-8	 Lib: w9n11	 ID: 772632.	Hit 2 : Eicosane	C20H42	 MF: 894	 RMF: 898	 Prob 11.2%	 CAS: 112-95-8	 Lib: mainlib	 ID: 25337.	Hit 3 : Eicosane	C20H42	 MF: 894	 RMF: 898	 Prob 11.2%	 CAS: 112-95-8	 Lib: w9n11	 ID: 416885.	2680000	385793	1060000	1550000	278524	8050000	529536	12997	239044	125496	58425	228412	1220000	21.35380157	18.55746744	20.01563283	20.56383678	18.08744212	22.94055735	19.01436924	13.66589103	17.86691667	16.93728186	15.83429821	17.80127892	20.21844972	19.97563395	20.53061209	16.84905898	0.972968261	0.329994418	0	0	0	0	1.185563774	0.329994418	1	0	0	1	1	black	black
met566	24179	1	32	12316	41.352001	249.130402	125	"Hit 1 : 1-{1',1'-Dimethyl-3-[1'-(ethoxycarbonyl)ethyl]}-2-(trimethylsilyl)acetylene"	C15H24O2Si	 MF: 919	 RMF: 940	 Prob 34.8%		 Lib: w9n11	 ID: 364270.	Hit 2 : ((trimethylsilyl)ethynyl)pentafluorobenzene	C11H9F5Si	 MF: 912	 RMF: 933	 Prob 26.6%	 CAS: 52168-00-0	 Lib: w9n11	 ID: 362400.	"Hit 3 : 3-[4',6'-Diaminopyrimid-5'-yl]-4,6,6-trimethyl-1,2,3,6-tetrahydropyrimidine-2-thione"	C11H14N6S	 MF: 894	 RMF: 943	 Prob 13.7%		 Lib: w9n11	 ID: 356616.	13747	18770	7222	8256	27270	6643	59907	45844	95499	500	500	909	1369	13.74682919	14.19614103	12.8181827	13.01122726	14.73502708	12.6976192	15.87043697	15.48444531	16.54319801	8.965784285	8.965784285	9.828136484	10.41890673	13.58705098	13.48129118	15.96602676	1.007844931	0.078879129	0	0	1	1	0.850997633	0.078879129	0	1	1	2	3	black	red
met567	14764	1	44	12321	41.368999	179.106125	-752	"Hit 1 : 5-[(Hydroxyimino)methyl]-1,2,3,4,5-pentamethylcyclopentadiene"	C11H17NO	 MF: 723	 RMF: 938	 Prob 51.6%		 Lib: w9n11	 ID: 128792.	Hit 2 : 5-Amino-4-cyano-3-(3-methylaminopyopyl)pyrazole	C8H13N5	 MF: 699	 RMF: 965	 Prob 17.3%		 Lib: w9n11	 ID: 127824.	"Hit 3 : 3-(4'-Methoxyphenyl)-2,2,4-trimethylpentan-3-ol"	C15H22O2	 MF: 690	 RMF: 877	 Prob 12.5%		 Lib: w9n11	 ID: 278196.	48418	48437	32159	45419	53634	50810	29201	19625	22273	18222	20138	18045	20074	15.56325587	15.56382189	14.97293493	15.47100832	15.71086023	15.63282484	14.83373016	14.26040503	14.44300827	14.15339369	14.29763279	14.13931152	14.2930405	15.36667089	15.6048978	14.51238115	0.984733838	0.06467017	0	0	1	1	1.05886627	0.06467017	0	0	1	1	2	black	black
met568	5736	1	113	12339	41.429001	95.08448	167	Hit 1 : 3-[2-(4-Methoxyphenyl)-5-trifluoromethyloxazol-4-yl)propanol	C14H14F3NO3	 MF: 802	 RMF: 920	 Prob 97.7%		 Lib: w9n11	 ID: 467510.	Hit 2 : Coraxeniolide-B	C20H28O2	 MF: 556	 RMF: 631	 Prob 0.97%	 CAS: 80388-47-2	 Lib: w9n11	 ID: 466667.	"Hit 3 : 1-Naphthalenepropanol, ?-ethenyldecahydro-2-hydroxy-?,2,5,5,8a-pentamethyl-, [1R-[1?(R*),2?,4a?,8a?]]-"	C20H36O2	 MF: 495	 RMF: 521	 Prob 0.17%	 CAS: 515-03-7	 Lib: mainlib	 ID: 49805.	500	500	500	500	876404	500	500	500	500	11109	12588	500	500	8.965784285	8.965784285	8.965784285	8.965784285	19.74123654	8.965784285	8.965784285	8.965784285	8.965784285	13.43944133	13.61976146	8.965784285	8.965784285	8.965784285	12.5576017	8.965784285	0.713972659	0.066607529	0	1	1	2	1	0.066607529	0	0	1	1	3	red	black
met569	16367	1	75	12361	41.502998	137.126144	-1051	"Hit 1 : 2-(3-Butynyl)-6,7-(methylenedioxy)-1,2,3,4-tetrahydroisoquinoline-1,3-dione"	C14H11NO4	 MF: 538	 RMF: 764	 Prob 47.5%		 Lib: w9n11	 ID: 344013.	Hit 2 : Dimethyl 2-benzyl-2-chloromalonate	C12H13ClO4	 MF: 517	 RMF: 899	 Prob 20.2%		 Lib: w9n11	 ID: 339968.	"Hit 3 : 1,3-dimethyl-3-(3'-methylbut-2'-enyl)-1H-quinoline-2,4-dione"	C16H19NO2	 MF: 507	 RMF: 720	 Prob 14.3%		 Lib: w9n11	 ID: 344530.	5336	500	2668	500	395402	500	6639	500	500	500	500	500	500	12.38154295	8.965784285	11.38154295	8.965784285	18.59296064	8.965784285	12.69675024	8.965784285	8.965784285	8.965784285	8.965784285	8.965784285	8.965784285	10.9096234	12.17484307	10.2094396	0.89607918	0.579727602	0	1	0	1	1.068582001	0.579727602	0	0	0	0	1	black	black
met570	6111	1	30	12363	41.510002	257.772308	-464	Hit 1 : Methyl 5-Acetoxy-2-hydroxy-4-methyl-6-phenylbenzoate	C17H16O5	 MF: 685	 RMF: 685	 Prob 76.7%		 Lib: w9n11	 ID: 465317.	"Hit 2 : Benzo[1,2]phenaleno[3,4-bc]thiophene"	C18H10S	 MF: 609	 RMF: 701	 Prob 9.66%	 CAS: 82420-75-5	 Lib: w9n11	 ID: 348154.	Hit 3 : Variolin D	C12H10N4O3	 MF: 602	 RMF: 692	 Prob 7.40%		 Lib: w9n11	 ID: 345685.	500	500	500	500	500	500	2193	500	1138	541	500	500	500	8.965784285	8.965784285	8.965784285	8.965784285	8.965784285	8.965784285	11.0986901	8.965784285	10.15228484	9.079484784	8.965784285	8.965784285	8.965784285	8.965784285	8.965784285	10.07225307	1	0.075868458	0	0	1	1	0.890146844	0.075868458	0	1	1	2	3	black	red
met571	24107	1	41	12384	41.580002	127.886169	-1275	Hit 1 : 2-Phenyl-N-propyl-4-quinazolinamine	C17H17N3	 MF: 537	 RMF: 930	 Prob 50.4%	 CAS: 77651-73-1	 Lib: w9n11	 ID: 361550.	"Hit 2 : 2-Acetyl-N-butyl-3-oxo-3,4-dihydro-2H-[1,4]-benzothiazine"	C14H17NO2S	 MF: 513	 RMF: 897	 Prob 16.9%		 Lib: w9n11	 ID: 360650.	"Hit 3 : 6,7-Dimethoxy-3,5-dinitrobenzopyran-2-one"	C13H13NO5	 MF: 507	 RMF: 893	 Prob 13.3%		 Lib: w9n11	 ID: 360484.	500	500	500	500	500	500	39154	500	22018	6795	500	500	500	8.965784285	8.965784285	8.965784285	8.965784285	8.965784285	8.965784285	15.25687208	8.965784285	14.42639581	12.73025784	8.965784285	8.965784285	8.965784285	8.965784285	8.965784285	12.88301739	1	0.234919685	0	0	0	0	0.695938227	0.234919685	0	1	0	1	1	black	black
met572	50035	1	91	12389	41.597	257.229309	-1647	Hit 1 : 2-Butyl(dimethyl)silyloxytridecane	C19H42OSi	 MF: 515	 RMF: 725	 Prob 14.3%		 Lib: mainlib	 ID: 212219.	Hit 2 : 2-Butyl(dimethyl)silyloxytridecane	C19H42OSi	 MF: 515	 RMF: 725	 Prob 14.3%		 Lib: w9n11	 ID: 503388.	Hit 3 : 2-Butyl(dimethyl)silyloxytridecane	C19H42OSi	 MF: 515	 RMF: 725	 Prob 14.3%		 Lib: w9n11	 ID: 503389.	1722	500	770	8661	1510000	1178	3875	2768	3833	693	2213	4519	500	10.74986943	8.965784285	9.588714636	13.08031789	20.52611712	10.20212382	11.9199806	11.43462823	11.90425828	9.436711542	11.11178774	12.14178784	8.965784285	9.768122783	14.60285295	11.7529557	0.668918794	0.10659223	0	1	0	1	0.831120531	0.10659223	0	1	0	1	2	black	black
met573	16500	1	77	12394	41.614002	177.157181	-1275	Hit 1 : Methyl 3-diphenylphosphinoylpropionate	C16H17O3P	 MF: 528	 RMF: 894	 Prob 53.2%	 CAS: 36213-33-9	 Lib: w9n11	 ID: 432250.	Hit 2 : 5-Hydroxy-2-oxo-7-pentyl-2H-1-oxanaphthalene-3-carbonitrile	C15H15NO3	 MF: 493	 RMF: 812	 Prob 13.4%	 CAS: 81482-16-8	 Lib: w9n11	 ID: 344262.	Hit 3 : (+-)-cis-2-Diphenylphosphoryl-3-methylaziridine	C15H16NOP	 MF: 489	 RMF: 811	 Prob 11.3%		 Lib: w9n11	 ID: 344385.	5604	5730	2584	500	432004	4139	6341	2606	500	500	1868	500	5662	12.45224124	12.48431942	11.33539035	8.965784285	18.72068515	12.01506653	12.63049466	11.34762137	8.965784285	8.965784285	10.86727874	8.965784285	12.46709603	12.09065034	13.23384532	10.9813001	0.913615812	0.562871529	0	0	0	0	1.101021757	0.562871529	1	0	0	1	1	black	black
met574	16477	1	33	12399	41.631001	207.146622	-441	Hit 1 : 6-Methyl-4-isobutyl-3-cyanopyridine-2(1H)-thione	C11H14N2S	 MF: 588	 RMF: 698	 Prob 73.6%		 Lib: w9n11	 ID: 197439.	"Hit 2 : 3-METHOXY-6-BROMO-1,2,4-TRIAZINE 1-OXIDE"	C4H4BrN3O2	 MF: 487	 RMF: 611	 Prob 5.38%	 CAS: 63197-10-4	 Lib: w9n11	 ID: 194344.	Hit 3 : 4-Methoxycarbonylcinnamic acid	C11H10O4	 MF: 484	 RMF: 597	 Prob 4.75%		 Lib: w9n11	 ID: 197239.	7555	3601	4387	4973	10085	7607	5666	7021	500	3979	2825	500	3019	12.88321604	11.81418188	12.09901899	12.27990072	13.29992346	12.89311189	12.46811489	12.77746081	8.965784285	11.95819018	11.46403515	8.965784285	11.55985504	12.26547231	12.82431202	11.40378666	0.956423415	0.333873635	0	0	0	0	1.075561361	0.333873635	0	0	0	0	0	black	black
met575	1780	1	71	12436	41.755001	147.070404	-1008	"Hit 1 : 3-(4-chlorophenyl)-4,6-dimethoxy-1-(prop-2'-enyl)indole-7-carbaldehyde"	C20H18ClNO3	 MF: 624	 RMF: 649	 Prob 44.5%		 Lib: w9n11	 ID: 597493.	Hit 2 : BAICALINE	C20H21NO5	 MF: 608	 RMF: 658	 Prob 25.6%		 Lib: w9n11	 ID: 597605.	"Hit 3 : 6?-Methoxy-16?,17?-oxido-20-methyl-3?,5?-cyclopregnane-20-carboxamide"	C24H37NO3	 MF: 588	 RMF: 677	 Prob 11.7%		 Lib: w9n11	 ID: 656719.	43078	72549	37140	23933	30277	18724	42341	7479	25780	28212	35414	29687	27797	15.39466365	16.14666811	15.18068619	14.54671363	14.88593464	14.19260105	15.36976772	12.86862967	14.65396464	14.78402132	15.11203218	14.85754369	14.76264157	15.57400598	14.54174977	14.29745401	1.070985695	0.06467017	0	0	1	1	1.089285265	0.06467017	0	0	1	1	2	black	black
met576	65184	1	92	12436	41.755001	355.070099	-372	Hit 1 : TETRACOSAMETHYLCYCLODODECASILOXANE	C24H72O12Si12	 MF: 755	 RMF: 845	 Prob 59.2%	 CAS: 18919-94-3	 Lib: w9n11	 ID: 817210.	"Hit 2 : Heptasiloxane, hexadecamethyl-"	C16H48O6Si7	 MF: 692	 RMF: 728	 Prob 9.92%	 CAS: 541-01-5	 Lib: replib	 ID: 29913.	"Hit 3 : Heptasiloxane, hexadecamethyl-"	C16H48O6Si7	 MF: 692	 RMF: 728	 Prob 9.92%	 CAS: 541-01-5	 Lib: w9n11	 ID: 782552.	114136	186575	96094	73148	90899	42251	94595	58075	51881	71764	83153	76114	61836	16.80039438	17.50939616	16.55215873	16.1585308	16.4719768	15.36669787	16.52947631	15.82562963	15.66291867	16.13097269	16.34348069	16.21587422	15.91615938	16.95398309	15.99906849	16.0060082	1.059685638	0.06467017	0	0	1	1	1.05922619	0.06467017	0	0	1	1	2	black	black
met577	63586	1	73	12451	41.805	303.268951	133	"Hit 1 : N,N-Diethyl-2,4,6-trisopropylbenzamide"	C20H33NO	 MF: 927	 RMF: 981	 Prob 34.6%	 CAS: 64712-52-3	 Lib: w9n11	 ID: 474187.	"Hit 2 : Methyl 3-oxo-5-phenyl-3H-pyrrolo[2,1,5-de]quinolizin-1-carboxylate"	C19H13NO3	 MF: 912	 RMF: 966	 Prob 21.0%		 Lib: w9n11	 ID: 473970.	"Hit 3 : Methyl 5-oxo-3-phenyl-5H-pyrrolo[2,1,5-de]quinolizin-1-carboxylate"	C19H13NO3	 MF: 912	 RMF: 966	 Prob 21.0%		 Lib: w9n11	 ID: 473971.	67014	78811	17113	53059	152616	109167	109544	113143	34648	1250	33278	53795	43750	16.0321749	16.26610939	14.06280507	15.69530986	17.21954669	16.73617729	16.74115094	16.7877878	15.08048446	10.28771238	15.02228111	15.71518447	15.4169954	15.45369645	16.55034461	16.20314107	0.933738651	0.115065761	0	0	0	0	0.953746955	0.115065761	0	0	0	0	0	black	black
met578	21618	1	69	12471	41.872002	133.095001	-1709	"Hit 1 : 2-(2'-Hexylethenyl)-1,3-pyrimidine"	C12H18N2	 MF: 482	 RMF: 809	 Prob 13.5%		 Lib: w9n11	 ID: 155971.	"Hit 2 : 1-Propanone, 2-chloro-1-(2,5-dimethylphenyl)-2-methyl-"	C12H15ClO	 MF: 472	 RMF: 575	 Prob 9.54%	 CAS: 54965-52-5	 Lib: mainlib	 ID: 117379.	"Hit 3 : 1-Propanone, 2-chloro-1-(2,5-dimethylphenyl)-2-methyl-"	C12H15ClO	 MF: 472	 RMF: 575	 Prob 9.54%	 CAS: 54965-52-5	 Lib: w9n11	 ID: 209219.	12760	61048	54375	101313	285422	48195	171236	134372	181422	500	3137	10633	10245	13.63934071	15.89765641	15.73065588	16.62845978	18.12273701	15.55659586	17.38562651	17.03587302	17.46898989	8.965784285	11.61516981	13.37626108	13.32263236	15.08921767	16.76926422	17.29682981	0.899813937	0.06467017	0	1	1	2	0.872368974	0.06467017	0	1	1	2	4	red	red
met579	52172	1	157	12476	41.889	161.097794	-399	"Hit 1 : 2,6-di-tert-Butyl-4-(dimethylaminomethyl)phenol"	C17H29NO	 MF: 766	 RMF: 773	 Prob 56.3%	 CAS: 88-27-7	 Lib: replib	 ID: 29812.	"Hit 2 : 2,6-di-tert-Butyl-4-(dimethylaminomethyl)phenol"	C17H29NO	 MF: 766	 RMF: 773	 Prob 56.3%	 CAS: 88-27-7	 Lib: w9n11	 ID: 361603.	Hit 3 : Trimethyl(3-methyl-2-phenyl-2-butenyl)silane	C14H22Si	 MF: 733	 RMF: 746	 Prob 14.7%		 Lib: w9n11	 ID: 232003.	407039	412547	340221	866502	458644	321606	1440000	1090000	1760000	26725	13032	42381	500	18.63480751	18.65419896	18.37611267	19.72484355	18.80701524	18.2949348	20.45763738	20.0558967	20.747144	14.70590233	13.66977089	15.37113001	8.965784285	18.55503971	18.94226453	20.42022603	0.979557628	0.06467017	0	0	1	1	0.908659859	0.06467017	0	0	1	1	2	black	black
met580	15963	1	94	12487	41.926003	67.053848	-1210	"Hit 1 : Oxirane, hexadecyl-"	C18H36O	 MF: 659	 RMF: 669	 Prob 7.35%	 CAS: 7390-81-0	 Lib: mainlib	 ID: 51183.	"Hit 2 : Oxirane, hexadecyl-"	C18H36O	 MF: 659	 RMF: 669	 Prob 7.35%	 CAS: 7390-81-0	 Lib: w9n11	 ID: 377175.	"Hit 3 : 9-Octadecen-1-ol, (Z)-"	C18H36O	 MF: 658	 RMF: 660	 Prob 7.06%	 CAS: 143-28-2	 Lib: replib	 ID: 5107.	500	57627	26873	6480000	287290	49073	66537	44796	28533	19934	11130	41012	500	8.965784285	15.8144573	14.71386977	22.62756238	18.13214825	15.58264185	16.0218692	15.45108229	14.80034382	14.28294361	13.44216597	15.32375848	8.965784285	13.16470378	18.78078416	15.42443177	0.700966673	0.125455818	0	1	0	1	0.85349684	0.125455818	0	1	0	1	2	black	black
met581	21169	1	12	12504	41.983002	221.117798	-228	Hit 1 : 4-(3-Pyridyl)-1(2H)-phthalazinone	C13H9N3O	 MF: 793	 RMF: 935	 Prob 47.5%		 Lib: w9n11	 ID: 246641.	Hit 2 : 4-[3'-(Triethylsilyl)propyl]phenol	C15H26OSi	 MF: 764	 RMF: 906	 Prob 13.5%		 Lib: w9n11	 ID: 324632.	Hit 3 : 2-[(Benzoyl)chloromethylene]-imidazolidine	C11H11ClN2O	 MF: 693	 RMF: 813	 Prob 1.91%		 Lib: w9n11	 ID: 241827.	500	500	500	4628	500	500	500	500	500	500	500	500	500	8.965784285	8.965784285	8.965784285	12.17617315	8.965784285	8.965784285	8.965784285	8.965784285	8.965784285	8.965784285	8.965784285	8.965784285	8.965784285	8.965784285	10.03591391	8.965784285	0.893369988	0.067765474	0	1	1	2	1	0.067765474	0	0	1	1	3	red	black
met582	61071	1	44	12516	42.022999	63.943821	367	"Hit 1 : Sulfur, mol. (S8) (CAS)"	S8	 MF: 900	 RMF: 917	 Prob 68.4%	 CAS: 10544-50-0	 Lib: w9n11	 ID: 343002.	Hit 2 : Sulfur	S8	 MF: 876	 RMF: 899	 Prob 22.9%	 CAS: 7704-34-9	 Lib: w9n11	 ID: 342999.	Hit 3 : Sulfur	S8	 MF: 867	 RMF: 880	 Prob 22.9%	 CAS: 7704-34-9	 Lib: w9n11	 ID: 343000.	594025	55955	451817	500	500	500	500	7645	39096	296213	500	41094	500	19.18016412	15.77197943	18.78537903	8.965784285	8.965784285	8.965784285	8.965784285	12.90030079	15.25473339	18.17627543	8.965784285	15.32664015	8.965784285	17.91250753	8.965784285	12.37360615	1.997874024	0.070715784	1	0	1	2	1.447638409	0.070715784	1	0	1	2	4	red	red
met583	53390	1	126	12521	42.039997	57.069683	-184	Hit 1 : Pentatriacontane (CAS)	C35H72	 MF: 905	 RMF: 906	 Prob 13.7%	 CAS: 630-07-9	 Lib: w9n11	 ID: 765466.	Hit 2 : Hexatriacontane (CAS)	C36H74	 MF: 898	 RMF: 903	 Prob 10.5%	 CAS: 630-06-8	 Lib: w9n11	 ID: 772632.	Hit 3 : Heneicosane	C21H44	 MF: 897	 RMF: 902	 Prob 10.1%	 CAS: 629-94-7	 Lib: replib	 ID: 6150.	6310000	230562	3500000	3390000	460219	7880000	1590000	150055	386799	133153	51625	357269	4050000	22.58920857	17.81479523	21.73892349	21.69285384	18.81196102	22.9097642	20.60059533	17.19513187	18.56122454	17.02272541	15.65578226	18.44665121	21.94949048	20.7143091	21.13819302	18.78565058	0.979947012	0.531920454	0	0	0	0	1.102666581	0.531920454	1	0	0	1	1	black	black
met584	13935	1	78	12540	42.104	109.100548	-1774	"Hit 1 : Butanamide, N-acetyl-N-(4-hydroxyphenyl)-"	C12H15NO3	 MF: 467	 RMF: 600	 Prob 10.4%		 Lib: mainlib	 ID: 86478.	"Hit 2 : Butanamide, N-acetyl-N-(4-hydroxyphenyl)-"	C12H15NO3	 MF: 467	 RMF: 600	 Prob 10.4%		 Lib: w9n11	 ID: 239770.	Hit 3 : Diacetamate	C10H11NO3	 MF: 461	 RMF: 609	 Prob 8.20%	 CAS: 2623-33-8	 Lib: mainlib	 ID: 86481.	500	500	20863	3970000	608611	70633	17151	500	500	500	500	500	500	8.965784285	8.965784285	14.348659	21.92070758	19.21516088	16.10805475	14.06600508	8.965784285	8.965784285	8.965784285	8.965784285	8.965784285	8.965784285	10.76007586	19.08130774	10.66585788	0.563906626	0.114432631	0	1	0	1	1.008833605	0.114432631	0	0	0	0	1	black	black
met585	25710	1	49	12570	42.203999	84.08754	-367	Hit 1 : N-(p-Chlorophenyl)-[1-(t-butylsulfinyl)-2-naphthyl]methanimine	C21H20ClNOS	 MF: 614	 RMF: 614	 Prob 64.5%		 Lib: w9n11	 ID: 624663.	Hit 2 : N-METHYL-BAICALINE	C21H23NO5	 MF: 592	 RMF: 678	 Prob 25.5%		 Lib: w9n11	 ID: 624817.	"Hit 3 : 4-Hydroxybenzyl alcohol, 2TBDMS derivative"	C19H36O2Si2	 MF: 485	 RMF: 633	 Prob 1.69%		 Lib: mainlib	 ID: 196813.	2482	500	500	1100000	39633	500	500	500	6399	500	500	500	500	11.2772874	8.965784285	8.965784285	20.06907209	15.27441456	8.965784285	8.965784285	8.965784285	12.64363075	8.965784285	8.965784285	8.965784285	8.965784285	9.736285323	14.76975698	10.19173311	0.659204166	0.447523994	0	1	0	1	0.955312038	0.447523994	0	0	0	0	1	black	black
met586	6270	1	68	12614	42.352001	67.053879	-1323	"Hit 1 : 7-Amino-1,4-dimethylpyrimido[4,5-c]pyridazine-3,5-(1H,2H)-dione"	C8H9N5O2	 MF: 479	 RMF: 631	 Prob 26.7%	 CAS: 70311-96-5	 Lib: w9n11	 ID: 200152.	"Hit 2 : (R*,R*)-2-(1-(2,5-Dimethoxyphenyl)-1-methoxyethyl)-2-hydroxy-cyclobutanone"	C15H20O5	 MF: 474	 RMF: 552	 Prob 21.5%	 CAS: 72229-49-3	 Lib: w9n11	 ID: 409085.	"Hit 3 : 6H-Dibenz[b,f]oxireno[d]azepine-6-carboxamide, 1a,10b-dihydro- (CAS)"	C15H12N2O2	 MF: 460	 RMF: 692	 Prob 13.5%	 CAS: 36507-30-9	 Lib: w9n11	 ID: 329726.	500	500	500	541011	500	500	500	500	500	500	500	500	500	8.965784285	8.965784285	8.965784285	19.0452984	8.965784285	8.965784285	8.965784285	8.965784285	8.965784285	8.965784285	8.965784285	8.965784285	8.965784285	8.965784285	12.32562232	8.965784285	0.727410272	0.114432631	0	1	0	1	1	0.114432631	0	0	0	0	1	black	black
met29	49024	0.99942	63	12627	42.396	67.053864	-1844	Hit 1 : 2-Acetyl-5-(trimethylsilyl)furan	C9H14O2Si	 MF: 413	 RMF: 729	 Prob 20.3%		 Lib: w9n11	 ID: 135514.	"Hit 2 : 3-Methyl-2,5-dimethoxy-p-benzoquinone"	C9H10O4	 MF: 409	 RMF: 675	 Prob 17.2%		 Lib: w9n11	 ID: 135355.	"Hit 3 : 7,8-dimethylbenzocyclooctene"	C14H14	 MF: 391	 RMF: 659	 Prob 8.85%	 CAS: 99027-76-6	 Lib: w9n11	 ID: 137870.	500	500	500	671143	500	500	500	12824	500	12736	500	31260	500	8.965784285	8.965784285	8.965784285	19.35626067	8.965784285	8.965784285	8.965784285	13.64655871	8.965784285	13.63662462	8.965784285	14.93203016	8.965784285	8.965784285	12.42927641	10.52604243	0.721344026	0.228359401	0	1	0	1	0.851771627	0.228359401	0	1	0	1	2	black	black
met587	55513	1	29	12637	42.429001	202.077728	-298	"Hit 1 : Naphthalene, 1-phenyl- (CAS)"	C16H12	 MF: 744	 RMF: 836	 Prob 79.6%	 CAS: 605-02-7	 Lib: w9n11	 ID: 194261.	Hit 2 : Pyrene (CAS)	C16H10	 MF: 664	 RMF: 855	 Prob 8.76%	 CAS: 129-00-0	 Lib: w9n11	 ID: 188157.	"Hit 3 : 2-Bromo-5-methyl-1,4-benzoquinone"	C7H5BrO2	 MF: 659	 RMF: 752	 Prob 7.06%		 Lib: w9n11	 ID: 180158.	11553	12277	8553	15702	18398	18380	15319	12359	11136	7739	9683	12312	12562	13.49597991	13.58367045	13.06221482	13.93866071	14.16726132	14.16584915	13.9030345	13.5932744	13.4429435	12.91793144	13.24123838	13.58777752	13.61677855	13.38062173	14.09059039	13.64641746	0.949613987	0.06467017	0	0	1	1	0.980522673	0.06467017	0	0	1	1	2	black	black
met588	30091	1	110	12652	42.48	73.033974	-442	Hit 1 : Octadecanoic acid (CAS)	C18H36O2	 MF: 701	 RMF: 784	 Prob 47.5%	 CAS: 57-11-4	 Lib: w9n11	 ID: 422249.	Hit 2 : 1-(2-Hydroxyphenyl)-1-(3-isopropyl-2-hydroxyphenyl)butane	C19H24O2	 MF: 696	 RMF: 951	 Prob 38.3%		 Lib: w9n11	 ID: 422573.	Hit 3 : Octadecanoic acid	C18H36O2	 MF: 672	 RMF: 688	 Prob 47.5%	 CAS: 57-11-4	 Lib: replib	 ID: 9623.	39856	14297	500	70776	157721	500	46173	500	500	500	15287	19747	500	15.28250931	13.80342483	8.965784285	16.11097261	17.26701524	8.965784285	15.49476185	8.965784285	8.965784285	8.965784285	13.90001769	14.26934587	8.965784285	12.68390614	14.11459071	11.14211014	0.898637899	0.134213489	0	1	0	1	1.138375584	0.134213489	1	0	0	1	2	black	black
met589	58425	1	56	12677	42.563	230.108978	-984	"Hit 1 : 2-Methyl-5-bromo-4(3H)-oxo-7H-pyrazolo[3,4-d]pyrimidine"	C6H5BrN4O	 MF: 710	 RMF: 761	 Prob 25.2%		 Lib: w9n11	 ID: 259077.	"Hit 2 : 2,4-Diamino-5-bromo-7H-pyrazolo[3,4-d]pyrimidine"	C5H5BrN6	 MF: 704	 RMF: 755	 Prob 19.8%		 Lib: w9n11	 ID: 259014.	"Hit 3 : 1,1':3',1''-Terphenyl (CAS)"	C18H14	 MF: 689	 RMF: 853	 Prob 12.0%	 CAS: 92-06-8	 Lib: w9n11	 ID: 267891.	23120	15232	12297	16660	19728	11950	15039	14717	15273	6996	11215	31711	18462	14.49685378	13.89481776	13.58601878	14.02410078	14.26795708	13.544723	13.87642102	13.84519599	13.89869585	12.77231457	13.453142	14.95269575	14.17227123	13.99256344	13.94559362	13.87343762	1.003368076	0.161911092	0	0	0	0	1.008586611	0.161911092	0	0	0	0	0	black	black
met590	50242	1	29	12688	42.599998	219.178757	-1008	"Hit 1 : N,N-Bis(3,5-di-tert-butyl-4-hydroxybenzyl)ethanolamine"	C32H51NO3	 MF: 619	 RMF: 775	 Prob 26.4%		 Lib: w9n11	 ID: 767938.	"Hit 2 : 4-Acetyl-3-methyl-6-phenyl-1,2-dioxan-3-ol"	C13H16O4	 MF: 612	 RMF: 858	 Prob 20.2%		 Lib: w9n11	 ID: 282685.	"Hit 3 : 4?-Acetamido-[(?-ethoxycarbonyl)thiomethyl]-2,6-di-tert-butylphenol"	C20H31NO4S	 MF: 609	 RMF: 887	 Prob 17.8%		 Lib: w9n11	 ID: 645804.	6462	4579	5133	4222	5355	500	32527	21163	41948	500	500	3591	500	12.65776504	12.16081685	12.32558655	12.04371086	12.38667086	8.965784285	14.98935015	14.36925653	15.35631441	8.965784285	8.965784285	11.81016994	8.965784285	12.38138948	11.13205534	14.9049737	1.112228524	0.073947537	1	0	1	2	0.830688449	0.073947537	0	1	1	2	4	red	red
met591	61100	1	32	12691	42.610001	257.242004	-1709	Hit 1 : Helioporin A	C21H28O3	 MF: 488	 RMF: 671	 Prob 27.7%		 Lib: w9n11	 ID: 538554.	"Hit 2 : 2,4-Dihydro-7-methoxy-1-methyl-2-propyl-3H-pyrido[3,4-b]indole"	C16H20N2O	 MF: 478	 RMF: 589	 Prob 19.5%		 Lib: w9n11	 ID: 342153.	"Hit 3 : 11-Hydroxy[1,2,4]triazolo[5',1':2,3][1,3]thiazino[6,5-b]quinoline"	C12H8N4OS	 MF: 464	 RMF: 477	 Prob 12.2%		 Lib: w9n11	 ID: 339908.	2230	3333	10524	5957	15234	6736	4173	2315	3312	3954	500	2978	500	11.12282799	11.7026056	13.36139553	12.54037024	13.89500718	12.71767642	12.02686921	11.17679648	11.69348696	11.94909716	8.965784285	11.54012804	8.965784285	12.06227638	13.05101795	11.63238421	0.924240272	0.06467017	0	0	1	1	1.036956496	0.06467017	0	0	1	1	2	black	black
met592	53359	1	62	12707	42.664001	252.15065	-110	Hit 1 : 6-Methoxy-2-anthracenecarboxylic acid	C16H12O3	 MF: 869	 RMF: 969	 Prob 46.3%		 Lib: w9n11	 ID: 330534.	"Hit 2 : 1,7-Dimethyl-9-isopropyl-2,4,6,13-tetraoxapentacyclo[5.5.1.0(3,11).0(5,9).0(8,12)]tridecane"	C14H20O4	 MF: 856	 RMF: 957	 Prob 29.9%		 Lib: w9n11	 ID: 329505.	"Hit 3 : 9-(1'-Pyrrolidinyl)-1,2,3,4-tetrahydroacrydine"	C17H20N2	 MF: 821	 RMF: 912	 Prob 7.50%		 Lib: w9n11	 ID: 331178.	48401	48858	26635	53343	51367	27348	43475	30171	31629	32861	37494	43131	51621	15.56274923	15.57630719	14.70103566	15.70301134	15.6485542	14.73914771	15.40789841	14.88087489	14.94896032	15.00408876	15.19437213	15.39643755	15.65567047	15.28003069	15.36357108	15.07924454	0.994562437	0.06467017	0	0	1	1	1.013315399	0.06467017	0	0	1	1	2	black	black
met593	65185	1	50	12715	42.690998	355.070343	-632	Hit 1 : TETRACOSAMETHYLCYCLODODECASILOXANE	C24H72O12Si12	 MF: 737	 RMF: 809	 Prob 51.4%	 CAS: 18919-94-3	 Lib: w9n11	 ID: 817210.	"Hit 2 : Heptasiloxane, hexadecamethyl-"	C16H48O6Si7	 MF: 719	 RMF: 737	 Prob 26.5%	 CAS: 541-01-5	 Lib: replib	 ID: 29913.	"Hit 3 : Heptasiloxane, hexadecamethyl-"	C16H48O6Si7	 MF: 719	 RMF: 737	 Prob 26.5%	 CAS: 541-01-5	 Lib: w9n11	 ID: 782552.	39342	55833	60466	31480	37022	16938	48386	26811	25150	43270	41834	44890	62557	15.26378268	15.76883046	15.88383652	14.94214792	15.17609521	14.04797591	15.56230206	14.71053741	14.61827078	15.4010795	15.35238833	15.45410648	15.93288371	15.63881655	14.72207302	14.96370342	1.062270003	0.06467017	0	0	1	1	1.045116715	0.06467017	0	0	1	1	2	black	black
met594	53405	1	122	12723	42.718002	57.069649	-134	Hit 1 : Pentatriacontane (CAS)	C35H72	 MF: 907	 RMF: 908	 Prob 15.1%	 CAS: 630-07-9	 Lib: w9n11	 ID: 765466.	Hit 2 : Hexatriacontane (CAS)	C36H74	 MF: 901	 RMF: 906	 Prob 11.9%	 CAS: 630-06-8	 Lib: w9n11	 ID: 772632.	Hit 3 : Octacosane	C28H58	 MF: 889	 RMF: 892	 Prob 7.90%	 CAS: 630-02-4	 Lib: replib	 ID: 6074.	6230000	444406	7270000	3050000	1280000	7330000	2600000	518159	607991	155626	81138	393352	4190000	22.57080073	18.76151877	22.79352393	21.54037781	20.28771238	22.80538177	21.31008019	18.98303534	19.21369044	17.24772358	16.30809012	18.58546139	21.99851881	21.37528115	21.54449065	19.83560199	0.992146043	0.511508438	0	0	0	0	1.077622003	0.511508438	0	0	0	0	0	black	black
met595	19420	1	60	12729	42.737999	109.099792	-1919	"Hit 1 : 1-Naphthalenepropanol, ?-ethenyldecahydro-2-hydroxy-?,2,5,5,8a-pentamethyl-, [1R-[1?(R*),2?,4a?,8a?]]-"	C20H36O2	 MF: 380	 RMF: 396	 Prob 11.9%	 CAS: 515-03-7	 Lib: replib	 ID: 11421.	"Hit 2 : 1-Naphthalenepropanol, ?-ethenyldecahydro-2-hydroxy-?,2,5,5,8a-pentamethyl-, [1R-[1?(R*),2?,4a?,8a?]]-"	C20H36O2	 MF: 380	 RMF: 396	 Prob 11.9%	 CAS: 515-03-7	 Lib: w9n11	 ID: 487622.	Hit 3 : Sclareol (CAS)	C20H36O2	 MF: 380	 RMF: 396	 Prob 11.9%	 CAS: 515-03-7	 Lib: w9n11	 ID: 487625.	500	500	61371	159037	314676	61034	27422	500	500	500	500	500	500	8.965784285	8.965784285	15.90526947	17.27900292	18.26350762	15.89732552	14.74304618	8.965784285	8.965784285	8.965784285	8.965784285	8.965784285	8.965784285	11.27894601	17.14661202	10.89153825	0.657794438	0.136484078	0	1	0	1	1.03556961	0.136484078	0	0	0	0	1	black	black
met596	52097	1	96	12817	43.033001	109.100342	-1682	"Hit 1 : 5,6,7,8-tetrahydrothieno[2,3-b]quinoline"	C11H11NS	 MF: 398	 RMF: 671	 Prob 16.4%	 CAS: 18425-96-2	 Lib: w9n11	 ID: 152973.	"Hit 2 : 3-ethoxy-5,6-dimethyl-1H-isoindole"	C12H15NO	 MF: 381	 RMF: 663	 Prob 8.97%	 CAS: 110568-79-1	 Lib: w9n11	 ID: 153117.	Hit 3 : 3-(4-Diethylamino-2-hydroxyphenylazo)-4-hydroxybenzenesulfonic acid	C16H19N3O5S	 MF: 361	 RMF: 373	 Prob 4.08%	 CAS: 1563-01-5	 Lib: mainlib	 ID: 154553.	500	500	500	500	1420000	15855	13907	500	500	500	500	500	500	8.965784285	8.965784285	8.965784285	8.965784285	20.4374595	13.95265026	13.76352362	8.965784285	8.965784285	8.965784285	8.965784285	8.965784285	8.965784285	8.965784285	14.45196468	10.56503073	0.620385151	0.164608892	0	1	0	1	0.848628321	0.164608892	0	1	0	1	2	black	black
met597	59327	1	122	12831	43.080002	246.103928	-190	"Hit 1 : [1,1':3',1''-Terphenyl]-2'-ol"	C18H14O	 MF: 863	 RMF: 871	 Prob 55.8%	 CAS: 2432-11-3	 Lib: mainlib	 ID: 208164.	"Hit 2 : [1,1':3',1''-Terphenyl]-2'-ol"	C18H14O	 MF: 863	 RMF: 871	 Prob 55.8%	 CAS: 2432-11-3	 Lib: w9n11	 ID: 313619.	"Hit 3 : [1,1':3',1''-Terphenyl]-2'-ol"	C18H14O	 MF: 858	 RMF: 871	 Prob 55.8%	 CAS: 2432-11-3	 Lib: replib	 ID: 31066.	323791	276757	199580	316161	387515	196668	299010	211876	211591	178367	202819	247724	290069	18.30470336	18.07826028	17.60660763	18.27029989	18.56389263	17.58540271	18.18983421	17.69286065	17.69091874	17.4444892	17.62983328	17.91837412	18.1460366	17.99652376	18.13986508	17.8578712	0.992097994	0.116144065	0	0	0	0	1.007764227	0.116144065	0	0	0	0	0	black	black
met598	18975	1	47	12886	43.264999	133.098099	-1999	"Hit 1 : 10,10-DIDEUTEROTHIAXANTHENE"	C13H8D2S	 MF: 342	 RMF: 585	 Prob 12.6%	 CAS: 24624-33-7	 Lib: w9n11	 ID: 177813.	"Hit 2 : exo-11-[(E)-2'-Acetoxycyclopropyl]pentacyclo[7.3.0.0(2,7).0(3,5).0(4,8)]dodec-11-en-10-one"	C17H18O3	 MF: 335	 RMF: 595	 Prob 9.62%		 Lib: w9n11	 ID: 382381.	"Hit 3 : 2,6-Bis(chloromethyl)-4-nitrophenol"	C8H7Cl2NO3	 MF: 324	 RMF: 559	 Prob 6.60%	 CAS: 27694-52-6	 Lib: w9n11	 ID: 279299.	500	500	6021	500	500	500	500	2764	5363	500	4221	7817	500	8.965784285	8.965784285	12.5557874	8.965784285	8.965784285	8.965784285	8.965784285	11.4325419	12.38882454	8.965784285	12.04336911	12.93239932	8.965784285	10.16245199	8.965784285	10.92905024	1.133470499	0.196463366	1	0	0	1	0.929856828	0.196463366	0	0	0	0	1	black	black
met599	55252	1	150	12910	43.344997	57.069607	-134	Hit 1 : Pentatriacontane (CAS)	C35H72	 MF: 908	 RMF: 912	 Prob 15.9%	 CAS: 630-07-9	 Lib: w9n11	 ID: 765466.	Hit 2 : Hexatriacontane (CAS)	C36H74	 MF: 905	 RMF: 912	 Prob 14.0%	 CAS: 630-06-8	 Lib: w9n11	 ID: 772632.	Hit 3 : Octacosane	C28H58	 MF: 895	 RMF: 901	 Prob 9.90%	 CAS: 630-02-4	 Lib: replib	 ID: 6074.	4270000	689583	8280000	3090000	3760000	6620000	3240000	871633	1310000	154000	152915	465831	3900000	22.02580464	19.39536468	22.98119934	21.55917541	21.84230123	22.65839979	21.62756238	19.73336129	20.32113538	17.23257083	17.22237041	18.82944713	21.89504269	21.46745622	22.01995881	20.56068635	0.974909009	0.512944589	0	0	0	0	1.044102121	0.512944589	0	0	0	0	0	black	black
met600	52594	1	62	12966	43.533001	178.063477	-291	"Hit 1 : 3,5-Diphenyl-2-(3',4'-dimethoxyphenyl)-pyrrole"	C24H21NO2	 MF: 682	 RMF: 703	 Prob 67.3%		 Lib: w9n11	 ID: 598123.	"Hit 2 : 6,6-Dimethyl-9-ethoxy-10-propionyl-4-propyl-2H,6H-benzo[1,2-b:3,4:b']dipyran-2-one"	C22H26O5	 MF: 656	 RMF: 675	 Prob 20.2%		 Lib: w9n11	 ID: 627106.	Hit 3 : 2-Ethylhexyl trans-4-methoxycinnamate	C18H26O3	 MF: 554	 RMF: 817	 Prob 1.45%	 CAS: 83834-59-7	 Lib: mainlib	 ID: 165899.	47005	40300	14528	12290	80287	4522	22360	5587	8645	88075	37280	22089	14945	15.52052661	15.29849222	13.82654849	13.5851973	16.29287879	12.14274528	14.44863257	12.4478581	13.07765025	16.42644495	15.18611424	14.43104049	13.86737528	14.88185577	14.00694045	13.32471364	1.062462985	0.071499126	0	0	1	1	1.116861208	0.071499126	1	0	1	2	3	black	red
met601	65153	1	56	12967	43.535999	355.070496	-566	"Hit 1 : 3,5-Diphenyl-2-(3',4'-dimethoxyphenyl)-pyrrole"	C24H21NO2	 MF: 689	 RMF: 737	 Prob 44.0%		 Lib: w9n11	 ID: 598123.	Hit 2 : TETRACOSAMETHYLCYCLODODECASILOXANE	C24H72O12Si12	 MF: 687	 RMF: 763	 Prob 40.6%	 CAS: 18919-94-3	 Lib: w9n11	 ID: 817210.	"Hit 3 : Heptasiloxane, hexadecamethyl-"	C16H48O6Si7	 MF: 641	 RMF: 686	 Prob 8.56%	 CAS: 541-01-5	 Lib: replib	 ID: 29913.	14046	13965	35084	500	16266	13416	17391	16282	500	20554	14669	21388	40508	13.77787172	13.76952795	15.09852562	8.965784285	13.9895719	13.71166697	14.08605327	13.9909903	8.965784285	14.32713156	13.8404829	14.38451396	15.30591924	14.21530843	12.22234105	12.34760929	1.163059382	0.066766975	1	0	1	2	1.151259981	0.066766975	1	0	1	2	4	red	red
met602	59214	1	97	12976	43.567001	244.088501	-1210	Hit 1 : 4-Phenyldibenzofuran	C18H12O	 MF: 652	 RMF: 908	 Prob 14.0%		 Lib: mainlib	 ID: 207471.	Hit 2 : 4-Phenyldibenzofuran	C18H12O	 MF: 652	 RMF: 908	 Prob 14.0%		 Lib: w9n11	 ID: 308140.	Hit 3 : 6-Methylbenzo[b]fluoren-11-one	C18H12O	 MF: 645	 RMF: 819	 Prob 10.7%		 Lib: w9n11	 ID: 308145.	96879	66836	53417	74730	62334	45007	66489	55366	55937	34373	46258	68184	96605	16.56389635	16.02833777	15.70501133	16.1893999	15.92773167	15.45786178	16.02082806	15.75671268	15.77151526	15.06898815	15.49741527	16.05714562	16.55981024	16.09908182	15.85833112	15.84968533	1.015181339	0.06467017	0	0	1	1	1.015735107	0.06467017	0	0	1	1	2	black	black
met1	52214	0.731498	80	12979	43.577003	161.098129	-937	"Hit 1 : 1-phenyl-2-hydroxy-3-(ethoxycarbonyl)-1,2,3,4-tetra-hydro-?-carbolines (cis)"	C20H20N2O3	 MF: 657	 RMF: 689	 Prob 41.4%		 Lib: w9n11	 ID: 556554.	"Hit 2 : 2,6-di-tert-Butyl-4-(dimethylaminomethyl)phenol"	C17H29NO	 MF: 638	 RMF: 709	 Prob 20.1%	 CAS: 88-27-7	 Lib: replib	 ID: 29812.	"Hit 3 : 2,6-di-tert-Butyl-4-(dimethylaminomethyl)phenol"	C17H29NO	 MF: 638	 RMF: 709	 Prob 20.1%	 CAS: 88-27-7	 Lib: w9n11	 ID: 361603.	24790	25626	27337	42012	17334	18592	75716	64479	109703	500	500	4636	500	14.59747065	14.64532068	14.73856731	15.35851385	14.08131699	14.18239435	16.20831058	15.97654175	16.74324345	8.965784285	8.965784285	12.17866485	8.965784285	14.66045288	14.54074173	16.30936526	1.008232809	0.06467017	0	0	1	1	0.89889782	0.06467017	0	1	1	2	3	black	red
met603	2457	1	52	13030	43.747997	71.084755	-1302	Hit 1 : Tetracosane (CAS)	C24H50	 MF: 610	 RMF: 821	 Prob 19.1%	 CAS: 646-31-1	 Lib: w9n11	 ID: 561868.	Hit 2 : 3-Methyldocosane	C23H48	 MF: 598	 RMF: 802	 Prob 12.7%		 Lib: w9n11	 ID: 528831.	Hit 3 : Heptacosane (CAS)	C27H56	 MF: 593	 RMF: 797	 Prob 10.3%	 CAS: 593-49-7	 Lib: w9n11	 ID: 645269.	66513	500	79741	500	500	500	500	500	500	8551	500	500	500	16.02134872	8.965784285	16.28303408	8.965784285	8.965784285	8.965784285	8.965784285	8.965784285	8.965784285	13.06187743	8.965784285	8.965784285	8.965784285	13.75672236	8.965784285	8.965784285	1.534357946	0.092659881	1	0	1	2	1.534357946	0.092659881	1	0	1	2	4	red	red
met604	53163	1	48	13046	43.801003	207.034042	-1618	"Hit 1 : 3-Chloro-1,4-dimethyl-2-quinolone"	C11H10ClNO	 MF: 465	 RMF: 707	 Prob 32.1%		 Lib: w9n11	 ID: 200521.	"Hit 2 : 2,3,4,5,6-Pentafluoro-1-(cyanomethyl)benzene"	C8H2F5N	 MF: 446	 RMF: 661	 Prob 15.6%		 Lib: w9n11	 ID: 200107.	"Hit 3 : 11-Methyl-1,4-dihydroanthracen-1,4-imine"	C15H13N	 MF: 440	 RMF: 627	 Prob 12.3%	 CAS: 68438-20-0	 Lib: w9n11	 ID: 201667.	500	500	500	101494	500	500	192453	179258	500	500	500	500	500	8.965784285	8.965784285	8.965784285	16.63103492	8.965784285	8.965784285	17.55414663	17.45167798	8.965784285	8.965784285	8.965784285	8.965784285	8.965784285	8.965784285	11.52086783	14.65720297	0.778221261	0.196806277	0	1	0	1	0.611698174	0.196806277	0	1	0	1	2	black	black
met605	53395	1	142	13103	43.993	57.069592	-134	Hit 1 : Pentatriacontane (CAS)	C35H72	 MF: 903	 RMF: 907	 Prob 15.5%	 CAS: 630-07-9	 Lib: w9n11	 ID: 765466.	Hit 2 : Octacosane	C28H58	 MF: 893	 RMF: 898	 Prob 10.9%	 CAS: 630-02-4	 Lib: replib	 ID: 6074.	Hit 3 : Octacosane	C28H58	 MF: 893	 RMF: 898	 Prob 10.9%	 CAS: 630-02-4	 Lib: w9n11	 ID: 667930.	2330000	758516	7890000	2170000	3190000	4360000	2690000	738848	1180000	148192	178889	429229	2710000	21.15189852	19.53282009	22.91159387	21.04926361	21.60512499	22.0558967	21.35917474	19.49491807	20.17035543	17.17710804	17.44870515	18.71138803	21.36986142	21.19877083	21.5700951	20.34148275	0.982785228	0.341146611	0	0	0	0	1.042144818	0.341146611	0	0	0	0	0	black	black
met606	61553	1	30	13303	44.664001	207.031311	-1051	"Hit 1 : 1,1,3,3,5,5,7,7,9,9,11,11,13,13-tetradecamethylheptasiloxane"	C14H44O6Si7	 MF: 534	 RMF: 739	 Prob 58.5%	 CAS: 19095-23-9	 Lib: w9n11	 ID: 771072.	"Hit 2 : Methyl (5,6-dimethoxy-2-oxo-2,3-dihydro-1H-indol-1-yl(methyl))carbamate"	C13H16N2O5	 MF: 499	 RMF: 586	 Prob 14.7%		 Lib: w9n11	 ID: 408370.	"Hit 3 : 2-Chloro-2'-hydroxy-3',4'-dimethoxy-5'-chloromethylacetophenone"	C11H12Cl2O4	 MF: 486	 RMF: 674	 Prob 9.49%	 CAS: 76439-46-8	 Lib: w9n11	 ID: 402239.	500	500	500	500	397652	500	92464	500	500	500	500	133921	500	8.965784285	8.965784285	8.965784285	8.965784285	18.6011469	8.965784285	16.49660415	8.965784285	8.965784285	8.965784285	8.965784285	17.03102268	8.965784285	8.965784285	12.17757182	11.47605757	0.736253862	0.209222814	0	1	0	1	0.78125996	0.209222814	0	1	0	1	2	black	black
met607	53410	1	120	13324	44.734001	57.069744	-253	Hit 1 : Pentacosane	C25H52	 MF: 887	 RMF: 889	 Prob 11.1%	 CAS: 629-99-2	 Lib: replib	 ID: 6410.	Hit 2 : Pentacosane	C25H52	 MF: 887	 RMF: 889	 Prob 11.1%	 CAS: 629-99-2	 Lib: w9n11	 ID: 592462.	"Hit 3 : CELIDONIOL, DEOXYC29H60?"	MF: 886	 RMF: 888	 Prob 10.7%	 CAS: 630-03-5		 Lib: w9n11	 ID: 688155.	470187	242711	7670000	513290	745560	840007	737991	141668	224439	45612	66564	112722	574963	18.84287513	17.88887997	22.87079515	18.96941463	19.50796493	19.68004182	19.4932437	17.11215439	17.77596386	15.47712581	16.02245451	16.78240959	19.13310959	19.86751675	19.38580713	18.12712065	1.024848572	0.256071206	0	0	0	0	1.09601062	0.256071206	0	0	0	0	0	black	black
met608	12522	1	60	13376	44.909	57.069702	-1374	"Hit 1 : Z-2-(8-Chloro-1,2-dimethyl-6H-pyrrolo[3,2,1-ij]quinolin-6-ylidene)-3,3-dimethylbutanenitrile"	C19H19ClN2	 MF: 459	 RMF: 557	 Prob 32.7%	 CAS: 82842-80-6	 Lib: w9n11	 ID: 492324.	"Hit 2 : (E)-methyl 4-(3-acetyl-4-hydroxy-5-methoxy-1-oxo-1,2-dihydronaphth-2-yl)-2-butenoate"	C18H18O6	 MF: 452	 RMF: 518	 Prob 25.0%	 CAS: 83039-90-1	 Lib: w9n11	 ID: 542026.	Hit 3 : ?-Trifluoromethyl ?-(p-methoxyphenylsulfonyl propanehydroxamate	C11H12F3NO5S	 MF: 431	 RMF: 776	 Prob 10.7%		 Lib: w9n11	 ID: 533987.	500	500	1730000	500	500	145526	500	26195	31536	500	500	500	500	8.965784285	8.965784285	20.72234061	8.965784285	8.965784285	17.15091741	8.965784285	14.67700384	14.94471206	8.965784285	8.965784285	8.965784285	8.965784285	12.88463639	11.69416199	12.86250006	1.101800745	0.938698042	1	0	0	1	1.001720997	0.938698042	0	0	0	0	1	black	black
met609	62329	1	50	13407	45.013	149.023712	-138	"Hit 1 : 1,2-Benzenedicarboxylic acid, dioctyl ester (CAS)"	C24H38O4	 MF: 892	 RMF: 992	 Prob 14.9%	 CAS: 117-84-0	 Lib: w9n11	 ID: 661642.	Hit 2 : 8'-O-Ethyl-?-Alectoronic Acid	C30H36O9	 MF: 880	 RMF: 911	 Prob 9.92%		 Lib: w9n11	 ID: 785508.	"Hit 3 : Phthalic acid, octyl 2-pentyl ester"	C21H32O4	 MF: 859	 RMF: 877	 Prob 4.22%		 Lib: mainlib	 ID: 138740.	127535	221656	133490	186090	692515	122140	233381	95694	218886	91245	156726	544693	100779	16.9605337	17.75796289	17.02637215	17.50564101	19.40148579	16.89817622	17.83232759	16.54614085	17.73982016	16.47745788	17.25788501	19.0550838	16.62083552	17.24828958	17.93510101	17.37276286	0.96170574	0.196463366	0	0	0	0	0.992835147	0.196463366	0	0	0	0	0	black	black
met610	32319	1	56	14174	47.585999	57.069778	-1149	Hit 1 : Tetracosane (CAS)	C24H50	 MF: 676	 RMF: 859	 Prob 13.2%	 CAS: 646-31-1	 Lib: w9n11	 ID: 561868.	Hit 2 : Tricosane (CAS)	C23H48	 MF: 668	 RMF: 847	 Prob 9.82%	 CAS: 638-67-5	 Lib: w9n11	 ID: 528813.	Hit 3 : Docosane (CAS)	C22H46	 MF: 664	 RMF: 842	 Prob 8.30%	 CAS: 629-97-0	 Lib: w9n11	 ID: 493287.	500	1130000	500	500	60542	500	56243	14270	12915	500	500	500	500	8.965784285	20.10789134	8.965784285	8.965784285	15.88564871	8.965784285	15.77938593	13.80069771	13.65676002	8.965784285	8.965784285	8.965784285	8.965784285	12.67981997	11.27240576	14.41228122	1.124854821	0.655753645	1	0	0	1	0.879792711	0.655753645	0	1	0	1	2	black	black
met611	9830	1	68	14579	48.945	57.069733	-1067	Hit 1 : Hexacosane	C26H54	 MF: 752	 RMF: 801	 Prob 9.79%	 CAS: 630-01-3	 Lib: replib	 ID: 6416.	Hit 2 : Hexacosane	C26H54	 MF: 752	 RMF: 800	 Prob 9.79%	 CAS: 630-01-3	 Lib: w9n11	 ID: 620052.	"Hit 3 : CELIDONIOL, DEOXYC29H60?"	MF: 749	 RMF: 762	 Prob 8.65%	 CAS: 630-03-5		 Lib: w9n11	 ID: 688155.	116359	1090000	500	500	72805	500	68929	32109	8525	500	500	500	500	16.82822328	20.0558967	8.965784285	8.965784285	16.15174991	8.965784285	16.07282346	14.97069011	13.05748412	8.965784285	8.965784285	8.965784285	8.965784285	15.28330142	11.36110616	14.70033257	1.345230051	0.696266728	1	0	0	1	1.039656848	0.696266728	0	0	0	0	1	black	black
met612	830	1	43	15089	50.656002	57.069656	-625	"Hit 1 : 2-(1-Undecyl)benzene-1,3-dicarbonitrile"	C23H34O2	 MF: 763	 RMF: 894	 Prob 22.4%		 Lib: w9n11	 ID: 571081.	Hit 2 : TRICOSANE	C23H48	 MF: 745	 RMF: 766	 Prob 11.5%	 CAS: 638-67-5	 Lib: w9n11	 ID: 528802.	Hit 3 : Heneicosane (CAS)	C21H44	 MF: 740	 RMF: 811	 Prob 9.30%	 CAS: 629-94-7	 Lib: w9n11	 ID: 455763.	288586	500	500	500	500	500	500	29003	11901	500	500	500	500	18.13864179	8.965784285	8.965784285	8.965784285	8.965784285	8.965784285	8.965784285	14.82391452	13.53879518	8.965784285	8.965784285	8.965784285	8.965784285	12.02340345	8.965784285	12.44283133	1.34103198	0.341146611	1	0	0	1	0.966291605	0.341146611	0	0	0	0	1	black	black
met613	20033	1	15	15110	50.726002	207.07132	177	Hit 1 : (Z)-Ethyl 3-bromo-3-pentenoate	C7H11BrO2	 MF: 894	 RMF: 985	 Prob 76.5%		 Lib: w9n11	 ID: 196159.	Hit 2 : 4-(Chloromethyl)-3-methyl-5-phenylisoxazole	C11H10ClNO	 MF: 805	 RMF: 834	 Prob 6.60%		 Lib: w9n11	 ID: 200533.	Hit 3 : 2-(5-CHLORO-2-METHOXYPHENYL)PYRROLE	C11H10ClNO	 MF: 804	 RMF: 833	 Prob 6.35%	 CAS: 69640-07-9	 Lib: w9n11	 ID: 200519.	500	500	500	500	500	500	500	120973	500	500	500	500	500	8.965784285	8.965784285	8.965784285	8.965784285	8.965784285	8.965784285	8.965784285	16.88432556	8.965784285	8.965784285	8.965784285	8.965784285	8.965784285	8.965784285	8.965784285	11.60529804	1	0.187770452	0	0	0	0	0.772559589	0.187770452	0	1	0	1	1	black	black
