Name,SMILES,Formula,RetentionTime_min,mz,CCS_A2,AdductSpecies,Charge,InChI,InChIKey,Synonym,PubChem_CID
1-Hydroxy Ibuprofen,CC(C)C(O)C1=CC=C(C(C(O)=O)C)C=C1,C13H18O3,8.61,245.1148144,154.28,[M+Na],1,"InChI=1S/C13H18O3/c1-8(2)12(14)11-6-4-10(5-7-11)9(3)13(15)16/h4-9,12,14H,1-3H3,(H,15,16)",RMOQYHYFRKTDRI-UHFFFAOYSA-N,1-Hydroxy Ibuprofen,45117195
"10,11-Epoxycarbamazepine",O=C(N)N1C2=CC=CC=C2C3OC3C4=CC=CC=C14,C15H12N2O2,6.31,253.0971576,151.47,[M+H],1,"InChI=1S/C15H12N2O2/c16-15(18)17-11-7-3-1-5-9(11)13-14(19-13)10-6-2-4-8-12(10)17/h1-8,13-14H,(H2,16,18)",ZRWWEEVEIOGMMT-UHFFFAOYSA-N,"10,11-Epoxycarbamazepine",2555
"10,11-Epoxycarbamazepine",O=C(N)N1C2=CC=CC=C2C3OC3C4=CC=CC=C14,C15H12N2O2,6.31,275.0790976,161.52,[M+Na],1,"InChI=1S/C15H12N2O2/c16-15(18)17-11-7-3-1-5-9(11)13-14(19-13)10-6-2-4-8-12(10)17/h1-8,13-14H,(H2,16,18)",ZRWWEEVEIOGMMT-UHFFFAOYSA-N,"10,11-Epoxycarbamazepine",2555
11 ketotestosterone,O=C1[C@@]([C@](CC2)(C)C3=CC2=O)([H])[C@](CC3)([H])[C@@](CC4)([H])[C@]([C@H]4O)(C)C1,C19H26O3,8.34,303.1954747,173.68,[M+H],1,"InChI=1S/C19H26O3/c1-18-8-7-12(20)9-11(18)3-4-13-14-5-6-16(22)19(14,2)10-15(21)17(13)18/h9,13-14,16-17,22H,3-8,10H2,1-2H3/t13-,14-,16-,17+,18-,19-/m0/s1",WTPMRQZHJLJSBO-XQALERBDSA-N,11 ketotestosterone,5282365
11-Deoxycortisol,C[C@]12CCC(=O)C=C1CC[C@@H]3[C@@H]2CC[C@]4([C@H]3CC[C@@]4(C(=O)CO)O)C,C21H30O4,9.28,345.2071294,194,[M-H],-1,"InChI=1S/C21H30O4/c1-19-8-5-14(23)11-13(19)3-4-15-16(19)6-9-20(2)17(15)7-10-21(20,25)18(24)12-22/h11,15-17,22,25H,3-10,12H2,1-2H3/t15-,16+,17+,19+,20+,21+/m1/s1",WHBHBVVOGNECLV-OBQKJFGGSA-N,11-Deoxycortisol,440707
11-Deoxycortisol,C[C@]12CCC(=O)C=C1CC[C@@H]3[C@@H]2CC[C@]4([C@H]3CC[C@@]4(C(=O)CO)O)C,C21H30O4,9.28,381.1838094,193.62,[M+Cl],-1,"InChI=1S/C21H30O4/c1-19-8-5-14(23)11-13(19)3-4-15-16(19)6-9-20(2)17(15)7-10-21(20,25)18(24)12-22/h11,15-17,22,25H,3-10,12H2,1-2H3/t15-,16+,17+,19+,20+,21+/m1/s1",WHBHBVVOGNECLV-OBQKJFGGSA-N,11-Deoxycortisol,440707
11-Deoxycortisol,C[C@]12CCC(=O)C=C1CC[C@@H]3[C@@H]2CC[C@]4([C@H]3CC[C@@]4(C(=O)CO)O)C,C21H30O4,9.28,391.2126094,194.56,[M+HCOO],-1,"InChI=1S/C21H30O4/c1-19-8-5-14(23)11-13(19)3-4-15-16(19)6-9-20(2)17(15)7-10-21(20,25)18(24)12-22/h11,15-17,22,25H,3-10,12H2,1-2H3/t15-,16+,17+,19+,20+,21+/m1/s1",WHBHBVVOGNECLV-OBQKJFGGSA-N,11-Deoxycortisol,440707
11-Deoxycortisol,OCC([C@@](CC[C@]1([C@@]2(CCC3=CC(CC[C@]43C)=O)[H])[H])([C@]1(CC[C@@]24[H])C)O)=O,C21H30O4,9.28,347.2216894,187.2,[M+H],1,"InChI=1S/C21H30O4/c1-19-8-5-14(23)11-13(19)3-4-15-16(19)6-9-20(2)17(15)7-10-21(20,25)18(24)12-22/h11,15-17,22,25H,3-10,12H2,1-2H3/t15-,16+,17+,19+,20+,21+/m1/s1",WHBHBVVOGNECLV-OBQKJFGGSA-N,11-Deoxycortisol,440707
11-Ketotestosterone,C[C@]12CCC(=O)C=C1CC[C@@H]3[C@@H]2C(=O)C[C@]4([C@H]3CC[C@@H]4O)C,C19H26O3,9.28,347.1863947,184.95,[M+HCOO],-1,"InChI=1S/C19H26O3/c1-18-8-7-12(20)9-11(18)3-4-13-14-5-6-16(22)19(14,2)10-15(21)17(13)18/h9,13-14,16-17,22H,3-8,10H2,1-2H3/t13-,14-,16-,17+,18-,19-/m0/s1",WTPMRQZHJLJSBO-XQALERBDSA-N,11-Ketotestosterone,5282365
"11-beta-Hydroxy-4-androstene-3,17-dione",[C@@]12(C)C(=O)CCC1C1C([C@@H](O)C2)[C@@]2(C)CCC(=O)C=C2CC1,C19H26O3,8.64,347.1863947,183.24,[M+HCOO],-1,"InChI=1S/C19H26O3/c1-18-8-7-12(20)9-11(18)3-4-13-14-5-6-16(22)19(14,2)10-15(21)17(13)18/h9,13-15,17,21H,3-8,10H2,1-2H3/t13?,14?,15-,17?,18-,19-/m0/s1",WSCUHXPGYUMQEX-WQQSVRBHSA-N,"11-beta-Hydroxy-4-androstene-3,17-dione",59742779
"11beta-Hydroxy-4-androstene-3,17-dione",O=C1[C@]2(C)C(CC1)C3CCC([C@@](CC4)(C)C3[C@@H](O)C2)=CC4=O,C19H26O3,8.64,303.1954747,173.68,[M+H],1,"InChI=1S/C19H26O3/c1-18-8-7-12(20)9-11(18)3-4-13-14-5-6-16(22)19(14,2)10-15(21)17(13)18/h9,13-15,17,21H,3-8,10H2,1-2H3/t13?,14?,15-,17?,18-,19-/m0/s1",WSCUHXPGYUMQEX-WQQSVRBHSA-N,"11beta-Hydroxy-4-androstene-3,17-dione",59742779
15-Acetyldeoxynivalenol,O[C@H]1[C@@]2([H])O[C@@](C=C(C)C3=O)([H])[C@@]([C@@H]3O)(COC(C)=O)[C@](C1)(C)[C@@]24OC4,C17H22O7,5.05,361.125773,176.2,[M+Na],1,"InChI=1S/C17H22O7/c1-8-4-11-16(6-22-9(2)18,13(21)12(8)20)15(3)5-10(19)14(24-11)17(15)7-23-17/h4,10-11,13-14,19,21H,5-7H2,1-3H3/t10-,11-,13-,14-,15-,16-,17+/m1/s1",IDGRYIRJIFKTAN-HTJQZXIKSA-N,15-Acetyldeoxynivalenol,10382483
17 alpha Ethynylestradiol,O[C@]1(C#C)[C@](CC2)(C)[C@](CC1)([H])[C@@]3([H])[C@@]2([H])C(C=CC(O)=C4)=C4CC3,C20H24O2,9.99,279.17435,168.55,[M+H-H2O],1,"InChI=1S/C20H24O2/c1-3-20(22)11-9-18-17-6-4-13-12-14(21)5-7-15(13)16(17)8-10-19(18,20)2/h1,5,7,12,16-18,21-22H,4,6,8-11H2,2H3/t16-,17-,18+,19+,20+/m1/s1",BFPYWIDHMRZLRN-SLHNCBLASA-N,17 alpha Ethynylestradiol,5991
"17-alpha, 20-beta-dihydroxypreg-4-en-3-one",O[C@]1([C@@]2([C@H]([C@H]3[C@@H]([C@@]4(C(=CC(=O)CC4)CC3)C)CC2)CC1)C)[C@@H](O)C,C21H32O3,10.8,377.2333449,196.13,[M+HCOO],-1,"InChI=1S/C21H32O3/c1-13(22)21(24)11-8-18-16-5-4-14-12-15(23)6-9-19(14,2)17(16)7-10-20(18,21)3/h12-13,16-18,22,24H,4-11H2,1-3H3/t13-,16+,17-,18-,19-,20-,21-/m0/s1",MASCESDECGBIBB-HNXXTFFGSA-N,"17-alpha, 20-beta-dihydroxypreg-4-en-3-one",440368
"17-alpha, 20-beta-dihydroxypreg-4-en-3-one",O[C@@]1([C@H](C)O)[C@](CC2)(C)[C@](CC1)([H])[C@@](CC3)([H])[C@@]2([H])[C@](CC4)(C)C3=CC4=O,C21H32O3,10.81,333.2424249,183.46,[M+H],1,"InChI=1S/C21H32O3/c1-13(22)21(24)11-8-18-16-5-4-14-12-15(23)6-9-19(14,2)17(16)7-10-20(18,21)3/h12-13,16-18,22,24H,4-11H2,1-3H3/t13-,16+,17-,18-,19-,20-,21-/m0/s1",MASCESDECGBIBB-HNXXTFFGSA-N,"17-alpha, 20-beta-dihydroxypreg-4-en-3-one",440368
"17-alpha, 20-beta, 21-trihydroxypreg-4-en-3-one",O[C@]1([C@@]2([C@H]([C@H]3[C@@H]([C@@]4(C(=CC(=O)CC4)CC3)C)CC2)CC1)C)[C@@H](O)CO,C21H32O4,9.2,347.2227795,189.35,[M-H],-1,"InChI=1S/C21H32O4/c1-19-8-5-14(23)11-13(19)3-4-15-16(19)6-9-20(2)17(15)7-10-21(20,25)18(24)12-22/h11,15-18,22,24-25H,3-10,12H2,1-2H3/t15-,16+,17+,18+,19+,20+,21+/m1/s1",XNFSGLNHLVHCFT-MQWPULPWSA-N,"17-alpha, 20-beta, 21-trihydroxypreg-4-en-3-one",107483
"17-alpha, 20-beta, 21-trihydroxypreg-4-en-3-one",O[C@]1([C@@]2([C@H]([C@H]3[C@@H]([C@@]4(C(=CC(=O)CC4)CC3)C)CC2)CC1)C)[C@@H](O)CO,C21H32O4,9.2,383.1994595,195.41,[M+Cl],-1,"InChI=1S/C21H32O4/c1-19-8-5-14(23)11-13(19)3-4-15-16(19)6-9-20(2)17(15)7-10-21(20,25)18(24)12-22/h11,15-18,22,24-25H,3-10,12H2,1-2H3/t15-,16+,17+,18+,19+,20+,21+/m1/s1",XNFSGLNHLVHCFT-MQWPULPWSA-N,"17-alpha, 20-beta, 21-trihydroxypreg-4-en-3-one",107483
"17-alpha, 20-beta, 21-trihydroxypreg-4-en-3-one",O[C@]1([C@@]2([C@H]([C@H]3[C@@H]([C@@]4(C(=CC(=O)CC4)CC3)C)CC2)CC1)C)[C@@H](O)CO,C21H32O4,9.2,393.2282595,198.78,[M+HCOO],-1,"InChI=1S/C21H32O4/c1-19-8-5-14(23)11-13(19)3-4-15-16(19)6-9-20(2)17(15)7-10-21(20,25)18(24)12-22/h11,15-18,22,24-25H,3-10,12H2,1-2H3/t15-,16+,17+,18+,19+,20+,21+/m1/s1",XNFSGLNHLVHCFT-MQWPULPWSA-N,"17-alpha, 20-beta, 21-trihydroxypreg-4-en-3-one",107483
17-beta-Estradiol-acetate,CC(=O)OC1=CC2=C(C=C1)[C@H]3CC[C@]4([C@H]([C@@H]3CC2)CC[C@@H]4O)C,C20H26O3,9.28,313.1809147,185.16,[M-H],-1,"InChI=1S/C20H26O3/c1-12(21)23-14-4-6-15-13(11-14)3-5-17-16(15)9-10-20(2)18(17)7-8-19(20)22/h4,6,11,16-19,22H,3,5,7-10H2,1-2H3/t16-,17-,18+,19+,20+/m1/s1",FHXBMXJMKMWVRG-SLHNCBLASA-N,17-beta-Estradiol-acetate,9818306
17alpha-Boldenone,O[C@H]1[C@]2(C)[C@](CC1)([H])[C@@](CC3)([H])[C@]([C@@](C)(C=C4)C3=CC4=O)([H])CC2,C19H26O2,9.54,287.2005601,169.32,[M+H],1,"InChI=1S/C19H26O2/c1-18-9-7-13(20)11-12(18)3-4-14-15-5-6-17(21)19(15,2)10-8-16(14)18/h7,9,11,14-17,21H,3-6,8,10H2,1-2H3/t14-,15-,16-,17+,18-,19-/m0/s1",RSIHSRDYCUFFLA-KZYORJDKSA-N,17alpha-Boldenone,11875853
17alpha-Boldenone,O[C@H]1[C@]2(C)[C@](CC1)([H])[C@@](CC3)([H])[C@]([C@@](C)(C=C4)C3=CC4=O)([H])CC2,C19H26O2,9.54,309.1825001,198.17,[M+Na],1,"InChI=1S/C19H26O2/c1-18-9-7-13(20)11-12(18)3-4-14-15-5-6-17(21)19(15,2)10-8-16(14)18/h7,9,11,14-17,21H,3-6,8,10H2,1-2H3/t14-,15-,16-,17+,18-,19-/m0/s1",RSIHSRDYCUFFLA-KZYORJDKSA-N,17alpha-Boldenone,11875853
17beta-Boldenone,O[C@@H]1[C@]2(C)[C@](CC1)([H])[C@@](CC3)([H])[C@@](CC2)([H])[C@](C=C4)(C)C3=CC4=O,C19H26O2,9.86,287.2005601,171.76,[M+H],1,"InChI=1S/C19H26O2/c1-18-9-7-13(20)11-12(18)3-4-14-15-5-6-17(21)19(15,2)10-8-16(14)18/h7,9,11,14-17,21H,3-6,8,10H2,1-2H3/t14-,15-,16-,17-,18-,19-/m0/s1",RSIHSRDYCUFFLA-DYKIIFRCSA-N,17beta-Boldenone,13308
17beta-Boldenone,O[C@@H]1[C@]2(C)[C@](CC1)([H])[C@@](CC3)([H])[C@@](CC2)([H])[C@](C=C4)(C)C3=CC4=O,C19H26O2,9.86,309.1825001,200.12,[M+Na],1,"InChI=1S/C19H26O2/c1-18-9-7-13(20)11-12(18)3-4-14-15-5-6-17(21)19(15,2)10-8-16(14)18/h7,9,11,14-17,21H,3-6,8,10H2,1-2H3/t14-,15-,16-,17-,18-,19-/m0/s1",RSIHSRDYCUFFLA-DYKIIFRCSA-N,17beta-Boldenone,13308
"1R, 2S (-)-Ephedrine",OC(C1=CC=CC=C1)C(C)N([H])C,C10H15NO,1.89,166.1226441,137.61,[M+H],1,"InChI=1S/C10H15NO/c1-8(11-2)10(12)9-6-4-3-5-7-9/h3-8,10-12H,1-2H3",KWGRBVOPPLSCSI-UHFFFAOYSA-N,"1R, 2S (-)-Ephedrine",5032
"1R, 2S (-)-Ephedrine",OC(C1=CC=CC=C1)C(C)N([H])C,C10H15NO,1.89,148.1120841,133.23,[M+H-H2O],1,"InChI=1S/C10H15NO/c1-8(11-2)10(12)9-6-4-3-5-7-9/h3-8,10-12H,1-2H3",KWGRBVOPPLSCSI-UHFFFAOYSA-N,"1R, 2S (-)-Ephedrine",5032
2-Fluoro-Ketamine,FC1=C(C=CC=C1)C(C2=O)(CCCC2)NC,C13H16FNO,3.01,222.1288723,146.27,[M+H],1,"InChI=1S/C13H16FNO/c1-15-13(9-5-4-8-12(13)16)10-6-2-3-7-11(10)14/h2-3,6-7,15H,4-5,8-9H2,1H3",PHFAGYYTDLITTB-UHFFFAOYSA-N,2-Fluoro-Ketamine,13771618
2-hydroxy-terbuthylazine,O=C1N=C(N([H])C(N([H])CC)=N1)N([H])C(C)(C)C,C9H17N5O,4.31,212.1505902,153.11,[M+H],1,"InChI=1S/C9H17N5O/c1-5-10-6-11-7(13-8(15)12-6)14-9(2,3)4/h5H2,1-4H3,(H3,10,11,12,13,14,15)",OYTCZOJKXCTBHG-UHFFFAOYSA-N,2-hydroxy-terbuthylazine,135495928
2-Hydroxyatrazine,CCNc1nc([nH]c(=O)n1)NC(C)C,C8H15N5O,3.17,196.1203801,150.34,[M-H],-1,"InChI=1S/C8H15N5O/c1-4-9-6-11-7(10-5(2)3)13-8(14)12-6/h5H,4H2,1-3H3,(H3,9,10,11,12,13,14)",NFMIMWNQWAWNDW-UHFFFAOYSA-N,2-Hydroxyatrazine,135398733
2-Hydroxyatrazine,O=C1NC(NC(C)C)=NC(NCC)=N1,C8H15N5O,3.11,198.1349401,147.71,[M+H],1,"InChI=1S/C8H15N5O/c1-4-9-6-11-7(10-5(2)3)13-8(14)12-6/h5H,4H2,1-3H3,(H3,9,10,11,12,13,14)",NFMIMWNQWAWNDW-UHFFFAOYSA-N,2-Hydroxyatrazine,135398733
2-Hydroxysimazine,CCNc1[nH]c(nc(=O)n1)NCC,C7H13N5O,2.11,182.1047301,143.59,[M-H],-1,"InChI=1S/C7H13N5O/c1-3-8-5-10-6(9-4-2)12-7(13)11-5/h3-4H2,1-2H3,(H3,8,9,10,11,12,13)",YQIXRXMOJFQVBV-UHFFFAOYSA-N,2-Hydroxysimazine,135408659
2-Hydroxysimazine,O=C1N=C(N([H])CC)N([H])C(N([H])CC)=N1,C7H13N5O,2.07,184.1192901,141.28,[M+H],1,"InChI=1S/C7H13N5O/c1-3-8-5-10-6(9-4-2)12-7(13)11-5/h3-4H2,1-2H3,(H3,8,9,10,11,12,13)",YQIXRXMOJFQVBV-UHFFFAOYSA-N,2-Hydroxysimazine,135408659
2-Hydroxyterbuthylazine,O=c1nc(NC(C)(C)C)[nH]c(NCC)n1,C9H17N5O,4.38,210.1360302,155.65,[M-H],-1,"InChI=1S/C9H17N5O/c1-5-10-6-11-7(13-8(15)12-6)14-9(2,3)4/h5H2,1-4H3,(H3,10,11,12,13,14,15)",OYTCZOJKXCTBHG-UHFFFAOYSA-N,2-Hydroxyterbuthylazine,135495928
2-phenethylamine,NCCC1=CC=CC=C1,C8H11N,1.45,105.0698794,117.85,[M+H-NH3],1,"InChI=1S/C8H11N/c9-7-6-8-4-2-1-3-5-8/h1-5H,6-7,9H2",BHHGXPLMPWCGHP-UHFFFAOYSA-N,2-phenethylamine,1001
2-thiouracil,O=C1NC(NC=C1)=S,C4H4N2OS,0.91,129.0117139,119.87,[M+H],1,"InChI=1S/C4H4N2OS/c7-3-1-2-5-4(8)6-3/h1-2H,(H2,5,6,7,8)",ZEMGGZBWXRYJHK-UHFFFAOYSA-N,2-thiouracil,1269845
25-B-NBOMe,BrC1=C(C=C(C(OC)=C1)CCN([H])CC2=CC=CC=C2OC)OC,C18H22BrNO3,7.84,380.085587,180.13,[M+H],1,"InChI=1S/C18H22BrNO3/c1-21-16-7-5-4-6-14(16)12-20-9-8-13-10-18(23-3)15(19)11-17(13)22-2/h4-7,10-11,20H,8-9,12H2,1-3H3",SUXGNJVVBGJEFB-UHFFFAOYSA-N,25-B-NBOMe,9977044
25-C-NBOMe,COC1=CC=CC=C1CNCCC2=CC(OC)=C(C=C2OC)Cl,C18H22ClNO3,7.57,336.1361013,178.69,[M+H],1,"InChI=1S/C18H22ClNO3/c1-21-16-7-5-4-6-14(16)12-20-9-8-13-10-18(23-3)15(19)11-17(13)22-2/h4-7,10-11,20H,8-9,12H2,1-3H3",FJFPOGCVVLUYAQ-UHFFFAOYSA-N,25-C-NBOMe,46856354
25-I-NBOMe,IC1=C(C=C(C(OC)=C1)CCN([H])CC2=CC=CC=C2OC)OC,C18H22INO3,8.28,428.07172,182.56,[M+H],1,"InChI=1S/C18H22INO3/c1-21-16-7-5-4-6-14(16)12-20-9-8-13-10-18(23-3)15(19)11-17(13)22-2/h4-7,10-11,20H,8-9,12H2,1-3H3",ZFUOLNAKPBFDIJ-UHFFFAOYSA-N,25-I-NBOMe,10251906
25I-NBF,FC1=CC=CC=C1CNCCC2=C(OC)C=C(I)C(OC)=C2,C17H19FINO2,7.96,416.05173,179.1,[M+H],1,"InChI=1S/C17H19FINO2/c1-21-16-10-15(19)17(22-2)9-12(16)7-8-20-11-13-5-3-4-6-14(13)18/h3-6,9-10,20H,7-8,11H2,1-2H3",LPBKNBHMWRBPHT-UHFFFAOYSA-N,25I-NBF,57469209
3-Acetyldeoxynivalenol,CC1=C[C@@H]2[C@]([C@@H](C1=O)O)([C@]3(C[C@H]([C@H]([C@@]34CO4)O2)OC(=O)C)C)CO,C17H22O7,4.99,373.105953,177.98,[M+Cl],-1,"InChI=1S/C17H22O7/c1-8-4-11-16(6-18,13(21)12(8)20)15(3)5-10(23-9(2)19)14(24-11)17(15)7-22-17/h4,10-11,13-14,18,21H,5-7H2,1-3H3/t10-,11-,13-,14-,15-,16-,17+/m1/s1",ADFIQZBYNGPCGY-HTJQZXIKSA-N,3-Acetyldeoxynivalenol,5458510
3-Acetyldeoxynivalenol,CC1=C[C@@H]2[C@]([C@@H](C1=O)O)([C@]3(C[C@H]([C@H]([C@@]34CO4)O2)OC(=O)C)C)CO,C17H22O7,4.99,383.134753,179.55,[M+HCOO],-1,"InChI=1S/C17H22O7/c1-8-4-11-16(6-18,13(21)12(8)20)15(3)5-10(23-9(2)19)14(24-11)17(15)7-22-17/h4,10-11,13-14,18,21H,5-7H2,1-3H3/t10-,11-,13-,14-,15-,16-,17+/m1/s1",ADFIQZBYNGPCGY-HTJQZXIKSA-N,3-Acetyldeoxynivalenol,5458510
3-Acetyldeoxynivalenol,CC1=C[C@@H]2[C@]([C@@H](C1=O)O)([C@]3(C[C@H]([C@H]([C@@]34CO4)O2)OC(=O)C)C)CO,C17H22O7,4.96,361.125773,183.83,[M+Na],1,"InChI=1S/C17H22O7/c1-8-4-11-16(6-18,13(21)12(8)20)15(3)5-10(23-9(2)19)14(24-11)17(15)7-22-17/h4,10-11,13-14,18,21H,5-7H2,1-3H3/t10-,11-,13-,14-,15-,16-,17+/m1/s1",ADFIQZBYNGPCGY-HTJQZXIKSA-N,3-Acetyldeoxynivalenol,5458510
3-Chlorophenyldimethylurea,CNC(=O)N(C)c1cccc(c1)Cl,C9H11ClN2O,6.75,197.0487107,142.8,[M-H],-1,"InChI=1S/C9H11ClN2O/c1-11-9(13)12(2)8-5-3-4-7(10)6-8/h3-6H,1-2H3,(H,11,13)",GAPZJCHDTZNHMV-UHFFFAOYSA-N,3-Chlorophenyldimethylurea,23160208
3-FEA (3-Fluoroethamphetamine),FC1=CC=CC(CC(C)NCC)=C1,C11H16FN,3.27,182.1339577,140.14,[M+H],1,"InChI=1S/C11H16FN/c1-3-13-9(2)7-10-5-4-6-11(12)8-10/h4-6,8-9,13H,3,7H2,1-2H3",CKPWHLGHHXSVJI-UHFFFAOYSA-N,3-FEA (3-Fluoroethamphetamine),57458869
3-Hidroxyphenazepam,BrC1=CC(C(C2=CC=CC=C2Cl)=NC3O)=C(C=C1)N([H])C3=O,C15H10BrClN2O2,9.11,364.968698,167.98,[M+H],1,"InChI=1S/C15H10BrClN2O2/c16-8-5-6-12-10(7-8)13(19-15(21)14(20)18-12)9-3-1-2-4-11(9)17/h1-7,15,21H,(H,18,20)",KRJKJUWAZOWXNV-UHFFFAOYSA-N,3-Hidroxyphenazepam,125820
3-MEC (3-Methylethcathinone),CCNC(C(C1=CC=CC(C)=C1)=O)C,C12H17NO,3.7,192.1382942,147.79,[M+H],1,"InChI=1S/C12H17NO/c1-4-13-10(3)12(14)11-7-5-6-9(2)8-11/h5-8,10,13H,4H2,1-3H3",GEKLDGQKEZAPFZ-UHFFFAOYSA-N,3-MEC (3-Methylethcathinone),91696119
3-methoxymethcathinone (3-MeOMC),O=C(C(C)NC)C1=CC(OC)=CC=C1,C11H15NO2,2.39,194.1175587,146.18,[M+H],1,"InChI=1S/C11H15NO2/c1-8(12-2)11(13)9-5-4-6-10(7-9)14-3/h4-8,12H,1-3H3",VAVRRUJYUFACKA-UHFFFAOYSA-N,3-methoxymethcathinone (3-MeOMC),82281626
3-methoxymethcathinone (3-MeOMC),O=C(C(C)NC)C1=CC(OC)=CC=C1,C11H15NO2,2.39,176.1069987,135.82,[M+H-H2O],1,"InChI=1S/C11H15NO2/c1-8(12-2)11(13)9-5-4-6-10(7-9)14-3/h4-8,12H,1-3H3",VAVRRUJYUFACKA-UHFFFAOYSA-N,3-methoxymethcathinone (3-MeOMC),82281626
3-methylmethcathinone (3-MMC),CC(NC)C(C1=CC=CC(C)=C1)=O,C11H15NO,2.91,178.1226441,143.44,[M+H],1,"InChI=1S/C11H15NO/c1-8-5-4-6-10(7-8)11(13)9(2)12-3/h4-7,9,12H,1-3H3",QDNXSIYWHYGMCD-UHFFFAOYSA-N,3-methylmethcathinone (3-MMC),71741532
3-methylmethcathinone (3-MMC),CC(NC)C(C1=CC=CC(C)=C1)=O,C11H15NO,2.91,160.1120841,133.64,[M+H-H2O],1,"InChI=1S/C11H15NO/c1-8-5-4-6-10(7-8)11(13)9(2)12-3/h4-7,9,12H,1-3H3",QDNXSIYWHYGMCD-UHFFFAOYSA-N,3-methylmethcathinone (3-MMC),71741532
"3,4-dimethoxy-alpha-PVP",O=C(C(C=C1)=CC(OC)=C1OC)C(CCC)N2CCCC2,C17H25NO3,4.54,292.1907237,176.32,[M+H],1,"InChI=1S/C17H25NO3/c1-4-7-14(18-10-5-6-11-18)17(19)13-8-9-15(20-2)16(12-13)21-3/h8-9,12,14H,4-7,10-11H2,1-3H3",AGRVUDWDZKZCAA-UHFFFAOYSA-N,"3,4-dimethoxy-alpha-PVP",11493035
"3,4-Dimethylmethcathinone  ",O=C(C(C)NC)C(C=C1C)=CC=C1C,C12H17NO,4.46,192.1382942,149.27,[M+H],1,"InChI=1S/C12H17NO/c1-8-5-6-11(7-9(8)2)12(14)10(3)13-4/h5-7,10,13H,1-4H3",IBZRXTVDTGVBIS-UHFFFAOYSA-N,"3,4-Dimethylmethcathinone  ",52988261
"3,4-Dimethylmethcathinone  ",O=C(C(C)NC)C(C=C1C)=CC=C1C,C12H17NO,4.46,174.1277342,138.54,[M+H-H2O],1,"InChI=1S/C12H17NO/c1-8-5-6-11(7-9(8)2)12(14)10(3)13-4/h5-7,10,13H,1-4H3",IBZRXTVDTGVBIS-UHFFFAOYSA-N,"3,4-Dimethylmethcathinone  ",52988261
4-Acetamidoantipyrin,O=C1N(C2=CC=CC=C2)N(C)C(C)=C1N([H])C(C)=O,C13H15N3O2,3.01,246.1237067,154.06,[M+H],1,"InChI=1S/C13H15N3O2/c1-9-12(14-10(2)17)13(18)16(15(9)3)11-7-5-4-6-8-11/h4-8H,1-3H3,(H,14,17)",OIAGWXKSCXPNNZ-UHFFFAOYSA-N,4-Acetamidoantipyrin,65743
4-Acetamidoantipyrin,O=C1N(C2=CC=CC=C2)N(C)C(C)=C1N([H])C(C)=O,C13H15N3O2,3.01,268.1056467,164.17,[M+Na],1,"InChI=1S/C13H15N3O2/c1-9-12(14-10(2)17)13(18)16(15(9)3)11-7-5-4-6-8-11/h4-8H,1-3H3,(H,14,17)",OIAGWXKSCXPNNZ-UHFFFAOYSA-N,4-Acetamidoantipyrin,65743
4-Aminoantipyrine,O=C(N1C2=CC=CC=C2)C(N)=C(N1C)C,C11H13N3O,2.22,204.1131421,142.48,[M+H],1,"InChI=1S/C11H13N3O/c1-8-10(12)11(15)14(13(8)2)9-6-4-3-5-7-9/h3-7H,12H2,1-2H3",RLFWWDJHLFCNIJ-UHFFFAOYSA-N,4-Aminoantipyrine,2151
4-Aminoantipyrine,O=C(N1C2=CC=CC=C2)C(N)=C(N1C)C,C11H13N3O,2.22,226.0950821,156.8,[M+Na],1,"InChI=1S/C11H13N3O/c1-8-10(12)11(15)14(13(8)2)9-6-4-3-5-7-9/h3-7H,12H2,1-2H3",RLFWWDJHLFCNIJ-UHFFFAOYSA-N,4-Aminoantipyrine,2151
"4-Androstene-3,17-dione",O=C(CC[C@@]12C)C=C1CC[C@@]([C@@]3(CCC4=O)[H])([C@@]2(CC[C@@]34C)[H])[H],C19H26O2,9.88,287.2005601,172.5,[M+H],1,"InChI=1S/C19H26O2/c1-18-9-7-13(20)11-12(18)3-4-14-15-5-6-17(21)19(15,2)10-8-16(14)18/h11,14-16H,3-10H2,1-2H3/t14-,15-,16-,18-,19-/m0/s1",AEMFNILZOJDQLW-QAGGRKNESA-N,"4-Androstene-3,17-dione",6128
4-chloro-N-ethyl-Pentedrone,O=C(C(CCC)NCC)C1=CC=C(Cl)C=C1,C13H18ClNO,6.16,240.1149719,157.38,[M+H],1,"InChI=1S/C13H18ClNO/c1-3-5-12(15-4-2)13(16)10-6-8-11(14)9-7-10/h6-9,12,15H,3-5H2,1-2H3",LLMFEBDJULISOC-UHFFFAOYSA-N,4-chloro-N-ethyl-Pentedrone,137331638
4-chloro-alpha-PPP,ClC1=CC=C(C=C1)C(C(N2CCCC2)C)=O,C13H16ClNO,4.02,238.0993218,154.4,[M+H],1,"InChI=1S/C13H16ClNO/c1-10(15-8-2-3-9-15)13(16)11-4-6-12(14)7-5-11/h4-7,10H,2-3,8-9H2,1H3",ULRSISQFKHWZNP-UHFFFAOYSA-N,4-chloro-alpha-PPP,43227582
4-Chlorobenzoic acid,c1cc(ccc1C(=O)O)Cl,C7H5ClO2,8.09,154.9905271,127.6,[M-H],-1,"InChI=1S/C7H5ClO2/c8-6-3-1-5(2-4-6)7(9)10/h1-4H,(H,9,10)",XRHGYUZYPHTUJZ-UHFFFAOYSA-N,4-Chlorobenzoic acid,6318
4-Chloromandelic acid,c1cc(ccc1C(C(=O)O)O)Cl,C8H7ClO3,4.88,185.0010918,135.63,[M-H],-1,"InChI=1S/C8H7ClO3/c9-6-3-1-5(2-4-6)7(10)8(11)12/h1-4,7,10H,(H,11,12)",BWSFWXSSALIZAU-UHFFFAOYSA-N,4-Chloromandelic acid,10299
4-Cl-PVP (4-Chloro-alpha-pyrrolidinovalerophenone),O=C(C(CCC)N1CCCC1)C2=CC=C(Cl)C=C2,C15H20ClNO,6.18,266.130622,164.21,[M+H],1,"InChI=1S/C15H20ClNO/c1-2-5-14(17-10-3-4-11-17)15(18)12-6-8-13(16)9-7-12/h6-9,14H,2-5,10-11H2,1H3",NIGBFBTVONRYQN-UHFFFAOYSA-N,4-Cl-PVP (4-Chloro-alpha-pyrrolidinovalerophenone),69245309
4-F-PHP (4-Fluoro-alpha-pyrrolidinohexiophenone),CCCCC(N1CCCC1)C(C2=CC=C(F)C=C2)=O,C16H22FNO,6.03,264.1758225,164.16,[M+H],1,"InChI=1S/C16H22FNO/c1-2-3-6-15(18-11-4-5-12-18)16(19)13-7-9-14(17)10-8-13/h7-10,15H,2-6,11-12H2,1H3",BCJXLSGKMNRRKO-UHFFFAOYSA-N,4-F-PHP (4-Fluoro-alpha-pyrrolidinohexiophenone),132989300
4-Fluoro-IPV (4-fluoro-N-Isopropyl-Pentedrone),FC1=CC=C(C(C(CCC)NC(C)C)=O)C=C1,C14H20FNO,5.08,238.1601724,157.16,[M+H],1,"InChI=1S/C14H20FNO/c1-4-5-13(16-10(2)3)14(17)11-6-8-12(15)9-7-11/h6-10,13,16H,4-5H2,1-3H3",OWNVSTVTZITAOJ-UHFFFAOYSA-N,4-Fluoro-IPV (4-fluoro-N-Isopropyl-Pentedrone),132989293
4-fluoro-N-ethyl-Pentedrone,O=C(C(CCC)NCC)C1=CC=C(F)C=C1,C13H18FNO,4.71,224.1445224,152.02,[M+H],1,"InChI=1S/C13H18FNO/c1-3-5-12(15-4-2)13(16)10-6-8-11(14)9-7-10/h6-9,12,15H,3-5H2,1-2H3",LLAXCQLLQTXLNT-UHFFFAOYSA-N,4-fluoro-N-ethyl-Pentedrone,129844564
4-Fluoro-Pentedrone,CCCC(NC)C(C1=CC=C(F)C=C1)=O,C12H16FNO,4.43,210.1288723,148.41,[M+H],1,"InChI=1S/C12H16FNO/c1-3-4-11(14-2)12(15)9-5-7-10(13)8-6-9/h5-8,11,14H,3-4H2,1-2H3",QBFXBDUCRNGHSA-UHFFFAOYSA-N,4-Fluoro-Pentedrone,132278123
4-fluoromethcathinone (4-FMC),CC(NC)C(C1=CC=C(F)C=C1)=O,C10H12FNO,2.15,182.0975722,139.33,[M+H],1,"InChI=1S/C10H12FNO/c1-7(12-2)10(13)8-3-5-9(11)6-4-8/h3-7,12H,1-2H3",MWKQPIROPJSFRI-UHFFFAOYSA-N,4-fluoromethcathinone (4-FMC),49853406
4-fluoromethcathinone (4-FMC),CC(NC)C(C1=CC=C(F)C=C1)=O,C10H12FNO,2.15,164.0870122,130.12,[M+H-H2O],1,"InChI=1S/C10H12FNO/c1-7(12-2)10(13)8-3-5-9(11)6-4-8/h3-7,12H,1-2H3",MWKQPIROPJSFRI-UHFFFAOYSA-N,4-fluoromethcathinone (4-FMC),49853406
4-FMA (4-Fluoromethamphetamine),FC1=CC=C(C=C1)CC(C)N([H])C,C10H14FN,2.82,168.1183076,137.11,[M+H],1,"InChI=1S/C10H14FN/c1-8(12-2)7-9-3-5-10(11)6-4-9/h3-6,8,12H,7H2,1-2H3",YCWZPIHKUYZTFM-UHFFFAOYSA-N,4-FMA (4-Fluoromethamphetamine),11745017
4-formylaminoantipyrine ,O=C1N(C2=CC=CC=C2)N(C)C(C)=C1N([H])C=O,C12H13N3O2,2.89,232.1080567,147.56,[M+H],1,"InChI=1S/C12H13N3O2/c1-9-11(13-8-16)12(17)15(14(9)2)10-6-4-3-5-7-10/h3-8H,1-2H3,(H,13,16)",WSJBSKRPKADYRQ-UHFFFAOYSA-N,4-formylaminoantipyrine ,72666
4-formylaminoantipyrine ,O=C1N(C2=CC=CC=C2)N(C)C(C)=C1N([H])C=O,C12H13N3O2,2.89,254.0899967,158.06,[M+Na],1,"InChI=1S/C12H13N3O2/c1-9-11(13-8-16)12(17)15(14(9)2)10-6-4-3-5-7-10/h3-8H,1-2H3,(H,13,16)",WSJBSKRPKADYRQ-UHFFFAOYSA-N,4-formylaminoantipyrine ,72666
4-Hydroxy omeprazole sulfide,COC1=CC=C2C(N=C(SCC3=NC=C(C)C(O)=C3C)N2)=C1,C16H17N3O2S,5.3,316.111428,174.93,[M+H],1,"InChI=1S/C16H17N3O2S/c1-9-7-17-14(10(2)15(9)20)8-22-16-18-12-5-4-11(21-3)6-13(12)19-16/h4-7H,8H2,1-3H3,(H,17,20)(H,18,19)",LVUFHVGKGMRSQW-UHFFFAOYSA-N,4-Hydroxy omeprazole sulfide,54055259
4-MEAP (4-Methyl-N-ethyl-Pentedrone),CCCC(NCC)C(C1=CC=C(C)C=C1)=O,C14H21NO,5.76,220.1695943,155.95,[M+H],1,"InChI=1S/C14H21NO/c1-4-6-13(15-5-2)14(16)12-9-7-11(3)8-10-12/h7-10,13,15H,4-6H2,1-3H3",IKIANZXWCBSIGA-UHFFFAOYSA-N,4-MEAP (4-Methyl-N-ethyl-Pentedrone),205601
4-Meo-BF (4-Methoxybutyrfentanyl),CCCC(N(C1CCN(CCC2=CC=CC=C2)CC1)C3=CC=C(OC)C=C3)=O,C24H32N2O2,7.24,381.2536583,197.91,[M+H],1,"InChI=1S/C24H32N2O2/c1-3-7-24(27)26(21-10-12-23(28-2)13-11-21)22-15-18-25(19-16-22)17-14-20-8-5-4-6-9-20/h4-6,8-13,22H,3,7,14-19H2,1-2H3",FNVSEQCPMXWQKG-UHFFFAOYSA-N,4-Meo-BF (4-Methoxybutyrfentanyl),118796493
4-MeO-PV9 (4-methoxy alpha-pyrrolidinoctiophenone),O=C(C(CCCCCC)N1CCCC1)C2=CC=C(OC)C=C2,C19H30ClNO2,8.52,304.2271092,183.43,[M+H],1,"InChI=1S/C19H29NO2/c1-3-4-5-6-9-18(20-14-7-8-15-20)19(21)16-10-12-17(22-2)13-11-16/h10-13,18H,3-9,14-15H2,1-2H3",TVTBLEFOUUDRBK-UHFFFAOYSA-N,4-MeO-PV9 (4-methoxy alpha-pyrrolidinoctiophenone),102144585
"4-methoxy-N,N-Dimethylcathinone",CN(C)C(C)C(C1=CC=C(OC)C=C1)=O,C12H17NO2,3.59,208.1332088,149.44,[M+H],1,"InChI=1S/C12H17NO2/c1-9(13(2)3)12(14)10-5-7-11(15-4)8-6-10/h5-9H,1-4H3",LODCRGDBFNUJIZ-UHFFFAOYSA-N,"4-methoxy-N,N-Dimethylcathinone",43794763
4-methylethcathinone (4-MEC),O=C(C(C)NCC)C(C=C1)=CC=C1C,C12H17NO,3.62,192.1382942,146.45,[M+H],1,"InChI=1S/C12H17NO/c1-4-13-10(3)12(14)11-7-5-9(2)6-8-11/h5-8,10,13H,4H2,1-3H3",ZOXZWYWOECCBSH-UHFFFAOYSA-N,4-methylethcathinone (4-MEC),52988259
4-methylethcathinone (4-MEC),O=C(C(C)NCC)C(C=C1)=CC=C1C,C12H17NO,3.62,174.1277342,139.01,[M+H-H2O],1,"InChI=1S/C12H17NO/c1-4-13-10(3)12(14)11-7-5-9(2)6-8-11/h5-8,10,13H,4H2,1-3H3",ZOXZWYWOECCBSH-UHFFFAOYSA-N,4-methylethcathinone (4-MEC),52988259
4'-MePPP,CC1=CC=C(C(C(C)N2CCCC2)=O)C=C1,C14H19NO,3.77,218.1539442,152.79,[M+H],1,"InChI=1S/C14H19NO/c1-11-5-7-13(8-6-11)14(16)12(2)15-9-3-4-10-15/h5-8,12H,3-4,9-10H2,1-2H3",APSJUNFBAXIXLK-UHFFFAOYSA-N,4'-MePPP,6430745
5-Fluoro-ABICA,O=C(C1=CN(C2=C1C=CC=C2)CCCCCF)N[C@](C(N)=O)(C(C)C)[H],C19H26FN2O2,9.85,348.2081853,189.3,[M+H],1,"InChI=1S/C19H26FN3O2/c1-13(2)17(18(21)24)22-19(25)15-12-23(11-7-3-6-10-20)16-9-5-4-8-14(15)16/h4-5,8-9,12-13,17H,3,6-7,10-11H2,1-2H3,(H2,21,24)(H,22,25)/t17-/m0/s1",GQYZBLMAONPUNX-KRWDZBQOSA-N,5-Fluoro-ABICA,118796498
5-Fluoro-ABICA,O=C(C1=CN(C2=C1C=CC=C2)CCCCCF)N[C@](C(N)=O)(C(C)C)[H],C19H26FN2O2,9.85,331.1816353,183.88,[M+H-NH3],1,"InChI=1S/C19H26FN3O2/c1-13(2)17(18(21)24)22-19(25)15-12-23(11-7-3-6-10-20)16-9-5-4-8-14(15)16/h4-5,8-9,12-13,17H,3,6-7,10-11H2,1-2H3,(H2,21,24)(H,22,25)/t17-/m0/s1",GQYZBLMAONPUNX-KRWDZBQOSA-N,5-Fluoro-ABICA,118796498
5-Fluoro-ABICA,O=C(C1=CN(C2=C1C=CC=C2)CCCCCF)N[C@](C(N)=O)(C(C)C)[H],C19H26FN2O2,9.85,370.1901253,187.57,[M+Na],1,"InChI=1S/C19H26FN3O2/c1-13(2)17(18(21)24)22-19(25)15-12-23(11-7-3-6-10-20)16-9-5-4-8-14(15)16/h4-5,8-9,12-13,17H,3,6-7,10-11H2,1-2H3,(H2,21,24)(H,22,25)/t17-/m0/s1",GQYZBLMAONPUNX-KRWDZBQOSA-N,5-Fluoro-ABICA,118796498
5-Hydroxyomeprazole,COC1=CC2=C(N=C(S(CC3=C(C(OC)=C(C=N3)CO)C)=O)N2)C=C1,C17H19N3O4S,5.52,362.1169073,184.09,[M+H],1,"InChI=1S/C17H19N3O4S/c1-10-15(18-7-11(8-21)16(10)24-3)9-25(22)17-19-13-5-4-12(23-2)6-14(13)20-17/h4-7,21H,8-9H2,1-3H3,(H,19,20)",CMZHQFXXAAIBKE-UHFFFAOYSA-N,5-Hydroxyomeprazole,119560
"5-MDPHP (3',4'-Methylenedioxy-alpha-pyrrolidinohexiophenone)",O=C(C(CCCC)N1CCCC1)C2=CC=C(OCO3)C3=C2,C17H23NO3,5.77,290.1750736,172.65,[M+H],1,"InChI=1S/C17H23NO3/c1-2-3-6-14(18-9-4-5-10-18)17(19)13-7-8-15-16(11-13)21-12-20-15/h7-8,11,14H,2-6,9-10,12H2,1H3",OBLFRFGUZZRECT-UHFFFAOYSA-N,"5-MDPHP (3',4'-Methylenedioxy-alpha-pyrrolidinohexiophenone)",119057580
5-MeO-MiPT,COC1=CC=C(C2=C1)NC=C2CCN(C(C)C)C,C15H22N2O,3.25,247.1804933,158.29,[M+H],1,"InChI=1S/C15H22N2O/c1-11(2)17(3)8-7-12-10-16-15-6-5-13(18-4)9-14(12)15/h5-6,9-11,16H,7-8H2,1-4H3",HEDOODBJFVUQMS-UHFFFAOYSA-N,5-MeO-MiPT,2763156
"5-PPDi (3',4'-trimethylene-alpha-Pyrrolidinobutiophenone)",O=C(C(CC)N1CCCC1)C2=CC(CCC3)=C3C=C2,C17H23NO,6.36,258.1852444,167.78,[M+H],1,"InChI=1S/C17H23NO/c1-2-16(18-10-3-4-11-18)17(19)15-9-8-13-6-5-7-14(13)12-15/h8-9,12,16H,2-7,10-11H2,1H3",HLBROWUOAAQHCM-UHFFFAOYSA-N,"5-PPDi (3',4'-trimethylene-alpha-Pyrrolidinobutiophenone)",132989234
5-pregnen-3beta-ol-20-one,OC1CC2=CC[C@@]3([H])[C@@]4([H])[C@]([C@@H](C(C)=O)CC4)(C)CC[C@]3([H])[C@@]2(C)CC1,C21H32O2,12.33,299.2369503,174.96,[M+H-H2O],1,"InChI=1S/C21H32O2/c1-13(22)17-6-7-18-16-5-4-14-12-15(23)8-10-20(14,2)19(16)9-11-21(17,18)3/h4,15-19,23H,5-12H2,1-3H3/t15?,16-,17+,18-,19-,20-,21+/m0/s1",ORNBQBCIOKFOEO-OZIWPBGVSA-N,5-pregnen-3beta-ol-20-one,11823250
"5-alpha-androstan-3alpha,17beta-diol glucuronide",O([H])[C@H]1C([H])([H])C[C@]2([H])[C@]1(C([H])([H])[H])C([H])([H])C([H])([H])[C@]1([H])[C@@]3(C([H])([H])[H])C([H])C[C@H](C[C@]3([H])CC[C@]12[H])O[C@H]1[C@@H]([C@H]([C@@H]([C@@H](C(=O)O[H])O1)O[H])O[H])O[H],C25H40O8,10.66,467.2650382,224.84,[M-H],-1,"InChI=1S/C25H40O8/c1-24-9-7-13(32-23-20(29)18(27)19(28)21(33-23)22(30)31)11-12(24)3-4-14-15-5-6-17(26)25(15,2)10-8-16(14)24/h12-21,23,26-29H,3-11H2,1-2H3,(H,30,31)/t12-,13+,14-,15-,16-,17-,18-,19-,20+,21-,23+,24-,25-/m0/s1",GYNWSIBKBBWJJW-WWLGJQRMSA-N,"5-alpha-androstan-3alpha,17beta-diol glucuronide",16727166
5F-AB-PINACA,O=C(C1=NN(CCCCCF)C2=C1C=CC=C2)NC(C(C)C)C(N)=O,C18H25FN4O2,9.96,349.2034342,183.95,[M+H],1,"InChI=1S/C18H25FN4O2/c1-12(2)15(17(20)24)21-18(25)16-13-8-4-5-9-14(13)23(22-16)11-7-3-6-10-19/h4-5,8-9,12,15H,3,6-7,10-11H2,1-2H3,(H2,20,24)(H,21,25)",WCBYXIBEPFZUBG-UHFFFAOYSA-N,5F-AB-PINACA,102144602
5F-AB-PINACA,O=C(C1=NN(CCCCCF)C2=C1C=CC=C2)NC(C(C)C)C(N)=O,C18H25FN4O2,9.96,332.1768842,178.75,[M+H-NH3],1,"InChI=1S/C18H25FN4O2/c1-12(2)15(17(20)24)21-18(25)16-13-8-4-5-9-14(13)23(22-16)11-7-3-6-10-19/h4-5,8-9,12,15H,3,6-7,10-11H2,1-2H3,(H2,20,24)(H,21,25)",WCBYXIBEPFZUBG-UHFFFAOYSA-N,5F-AB-PINACA,102144602
5F-AB-PINACA,O=C(C1=NN(CCCCCF)C2=C1C=CC=C2)NC(C(C)C)C(N)=O,C18H25FN4O2,9.96,371.1853742,189.31,[M+Na],1,"InChI=1S/C18H25FN4O2/c1-12(2)15(17(20)24)21-18(25)16-13-8-4-5-9-14(13)23(22-16)11-7-3-6-10-19/h4-5,8-9,12,15H,3,6-7,10-11H2,1-2H3,(H2,20,24)(H,21,25)",WCBYXIBEPFZUBG-UHFFFAOYSA-N,5F-AB-PINACA,102144602
5F-APP-PICA (PX-1),O=C(C1=CN(CCCCCF)C2=C1C=CC=C2)NC(CC3=CC=CC=C3)C(N)=O,C23H26FN3O2,10.51,396.2081853,197.62,[M+H],1,"InChI=1S/C23H26FN3O2/c24-13-7-2-8-14-27-16-19(18-11-5-6-12-21(18)27)23(29)26-20(22(25)28)15-17-9-3-1-4-10-17/h1,3-6,9-12,16,20H,2,7-8,13-15H2,(H2,25,28)(H,26,29)",DDVANTXQCRMRFF-UHFFFAOYSA-N,5F-APP-PICA (PX-1),139593360
5F-APP-PICA (PX-1),O=C(C1=CN(CCCCCF)C2=C1C=CC=C2)NC(CC3=CC=CC=C3)C(N)=O,C23H26FN3O2,10.51,379.1816353,193.88,[M+H-NH3],1,"InChI=1S/C23H26FN3O2/c24-13-7-2-8-14-27-16-19(18-11-5-6-12-21(18)27)23(29)26-20(22(25)28)15-17-9-3-1-4-10-17/h1,3-6,9-12,16,20H,2,7-8,13-15H2,(H2,25,28)(H,26,29)",DDVANTXQCRMRFF-UHFFFAOYSA-N,5F-APP-PICA (PX-1),139593360
5F-APP-PICA (PX-1),O=C(C1=CN(CCCCCF)C2=C1C=CC=C2)NC(CC3=CC=CC=C3)C(N)=O,C23H26FN3O2,10.51,418.1901253,198.91,[M+Na],1,"InChI=1S/C23H26FN3O2/c24-13-7-2-8-14-27-16-19(18-11-5-6-12-21(18)27)23(29)26-20(22(25)28)15-17-9-3-1-4-10-17/h1,3-6,9-12,16,20H,2,7-8,13-15H2,(H2,25,28)(H,26,29)",DDVANTXQCRMRFF-UHFFFAOYSA-N,5F-APP-PICA (PX-1),139593360
5F-MDMB-PINACA (5F-ADB),O=C(C1=NN(C2=C1C=CC=C2)CCCCCF)N[C@@](C(OC)=O)(C(C)(C)C)[H],C20H28FN3O3,12.15,378.2187499,192.35,[M+H],1,"InChI=1S/C20H28FN3O3/c1-20(2,3)17(19(26)27-4)22-18(25)16-14-10-6-7-11-15(14)24(23-16)13-9-5-8-12-21/h6-7,10-11,17H,5,8-9,12-13H2,1-4H3,(H,22,25)/t17-/m0/s1",PWEKNGSNNAKWBL-KRWDZBQOSA-N,5F-MDMB-PINACA (5F-ADB),119025633
5F-MDMB-PINACA (5F-ADB),O=C(C1=NN(C2=C1C=CC=C2)CCCCCF)N[C@@](C(OC)=O)(C(C)(C)C)[H],C20H28FN3O3,12.15,400.2006899,201.23,[M+Na],1,"InChI=1S/C20H28FN3O3/c1-20(2,3)17(19(26)27-4)22-18(25)16-14-10-6-7-11-15(14)24(23-16)13-9-5-8-12-21/h6-7,10-11,17H,5,8-9,12-13H2,1-4H3,(H,22,25)/t17-/m0/s1",PWEKNGSNNAKWBL-KRWDZBQOSA-N,5F-MDMB-PINACA (5F-ADB),119025633
6-Acetil Codeina,COC1=C(O2)C([C@@]3([C@]2([H])[C@@H](OC(C)=O)C=C4)[C@]4([H])[C@H](N(C)CC3)C5)=C5C=C1,C20H23NO4,4.03,342.1699882,178.98,[M+H],1,"InChI=1S/C20H23NO4/c1-11(22)24-16-7-5-13-14-10-12-4-6-15(23-3)18-17(12)20(13,19(16)25-18)8-9-21(14)2/h4-7,13-14,16,19H,8-10H2,1-3H3/t13-,14+,16-,19-,20-/m0/s1",MFXFQKMUCYHPFQ-BKRJIHRRSA-N,6-Acetil Codeina,5486550
6-Acetil Codeina,COC1=C(O2)C([C@@]3([C@]2([H])[C@@H](OC(C)=O)C=C4)[C@]4([H])[C@H](N(C)CC3)C5)=C5C=C1,C20H23NO4,4.03,364.1519282,179.66,[M+Na],1,"InChI=1S/C20H23NO4/c1-11(22)24-16-7-5-13-14-10-12-4-6-15(23-3)18-17(12)20(13,19(16)25-18)8-9-21(14)2/h4-7,13-14,16,19H,8-10H2,1-3H3/t13-,14+,16-,19-,20-/m0/s1",MFXFQKMUCYHPFQ-BKRJIHRRSA-N,6-Acetil Codeina,5486550
6-APB (6-(2-aminopropyl)benzofuran),NC(C)CC1=CC(C=CO2)=C2C=C1,C11H13NO,4.22,159.080444,129.32,[M+H-NH3],1,"InChI=1S/C11H13NO/c1-8(12)6-9-2-3-11-10(7-9)4-5-13-11/h2-5,7-8H,6,12H2,1H3",VKUMKUZDZWHMQU-UHFFFAOYSA-N,6-APB (6-(2-aminopropyl)benzofuran),9837232
6-EAPB (N-ethyl (6-(2-aminopropyl)benzofuran)),CC(NCC)CC1=CC(C=CO2)=C2C=C1,C13H17NO,4.21,204.1382942,147.07,[M+H],1,"InChI=1S/C13H17NO/c1-3-14-10(2)8-11-4-5-13-12(9-11)6-7-15-13/h4-7,9-10,14H,3,8H2,1-2H3",ZBZDDOARNPAMSP-UHFFFAOYSA-N,6-EAPB (N-ethyl (6-(2-aminopropyl)benzofuran)),102336590
6-MAPB (N-methyl (6-(2-aminopropyl)benzofuran)),CC(NC)CC1=CC(C=CO2)=C2C=C1,C12H15NO,3.81,190.1226441,144.42,[M+H],1,"InChI=1S/C12H15NO/c1-9(13-2)7-10-3-4-12-11(8-10)5-6-14-12/h3-6,8-9,13H,7H2,1-2H3",ZOVRTIPCNFERHY-UHFFFAOYSA-N,6-MAPB (N-methyl (6-(2-aminopropyl)benzofuran)),102336592
6-MBPB ((N-methyl (6-(2-aminobutyl)benzofuran)),CNC(CC)CC1=CC(C=CO2)=C2C=C1,C13H17NO,5.21,204.1382942,150.27,[M+H],1,"InChI=1S/C13H17NO/c1-3-12(14-2)9-10-4-5-13-11(8-10)6-7-15-13/h4-8,12,14H,3,9H2,1-2H3",CTEZPBCLIKEASW-UHFFFAOYSA-N,6-MBPB ((N-methyl (6-(2-aminobutyl)benzofuran)),139033209
6-monoaceylmorphine,OC1=CC=C2C3=C1O[C@@H]([C@H]4OC(C)=O)[C@@]35[C@](C=C4)([H])[C@@H](C2)N(C)CC5,C19H21NO4,2.32,328.1543382,175.44,[M+H],1,"InChI=1S/C19H21NO4/c1-10(21)23-15-6-4-12-13-9-11-3-5-14(22)17-16(11)19(12,18(15)24-17)7-8-20(13)2/h3-6,12-13,15,18,22H,7-9H2,1-2H3/t12-,13+,15-,18-,19-/m0/s1",JJGYGPZNTOPXGV-SSTWWWIQSA-N,6-monoaceylmorphine,5462507
6-monoaceylmorphine,OC1=CC=C2C3=C1O[C@@H]([C@H]4OC(C)=O)[C@@]35[C@](C=C4)([H])[C@@H](C2)N(C)CC5,C19H21NO4,2.32,350.1362782,175.48,[M+Na],1,"InChI=1S/C19H21NO4/c1-10(21)23-15-6-4-12-13-9-11-3-5-14(22)17-16(11)19(12,18(15)24-17)7-8-20(13)2/h3-6,12-13,15,18,22H,7-9H2,1-2H3/t12-,13+,15-,18-,19-/m0/s1",JJGYGPZNTOPXGV-SSTWWWIQSA-N,6-monoaceylmorphine,5462507
7-alpha-Hydroxypregnenolone,O[C@@H]1C=C2C[C@H](CC[C@]2(C)[C@@]2([H])CC[C@]3(C)[C@@H](C(C)=O)CC[C@@]3([H])[C@@]21[H])O,C21H32O3,10.8,377.2333449,196.13,[M+HCOO],-1,"InChI=1S/C21H32O3/c1-12(22)15-4-5-16-19-17(7-9-21(15,16)3)20(2)8-6-14(23)10-13(20)11-18(19)24/h11,14-19,23-24H,4-10H2,1-3H3/t14-,15+,16-,17-,18+,19-,20-,21+/m0/s1",UEWNVBNIVGLQPG-XXHSLLPRSA-N,7-alpha-Hydroxypregnenolone,9967418
AB-CHMINACA Metabolite 2,O=C(C1=NN(CC2CCCCC2)C3=C1C=CC=C3)NC(C(C)C)C(O)=O,C20H27N3O3,12.82,358.2125217,195.19,[M+H],1,"InChI=1S/C20H27N3O3/c1-13(2)17(20(25)26)21-19(24)18-15-10-6-7-11-16(15)23(22-18)12-14-8-4-3-5-9-14/h6-7,10-11,13-14,17H,3-5,8-9,12H2,1-2H3,(H,21,24)(H,25,26)",FWDOPMKLKXLVEL-UHFFFAOYSA-N,AB-CHMINACA Metabolite 2,74951976
AB-CHMINACA Metabolite 2,O=C(C1=NN(CC2CCCCC2)C3=C1C=CC=C3)NC(C(C)C)C(O)=O,C20H27N3O3,12.82,380.1944617,207.01,[M+Na],1,"InChI=1S/C20H27N3O3/c1-13(2)17(20(25)26)21-19(24)18-15-10-6-7-11-16(15)23(22-18)12-14-8-4-3-5-9-14/h6-7,10-11,13-14,17H,3-5,8-9,12H2,1-2H3,(H,21,24)(H,25,26)",FWDOPMKLKXLVEL-UHFFFAOYSA-N,AB-CHMINACA Metabolite 2,74951976
Acephate,O=P(OC)(NC(C)=O)SC,C4H10NO3PS,1.49,206.0011214,139.15,[M+Na],1,"InChI=1S/C4H10NO3PS/c1-4(6)5-9(7,8-2)10-3/h1-3H3,(H,5,6,7)",YASYVMFAVPKPKE-UHFFFAOYSA-N,Acephate,1982
Acepromazine,O=C(C)C1=CC2=C(C=C1)SC3=C(C=CC=C3)N2CCCN(C)C,C19H22N2OS,7.46,327.1525645,176.22,[M+H],1,"InChI=1S/C19H22N2OS/c1-14(22)15-9-10-19-17(13-15)21(12-6-11-20(2)3)16-7-4-5-8-18(16)23-19/h4-5,7-10,13H,6,11-12H2,1-3H3",NOSIYYJFMPDDSA-UHFFFAOYSA-N,Acepromazine,6077
Acepromazine,O=C(C)C1=CC2=C(C=C1)SC3=C(C=CC=C3)N2CCCN(C)C,C19H22N2OS,7.46,349.1345045,186.38,[M+Na],1,"InChI=1S/C19H22N2OS/c1-14(22)15-9-10-19-17(13-15)21(12-6-11-20(2)3)16-7-4-5-8-18(16)23-19/h4-5,7-10,13H,6,11-12H2,1-3H3",NOSIYYJFMPDDSA-UHFFFAOYSA-N,Acepromazine,6077
Acequinocyl,CCCCCCCCCCCCC1=C(C(=O)c2ccccc2C1=O)OC(=O)C,C24H32O4,14.29,383.2227795,208.51,[M-H],-1,"InChI=1S/C24H32O4/c1-3-4-5-6-7-8-9-10-11-12-17-21-22(26)19-15-13-14-16-20(19)23(27)24(21)28-18(2)25/h13-16H,3-12,17H2,1-2H3",QDRXWCAVUNHOGA-UHFFFAOYSA-N,Acequinocyl,93315
Acetaminophen,CC(=O)Nc1ccc(cc1)O,C8H9NO2,1.69,150.0560485,131.43,[M-H],-1,"InChI=1S/C8H9NO2/c1-6(10)9-7-2-4-8(11)5-3-7/h2-5,11H,1H3,(H,9,10)",RZVAJINKPMORJF-UHFFFAOYSA-N,Acetaminophen,1983
Acetaminophen,CC(NC1=CC=C(O)C=C1)=O,C8H9NO2,1.69,152.0706085,130.56,[M+H],1,"InChI=1S/C8H9NO2/c1-6(10)9-7-2-4-8(11)5-3-7/h2-5,11H,1H3,(H,9,10)",RZVAJINKPMORJF-UHFFFAOYSA-N,Acetaminophen,1983
Acetamiprid,C/C(=N\C#N)/N(C)Cc1ccc(nc1)Cl,C10H11ClN4,4.61,221.0599441,151.48,[M-H],-1,"InChI=1S/C10H11ClN4/c1-8(14-7-12)15(2)6-9-3-4-10(11)13-5-9/h3-5H,6H2,1-2H3/b14-8+",WCXDHFDTOYPNIE-RIYZIHGNSA-N,Acetamiprid,213021
Acetamiprid,C/C(N(CC1=CN=C(Cl)C=C1)C)=N\C#N,C10H11N4Cl,4.61,223.0745041,152.21,[M+H],1,"InChI=1S/C10H11ClN4/c1-8(14-7-12)15(2)6-9-3-4-10(11)13-5-9/h3-5H,6H2,1-2H3/b14-8+",WCXDHFDTOYPNIE-RIYZIHGNSA-N,Acetamiprid,213021
Acetamiprid,C/C(N(CC1=CN=C(Cl)C=C1)C)=N\C#N,C10H11N4Cl,4.61,245.0564441,157.86,[M+Na],1,"InChI=1S/C10H11ClN4/c1-8(14-7-12)15(2)6-9-3-4-10(11)13-5-9/h3-5H,6H2,1-2H3/b14-8+",WCXDHFDTOYPNIE-RIYZIHGNSA-N,Acetamiprid,213021
Acrinathrin,FC(F)(C(C(F)(F)F)OC(/C=C\[C@@H]1C(C)(C)[C@@H]1C(O[C@H](C#N)C2=CC(OC3=CC=CC=C3)=CC=C2)=O)=O)F,C26H21F6NO5,14.58,564.1216118,219.32,[M+Na],1,"InChI=1S/C26H21F6NO5/c1-24(2)18(11-12-20(34)38-23(25(27,28)29)26(30,31)32)21(24)22(35)37-19(14-33)15-7-6-10-17(13-15)36-16-8-4-3-5-9-16/h3-13,18-19,21,23H,1-2H3/b12-11-/t18-,19+,21-/m0/s1",YLFSVIMMRPNPFK-WEQBUNFVSA-N,Acrinathrin,6436606
Adrenosterone,O=C1[C@@]([C@](CC2)(C)C3=CC2=O)([H])[C@](CC3)([H])[C@@](CC4)([H])[C@](C4=O)(C)C1,C19H24O3,7.96,301.1798246,172.74,[M+H],1,"InChI=1S/C19H24O3/c1-18-8-7-12(20)9-11(18)3-4-13-14-5-6-16(22)19(14,2)10-15(21)17(13)18/h9,13-14,17H,3-8,10H2,1-2H3/t13-,14-,17+,18-,19-/m0/s1",RZRPTBIGEANTGU-IRIMSJTPSA-N,Adrenosterone,223997
Aflatoxin B1,COc1cc2c(c3c1c4c(c(=O)o3)C(=O)CC4)[C@@H]5C=CO[C@@H]5O2,C17H12O6,7.1,311.0561081,172.32,[M-H],-1,"InChI=1S/C17H12O6/c1-20-10-6-11-14(8-4-5-21-17(8)22-11)15-13(10)7-2-3-9(18)12(7)16(19)23-15/h4-6,8,17H,2-3H2,1H3/t8-,17+/m0/s1",OQIQSTLJSLGHID-WNWIJWBNSA-N,Aflatoxin B1,186907
Aflatoxin B1,O=C1OC2=C(C(O3)=CC(OC)=C2C(CC4)=C1C4=O)[C@@]5([H])[C@]3([H])OC=C5,C17H12O6,7.08,335.0526081,178.31,[M+Na],1,"InChI=1S/C17H12O6/c1-20-10-6-11-14(8-4-5-21-17(8)22-11)15-13(10)7-2-3-9(18)12(7)16(19)23-15/h4-6,8,17H,2-3H2,1H3/t8-,17+/m0/s1",OQIQSTLJSLGHID-WNWIJWBNSA-N,Aflatoxin B1,186907
Aflatoxin B2,COc1cc2c(c3c1c4c(c(=O)o3)C(=O)CC4)[C@@H]5CCO[C@@H]5O2,C17H14O6,6.68,313.0717582,174.42,[M-H],-1,"InChI=1S/C17H14O6/c1-20-10-6-11-14(8-4-5-21-17(8)22-11)15-13(10)7-2-3-9(18)12(7)16(19)23-15/h6,8,17H,2-5H2,1H3/t8-,17+/m0/s1",WWSYXEZEXMQWHT-WNWIJWBNSA-N,Aflatoxin B2,2724360
Aflatoxin B2,O=C1OC(C2=C3O[C@@]4([H])OCC[C@@]24[H])=C(C(OC)=C3)C(CC5)=C1C5=O,C17H14O6,6.66,337.0682582,179.79,[M+Na],1,"InChI=1S/C17H14O6/c1-20-10-6-11-14(8-4-5-21-17(8)22-11)15-13(10)7-2-3-9(18)12(7)16(19)23-15/h6,8,17H,2-5H2,1H3/t8-,17+/m0/s1",WWSYXEZEXMQWHT-WNWIJWBNSA-N,Aflatoxin B2,2724360
Aflatoxin G1,O=C1OC2=C(C3=C1C(OCC3)=O)C(OC)=CC4=C2[C@@]5([H])[C@@](OC=C5)([H])O4,C17H12O7,6.26,351.0475227,181.65,[M+Na],1,"InChI=1S/C17H12O7/c1-20-9-6-10-12(8-3-5-22-17(8)23-10)14-11(9)7-2-4-21-15(18)13(7)16(19)24-14/h3,5-6,8,17H,2,4H2,1H3/t8-,17+/m0/s1",XWIYFDMXXLINPU-WNWIJWBNSA-N,Aflatoxin G1,2724361
Aflatoxin G2,O=C1OC2=C(C3=C1C(OCC3)=O)C(OC)=CC4=C2[C@@]5([H])[C@@](OCC5)([H])O4,C17H14O7,5.81,353.0631728,183.49,[M+Na],1,"InChI=1S/C17H14O7/c1-20-9-6-10-12(8-3-5-22-17(8)23-10)14-11(9)7-2-4-21-15(18)13(7)16(19)24-14/h6,8,17H,2-5H2,1H3/t8-,17+/m0/s1",WPCVRWVBBXIRMA-WNWIJWBNSA-N,Aflatoxin G2,2724362
Aflatoxin M1,O[C@]12C(C(O3)=C(C(OC)=C4)C(CC5)=C(C5=O)C3=O)=C4O[C@@]1([H])OC=C2,C17H12O7,5.98,327.0510227,173.78,[M-H],-1,"InChI=1S/C17H12O7/c1-21-9-6-10-13(17(20)4-5-22-16(17)23-10)14-12(9)7-2-3-8(18)11(7)15(19)24-14/h4-6,16,20H,2-3H2,1H3/t16-,17-/m1/s1",MJBWDEQAUQTVKK-IAGOWNOFSA-N,Aflatoxin M1,15558498
Aflatoxin M1,O[C@]12C(C(O3)=C(C(OC)=C4)C(CC5)=C(C5=O)C3=O)=C4O[C@@]1([H])OC=C2,C17H12O7,5.95,351.0475227,181.7,[M+Na],1,"InChI=1S/C17H12O7/c1-21-9-6-10-13(17(20)4-5-22-16(17)23-10)14-12(9)7-2-3-8(18)11(7)15(19)24-14/h4-6,16,20H,2-3H2,1H3/t16-,17-/m1/s1",MJBWDEQAUQTVKK-IAGOWNOFSA-N,Aflatoxin M1,15558498
Alachlor,COCN(C(CCl)=O)C1=C(CC)C=CC=C1CC,C14H20ClNO2,11.09,270.1255366,156.41,[M+H],1,"InChI=1S/C14H20ClNO2/c1-4-11-7-6-8-12(5-2)14(11)16(10-18-3)13(17)9-15/h6-8H,4-5,9-10H2,1-3H3",XCSGPAVHZFQHGE-UHFFFAOYSA-N,Alachlor,2078
Alachlor,COCN(C(CCl)=O)C1=C(CC)C=CC=C1CC,C14H20ClNO2,11.09,292.1074766,170.33,[M+Na],1,"InChI=1S/C14H20ClNO2/c1-4-11-7-6-8-12(5-2)14(11)16(10-18-3)13(17)9-15/h6-8H,4-5,9-10H2,1-3H3",XCSGPAVHZFQHGE-UHFFFAOYSA-N,Alachlor,2078
Aldicarb,CNC(ON=CC(C)(C)SC)=O,C7H14N2O2S,5.87,213.0668189,146.86,[M+Na],1,"InChI=1S/C7H14N2O2S/c1-7(2,12-4)5-9-11-6(10)8-3/h5H,1-4H3,(H,8,10)",QGLZXHRNAYXIBU-UHFFFAOYSA-N,Aldicarb,2086
Aldicarb sulfone,CC(C)(/C=N/OC(=O)NC)S(=O)(=O)C,C7H14N2O4S,4.62,221.0601481,151.43,[M-H],-1,"InChI=1S/C7H14N2O4S/c1-7(2,14(4,11)12)5-9-13-6(10)8-3/h5H,1-4H3,(H,8,10)/b9-5+",YRRKLBAKDXSTNC-WEVVVXLNSA-N,Aldicarb sulfone,9570093
alfa-PVT (alpha-Pyrrolidinopentiothiophenone),O=C(C(CCC)N1CCCC1)C2=CC=CS2,C13H19NOS,3.45,238.1260154,154.28,[M+H],1,"InChI=1S/C13H19NOS/c1-2-6-11(14-8-3-4-9-14)13(15)12-7-5-10-16-12/h5,7,10-11H,2-4,6,8-9H2,1H3",OOSRPGUQJAKBLV-UHFFFAOYSA-N,alfa-PVT (alpha-Pyrrolidinopentiothiophenone),71721462
Alprazolam,ClC1=CC=C(C(C(C2=CC=CC=C2)=NC3)=C1)N4C3=NN=C4C,C17H13ClN4,8.88,309.0901541,171.94,[M+H],1,"InChI=1S/C17H13ClN4/c1-11-20-21-16-10-19-17(12-5-3-2-4-6-12)14-9-13(18)7-8-15(14)22(11)16/h2-9H,10H2,1H3",VREFGVBLTWBCJP-UHFFFAOYSA-N,Alprazolam,2118
Alprazolam,ClC1=CC=C(C(C(C2=CC=CC=C2)=NC3)=C1)N4C3=NN=C4C,C17H13ClN4,8.88,331.0720941,191.89,[M+Na],1,"InChI=1S/C17H13ClN4/c1-11-20-21-16-10-19-17(12-5-3-2-4-6-12)14-9-13(18)7-8-15(14)22(11)16/h2-9H,10H2,1H3",VREFGVBLTWBCJP-UHFFFAOYSA-N,Alprazolam,2118
AM-2233,IC1=CC=CC=C1C(C2=CN(C3=CC=CC=C32)CC4N(C)CCCC4)=O,C22H23IN2O,6.97,459.09279,185.33,[M+H],1,"InChI=1S/C22H23IN2O/c1-24-13-7-6-8-16(24)14-25-15-19(17-9-3-5-12-21(17)25)22(26)18-10-2-4-11-20(18)23/h2-5,9-12,15-16H,6-8,13-14H2,1H3",KSLCYQTUSSEGPT-UHFFFAOYSA-N,AM-2233,10226340
AM-2233,IC1=CC=CC=C1C(C2=CN(C3=CC=CC=C32)CC4N(C)CCCC4)=O,C22H23IN2O,6.97,481.07473,203.55,[M+Na],1,"InChI=1S/C22H23IN2O/c1-24-13-7-6-8-16(24)14-25-15-19(17-9-3-5-12-21(17)25)22(26)18-10-2-4-11-20(18)23/h2-5,9-12,15-16H,6-8,13-14H2,1H3",KSLCYQTUSSEGPT-UHFFFAOYSA-N,AM-2233,10226340
AM-694,IC1=CC=CC=C1C(C2=CN(C3=CC=CC=C32)CCCCCF)=O,C20H19FINO,11.55,436.05682,181.96,[M+H],1,"InChI=1S/C20H19FINO/c21-12-6-1-7-13-23-14-17(15-8-3-5-11-19(15)23)20(24)16-9-2-4-10-18(16)22/h2-5,8-11,14H,1,6-7,12-13H2",LFFIIZFINPPEMC-UHFFFAOYSA-N,AM-694,9889172
AM-694,IC1=CC=CC=C1C(C2=CN(C3=CC=CC=C32)CCCCCF)=O,C20H19FINO,11.55,458.03876,183.71,[M+Na],1,"InChI=1S/C20H19FINO/c21-12-6-1-7-13-23-14-17(15-8-3-5-11-19(15)23)20(24)16-9-2-4-10-18(16)22/h2-5,8-11,14H,1,6-7,12-13H2",LFFIIZFINPPEMC-UHFFFAOYSA-N,AM-694,9889172
AMB-CHIMINACA (MMB-CHMICA),CC(C)[C@@H](C(OC)=O)NC(C1=CN(CC2CCCCC2)C3=C1C=CC=C3)=O,C22H30N2O3,13.02,371.2329228,200.32,[M+H],1,"InChI=1S/C22H30N2O3/c1-15(2)20(22(26)27-3)23-21(25)18-14-24(13-16-9-5-4-6-10-16)19-12-8-7-11-17(18)19/h7-8,11-12,14-16,20H,4-6,9-10,13H2,1-3H3,(H,23,25)/t20-/m0/s1",ROWZIXRLVUOMCJ-FQEVSTJZSA-N,AMB-CHIMINACA (MMB-CHMICA),125181392
AMB-CHIMINACA (MMB-CHMICA),CC(C)[C@@H](C(OC)=O)NC(C1=CN(CC2CCCCC2)C3=C1C=CC=C3)=O,C22H30N2O3,13.02,393.2148628,212.5,[M+Na],1,"InChI=1S/C22H30N2O3/c1-15(2)20(22(26)27-3)23-21(25)18-14-24(13-16-9-5-4-6-10-16)19-12-8-7-11-17(18)19/h7-8,11-12,14-16,20H,4-6,9-10,13H2,1-3H3,(H,23,25)/t20-/m0/s1",ROWZIXRLVUOMCJ-FQEVSTJZSA-N,AMB-CHIMINACA (MMB-CHMICA),125181392
AMB-FUBINACA,O=C(C1=NN(CC2=CC=C(F)C=C2)C3=C1C=CC=C3)NC(C(C)C)C(OC)=O,C21H22FN3O3,11.92,384.1717997,195.02,[M+H],1,"InChI=1S/C21H22FN3O3/c1-13(2)18(21(27)28-3)23-20(26)19-16-6-4-5-7-17(16)25(24-19)12-14-8-10-15(22)11-9-14/h4-11,13,18H,12H2,1-3H3,(H,23,26)",FRFFLYJQPCIIQB-UHFFFAOYSA-N,AMB-FUBINACA,119058044
AMB-FUBINACA,O=C(C1=NN(CC2=CC=C(F)C=C2)C3=C1C=CC=C3)NC(C(C)C)C(OC)=O,C21H22FN3O3,11.92,406.1537397,201.65,[M+Na],1,"InChI=1S/C21H22FN3O3/c1-13(2)18(21(27)28-3)23-20(26)19-16-6-4-5-7-17(16)25(24-19)12-14-8-10-15(22)11-9-14/h4-11,13,18H,12H2,1-3H3,(H,23,26)",FRFFLYJQPCIIQB-UHFFFAOYSA-N,AMB-FUBINACA,119058044
Amidotrizoate,IC1=C(C(O)=O)C(I)=C(NC(C)=O)C(I)=C1NC(C)=O,C11H9I3N2O4,1.33,614.77692,175.26,[M+H],1,"InChI=1S/C11H9I3N2O4/c1-3(17)15-9-6(12)5(11(19)20)7(13)10(8(9)14)16-4(2)18/h1-2H3,(H,15,17)(H,16,18)(H,19,20)",YVPYQUNUQOZFHG-UHFFFAOYSA-N,Amidotrizoate,2140
Amoxicillin,CC1([C@@H](N2[C@H](S1)[C@@H](C2=O)NC(=O)[C@@H](c3ccc(cc3)O)N)C(=O)O)C,C16H19N3O5S,3.64,364.0972619,188.68,[M-H],-1,"InChI=1S/C16H19N3O5S/c1-16(2)11(15(23)24)19-13(22)10(14(19)25-16)18-12(21)9(17)7-3-5-8(20)6-4-7/h3-6,9-11,14,20H,17H2,1-2H3,(H,18,21)(H,23,24)/t9-,10-,11+,14-/m1/s1",LSQZJLSUYDQPKJ-NJBDSQKTSA-N,Amoxicillin,33613
Amoxicillin,O=C1N2[C@]([C@@H]1NC([C@@H](C(C=C3)=CC=C3O)N)=O)([H])SC(C)(C)[C@@H]2C(O)=O,C16H19N3O5S,1.37,349.0852719,191.49,[M+H-NH3],1,"InChI=1S/C16H19N3O5S/c1-16(2)11(15(23)24)19-13(22)10(14(19)25-16)18-12(21)9(17)7-3-5-8(20)6-4-7/h3-6,9-11,14,20H,17H2,1-2H3,(H,18,21)(H,23,24)/t9-,10-,11+,14-/m1/s1",LSQZJLSUYDQPKJ-NJBDSQKTSA-N,Amoxicillin,33613
AMOZ,O=C(N(C1)N([H])[H])OC1CN2CCOCC2,C8H15N3O3,0.64,202.1186214,143.68,[M+H],1,"InChI=1S/C8H15N3O3/c9-11-6-7(14-8(11)12)5-10-1-3-13-4-2-10/h7H,1-6,9H2",TVHAMVOINIHMEX-UHFFFAOYSA-N,AMOZ,3016406
AMOZ,O=C(N(C1)N([H])[H])OC1CN2CCOCC2,C8H15N3O3,0.64,224.1005614,147.66,[M+Na],1,"InChI=1S/C8H15N3O3/c9-11-6-7(14-8(11)12)5-10-1-3-13-4-2-10/h7H,1-6,9H2",TVHAMVOINIHMEX-UHFFFAOYSA-N,AMOZ,3016406
Ampicillin,O=C1N2[C@]([C@@H]1NC([C@@H](C3=CC=CC=C3)N)=O)([H])SC(C)(C)[C@@H]2C(O)=O,C16H19N3O4S,3.53,350.1169073,186.75,[M+H],1,"InChI=1S/C16H19N3O4S/c1-16(2)11(15(22)23)19-13(21)10(14(19)24-16)18-12(20)9(17)8-6-4-3-5-7-8/h3-7,9-11,14H,17H2,1-2H3,(H,18,20)(H,22,23)/t9-,10-,11+,14-/m1/s1",AVKUERGKIZMTKX-NJBDSQKTSA-N,Ampicillin,6249
Ampicillin,O=C1N2[C@]([C@@H]1NC([C@@H](C3=CC=CC=C3)N)=O)([H])SC(C)(C)[C@@H]2C(O)=O,C16H19N3O4S,3.53,372.0988473,180.93,[M+Na],1,"InChI=1S/C16H19N3O4S/c1-16(2)11(15(22)23)19-13(21)10(14(19)24-16)18-12(20)9(17)8-6-4-3-5-7-8/h3-7,9-11,14H,17H2,1-2H3,(H,18,20)(H,22,23)/t9-,10-,11+,14-/m1/s1",AVKUERGKIZMTKX-NJBDSQKTSA-N,Ampicillin,6249
Androstanolone (DHT),O=C(C[C@@H]1CC[C@H]23)CC[C@]1(C)[C@H]2CC[C@@]4(C)[C@H]3CC[C@@H]4O,C19H30O2,11.22,291.2318602,177.31,[M+H],1,"InChI=1S/C19H30O2/c1-18-9-7-13(20)11-12(18)3-4-14-15-5-6-17(21)19(15,2)10-8-16(14)18/h12,14-17,21H,3-11H2,1-2H3/t12-,14-,15-,16-,17-,18-,19-/m0/s1",NVKAWKQGWWIWPM-ABEVXSGRSA-N,Androstanolone (DHT),10635
Anhydroecgonine,OC(C1=CC[C@H]2N(C)[C@@H]1CC2)=O,C9H13NO2,0.72,168.1019087,136.14,[M+H],1,"InChI=1S/C9H13NO2/c1-10-6-2-4-7(9(11)12)8(10)5-3-6/h4,6,8H,2-3,5H2,1H3,(H,11,12)/t6-,8-/m1/s1",HZGRVVUQEIBCMS-HTRCEHHLSA-N,Anhydroecgonine,11564684
Anhydroecgonine methylester,O=C(C(C1CC2)=CCC2N1C)OC,C10H15NO2,1.08,182.1175587,141.14,[M+H],1,"InChI=1S/C10H15NO2/c1-11-7-3-5-8(10(12)13-2)9(11)6-4-7/h5,7,9H,3-4,6H2,1-2H3",MPSNEAHFGOEKBI-UHFFFAOYSA-N,Anhydroecgonine methylester,592280
Atorvastatin,CC(C)c1c(c(c(n1CC[C@H](C[C@H](CC(=O)O)O)O)c2ccc(cc2)F)c3ccccc3)C(=O)Nc4ccccc4,C33H35FN2O5,11.29,557.2457204,231.92,[M-H],-1,"InChI=1S/C33H35FN2O5/c1-21(2)31-30(33(41)35-25-11-7-4-8-12-25)29(22-9-5-3-6-10-22)32(23-13-15-24(34)16-14-23)36(31)18-17-26(37)19-27(38)20-28(39)40/h3-16,21,26-27,37-38H,17-20H2,1-2H3,(H,35,41)(H,39,40)/t26-,27-/m1/s1",XUKUURHRXDUEBC-KAYWLYCHSA-N,Atorvastatin,60823
Atorvastatin,O=C(C[C@@H](C[C@@H](CCN1C(C2=CC=C(C=C2)F)=C(C(C(NC3=CC=CC=C3)=O)=C1C(C)C)C4=CC=CC=C4)O)O)O,C33H35FN2O5,11.31,559.2602804,233.34,[M+H],1,"InChI=1S/C33H35FN2O5/c1-21(2)31-30(33(41)35-25-11-7-4-8-12-25)29(22-9-5-3-6-10-22)32(23-13-15-24(34)16-14-23)36(31)18-17-26(37)19-27(38)20-28(39)40/h3-16,21,26-27,37-38H,17-20H2,1-2H3,(H,35,41)(H,39,40)/t26-,27-/m1/s1",XUKUURHRXDUEBC-KAYWLYCHSA-N,Atorvastatin,60823
Atorvastatin,O=C(C[C@@H](C[C@@H](CCN1C(C2=CC=C(C=C2)F)=C(C(C(NC3=CC=CC=C3)=O)=C1C(C)C)C4=CC=CC=C4)O)O)O,C33H35FN2O5,11.31,581.2422204,233.2,[M+Na],1,"InChI=1S/C33H35FN2O5/c1-21(2)31-30(33(41)35-25-11-7-4-8-12-25)29(22-9-5-3-6-10-22)32(23-13-15-24(34)16-14-23)36(31)18-17-26(37)19-27(38)20-28(39)40/h3-16,21,26-27,37-38H,17-20H2,1-2H3,(H,35,41)(H,39,40)/t26-,27-/m1/s1",XUKUURHRXDUEBC-KAYWLYCHSA-N,Atorvastatin,60823
Atrazine,ClC1=NC(NC(C)C)=NC(NCC)=N1,C8H14N5Cl,8.47,216.1010532,149.26,[M+H],1,"InChI=1S/C8H14ClN5/c1-4-10-7-12-6(9)13-8(14-7)11-5(2)3/h5H,4H2,1-3H3,(H2,10,11,12,13,14)",MXWJVTOOROXGIU-UHFFFAOYSA-N,Atrazine,2256
Azaconazol,c1cc(c(cc1Cl)Cl)C2(OCCO2)Cn3cncn3,C12H11Cl2N3O2,11.89,344.021032,171.64,[M+HCOO],-1,"InChI=1S/C12H11Cl2N3O2/c13-9-1-2-10(11(14)5-9)12(18-3-4-19-12)6-17-8-15-7-16-17/h1-2,5,7-8H,3-4,6H2",AKNQMEBLVAMSNZ-UHFFFAOYSA-N,Azaconazol,43233
Azaconazol,ClC1=CC(Cl)=CC=C1C2(CN3N=CN=C3)OCCO2,C12H11Cl2N3O2,8.96,300.030112,162.88,[M+H],1,"InChI=1S/C12H11Cl2N3O2/c13-9-1-2-10(11(14)5-9)12(18-3-4-19-12)6-17-8-15-7-16-17/h1-2,5,7-8H,3-4,6H2",AKNQMEBLVAMSNZ-UHFFFAOYSA-N,Azaconazol,43233
Azaperol,FC1=CC=C(C=C1)C(CCCN2CCN(C3=CC=CC=N3)CC2)O,C19H24FN3O,16.09,328.1830606,191.54,[M-H],-1,"InChI=1S/C19H24FN3O/c20-17-8-6-16(7-9-17)18(24)4-3-11-22-12-14-23(15-13-22)19-5-1-2-10-21-19/h1-2,5-10,18,24H,3-4,11-15H2",LVXYAFNPMXCRJI-UHFFFAOYSA-N,Azaperol,3080589
Azaperol,FC1=CC=C(C=C1)C(CCCN2CCN(C3=CC=CC=N3)CC2)O,C19H24FN3O,3.45,330.1976206,182.91,[M+H],1,"InChI=1S/C19H24FN3O/c20-17-8-6-16(7-9-17)18(24)4-3-11-22-12-14-23(15-13-22)19-5-1-2-10-21-19/h1-2,5-10,18,24H,3-4,11-15H2",LVXYAFNPMXCRJI-UHFFFAOYSA-N,Azaperol,3080589
Azaperone,FC1=CC=C(C=C1)C(CCCN2CCN(CC2)C3=CC=CC=N3)=O,C19H22FN3O,4.18,328.1819705,181.99,[M+H],1,"InChI=1S/C19H22FN3O/c20-17-8-6-16(7-9-17)18(24)4-3-11-22-12-14-23(15-13-22)19-5-1-2-10-21-19/h1-2,5-10H,3-4,11-15H2",XTKDAFGWCDAMPY-UHFFFAOYSA-N,Azaperone,15443
Azinphos-ethyl,S=P(OCC)(OCC)SCN1N=NC2=C(C=CC=C2)C1=O,C12H16N3O3PS2,10.87,368.0262907,175.58,[M+Na],1,"InChI=1S/C12H16N3O3PS2/c1-3-17-19(20,18-4-2)21-9-15-12(16)10-7-5-6-8-11(10)13-14-15/h5-8H,3-4,9H2,1-2H3",RQVGAIADHNPSME-UHFFFAOYSA-N,Azinphos-ethyl,17531
Azinphos-methyl,S=P(OC)(OC)SCN1N=NC2=CC=CC=C2C1=O,C10H12N3O3PS2,9.33,339.9949906,167.52,[M+Na],1,"InChI=1S/C10H12N3O3PS2/c1-15-17(18,16-2)19-7-13-10(14)8-5-3-4-6-9(8)11-12-13/h3-6H,7H2,1-2H3",CJJOSEISRRTUQB-UHFFFAOYSA-N,Azinphos-methyl,2268
Azithromycin,CN([C@H](C)[C@@H](O)[C@@](O)(C)[C@@H](CC)O1)C[C@H](C)C[C@](O)(C)[C@H](O[C@H]2[C@H](O)[C@@H](N(C)C)C[C@@H](C)O2)[C@@H](C)[C@H](O[C@H]3C[C@@](C)(OC)[C@@H](O)[C@H](C)O3)[C@@H](C)C1=O,C38H72N2O12,5.71,749.5158058,268.72,[M+H],1,"InChI=1S/C38H72N2O12/c1-15-27-38(10,46)31(42)24(6)40(13)19-20(2)17-36(8,45)33(52-35-29(41)26(39(11)12)16-21(3)48-35)22(4)30(23(5)34(44)50-27)51-28-18-37(9,47-14)32(43)25(7)49-28/h20-33,35,41-43,45-46H,15-19H2,1-14H3/t20-,21-,22+,23-,24-,25+,26+,27-,28+,29-,30+,31-,32+,33-,35+,36-,37-,38-/m1/s1",MQTOSJVFKKJCRP-BICOPXKESA-N,Azithromycin,447043
Azithromycin,CN([C@H](C)[C@@H](O)[C@@](O)(C)[C@@H](CC)O1)C[C@H](C)C[C@](O)(C)[C@H](O[C@H]2[C@H](O)[C@@H](N(C)C)C[C@@H](C)O2)[C@@H](C)[C@H](O[C@H]3C[C@@](C)(OC)[C@@H](O)[C@H](C)O3)[C@@H](C)C1=O,C38H72N2O12,5.71,771.4977458,273.75,[M+Na],1,"InChI=1S/C38H72N2O12/c1-15-27-38(10,46)31(42)24(6)40(13)19-20(2)17-36(8,45)33(52-35-29(41)26(39(11)12)16-21(3)48-35)22(4)30(23(5)34(44)50-27)51-28-18-37(9,47-14)32(43)25(7)49-28/h20-33,35,41-43,45-46H,15-19H2,1-14H3/t20-,21-,22+,23-,24-,25+,26+,27-,28+,29-,30+,31-,32+,33-,35+,36-,37-,38-/m1/s1",MQTOSJVFKKJCRP-BICOPXKESA-N,Azithromycin,447043
Azoxystrobin,O=C(/C(C(C=CC=C1)=C1OC2=NC=NC(OC3=C(C#N)C=CC=C3)=C2)=C/OC)OC,C22H17N3O5,15.21,402.1095407,194.59,[M-H],-1,"InChI=1S/C22H17N3O5/c1-27-13-17(22(26)28-2)16-8-4-6-10-19(16)30-21-11-20(24-14-25-21)29-18-9-5-3-7-15(18)12-23/h3-11,13-14H,1-2H3/b17-13+",WFDXOXNFNRHQEC-GHRIWEEISA-N,Azoxystrobin,3034285
Azoxystrobin,O=C(/C(C(C=CC=C1)=C1OC2=NC=NC(OC3=C(C#N)C=CC=C3)=C2)=C/OC)OC,C22H17N3O5,9.82,404.1241007,196.74,[M+H],1,"InChI=1S/C22H17N3O5/c1-27-13-17(22(26)28-2)16-8-4-6-10-19(16)30-21-11-20(24-14-25-21)29-18-9-5-3-7-15(18)12-23/h3-11,13-14H,1-2H3/b17-13+",WFDXOXNFNRHQEC-GHRIWEEISA-N,Azoxystrobin,3034285
Azoxystrobin,O=C(/C(C(C=CC=C1)=C1OC2=NC=NC(OC3=C(C#N)C=CC=C3)=C2)=C/OC)OC,C22H17N3O5,9.82,426.1060407,197.74,[M+Na],1,"InChI=1S/C22H17N3O5/c1-27-13-17(22(26)28-2)16-8-4-6-10-19(16)30-21-11-20(24-14-25-21)29-18-9-5-3-7-15(18)12-23/h3-11,13-14H,1-2H3/b17-13+",WFDXOXNFNRHQEC-GHRIWEEISA-N,Azoxystrobin,3034285
Benomyl,CCCCNC(=O)n1c2ccccc2nc1NC(=O)OC,C14H18N4O3,13.84,335.1360905,190.14,[M+HCOO],-1,"InChI=1S/C14H18N4O3/c1-3-4-9-15-13(19)18-11-8-6-5-7-10(11)16-12(18)17-14(20)21-2/h5-8H,3-4,9H2,1-2H3,(H,15,19)(H,16,17,20)",RIOXQFHNBCKOKP-UHFFFAOYSA-N,Benomyl,28780
Benomyl,O=C(NCCCC)N1C(C=CC=C2)=C2N=C1NC(OC)=O,C14H18N4O3,12.8,291.1451705,146.68,[M+H],1,"InChI=1S/C14H18N4O3/c1-3-4-9-15-13(19)18-11-8-6-5-7-10(11)16-12(18)17-14(20)21-2/h5-8H,3-4,9H2,1-2H3,(H,15,19)(H,16,17,20)",RIOXQFHNBCKOKP-UHFFFAOYSA-N,Benomyl,28780
Bensulide,S=P(OC(C)C)(OC(C)C)SCCNS(=O)(C1=CC=CC=C1)=O,C14H24NO4PS3,11.48,432.0299088,195.17,[M+Cl],-1,"InChI=1S/C14H24NO4PS3/c1-12(2)18-20(21,19-13(3)4)22-11-10-15-23(16,17)14-8-6-5-7-9-14/h5-9,12-13,15H,10-11H2,1-4H3",RRNIZKPFKNDSRS-UHFFFAOYSA-N,Bensulide,12932
Bensulide,S=P(OC(C)C)(OC(C)C)SCCNS(=O)(C1=CC=CC=C1)=O,C14H24NO4PS3,11.5,398.0677888,183.44,[M+H],1,"InChI=1S/C14H24NO4PS3/c1-12(2)18-20(21,19-13(3)4)22-11-10-15-23(16,17)14-8-6-5-7-9-14/h5-9,12-13,15H,10-11H2,1-4H3",RRNIZKPFKNDSRS-UHFFFAOYSA-N,Bensulide,12932
Bensulide,S=P(OC(C)C)(OC(C)C)SCCNS(=O)(C1=CC=CC=C1)=O,C14H24NO4PS3,11.5,420.0497288,190.17,[M+Na],1,"InChI=1S/C14H24NO4PS3/c1-12(2)18-20(21,19-13(3)4)22-11-10-15-23(16,17)14-8-6-5-7-9-14/h5-9,12-13,15H,10-11H2,1-4H3",RRNIZKPFKNDSRS-UHFFFAOYSA-N,Bensulide,12932
Bentazone,O=S(N(C(C)C)C1=O)(NC2=C1C=CC=C2)=O,C10H12N2O3S,6.89,239.0495834,147.66,[M-H],-1,"InChI=1S/C10H12N2O3S/c1-7(2)12-10(13)8-5-3-4-6-9(8)11-16(12,14)15/h3-7,11H,1-2H3",ZOMSMJKLGFBRBS-UHFFFAOYSA-N,Bentazone,2328
Bentazone,O=S(N(C(C)C)C1=O)(NC2=C1C=CC=C2)=O,C10H12N2O3S,7.01,241.0641434,145.63,[M+H],1,"InChI=1S/C10H12N2O3S/c1-7(2)12-10(13)8-5-3-4-6-9(8)11-16(12,14)15/h3-7,11H,1-2H3",ZOMSMJKLGFBRBS-UHFFFAOYSA-N,Bentazone,2328
Benzophenone,O=C(C1=CC=CC=C1)C2=CC=CC=C2,C13H10O,10.1,183.0804449,135.88,[M+H],1,InChI=1S/C13H10O/c14-13(11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10H,RWCCWEUUXYIKHB-UHFFFAOYSA-N,Benzophenone,3102
Benzophenone-2,OC1=CC(O)=C(C(C2=C(O)C=C(O)C=C2)=O)C=C1,C13H10O5,6.52,245.0455434,151.99,[M-H],-1,"InChI=1S/C13H10O5/c14-7-1-3-9(11(16)5-7)13(18)10-4-2-8(15)6-12(10)17/h1-6,14-17H",WXNRYSGJLQFHBR-UHFFFAOYSA-N,Benzophenone-2,8571
Benzophenone-2,OC1=CC(O)=C(C(C2=C(O)C=C(O)C=C2)=O)C=C1,C13H10O5,6.55,247.0601034,152,[M+H],1,"InChI=1S/C13H10O5/c14-7-1-3-9(11(16)5-7)13(18)10-4-2-8(15)6-12(10)17/h1-6,14-17H",WXNRYSGJLQFHBR-UHFFFAOYSA-N,Benzophenone-2,8571
Benzophenone-3,COC1=CC=C(C(C2=CC=CC=C2)=O)C(O)=C1,C14H12O3,11.21,307.0281793,153.41,[M-H],-1,"InChI=1S/C14H12O3/c1-17-11-7-8-12(13(15)9-11)14(16)10-5-3-2-4-6-10/h2-9,15H,1H3",DXGLGDHPHMLXJC-UHFFFAOYSA-N,Benzophenone-3,4632
Benzophenone-3,COC1=CC=C(C(C2=CC=CC=C2)=O)C(O)=C1,C14H12O3,11.29,229.0859242,146.82,[M+H],1,"InChI=1S/C14H12O3/c1-17-11-7-8-12(13(15)9-11)14(16)10-5-3-2-4-6-10/h2-9,15H,1H3",DXGLGDHPHMLXJC-UHFFFAOYSA-N,Benzophenone-3,4632
Benzophenone-4,COC1=CC(O)=C(C(C2=CC=CC=C2)=O)C=C1S(=O)(O)=O,C14H12O6S,6.24,227.0713642,168.59,[M-H],-1,"InChI=1S/C14H12O6S/c1-20-12-8-11(15)10(7-13(12)21(17,18)19)14(16)9-5-3-2-4-6-9/h2-8,15H,1H3,(H,17,18,19)",CXVGEDCSTKKODG-UHFFFAOYSA-N,Benzophenone-4,19988
Benzophenone-4,COC1=CC(O)=C(C(C2=CC=CC=C2)=O)C=C1S(=O)(O)=O,C14H12O6S,5.99,309.0427393,167.11,[M+H],1,"InChI=1S/C14H12O6S/c1-20-12-8-11(15)10(7-13(12)21(17,18)19)14(16)9-5-3-2-4-6-9/h2-8,15H,1H3,(H,17,18,19)",CXVGEDCSTKKODG-UHFFFAOYSA-N,Benzophenone-4,19988
Benzophenone-4,COC1=CC(O)=C(C(C2=CC=CC=C2)=O)C=C1S(=O)(O)=O,C14H12O6S,5.99,331.0246793,184.79,[M+Na],1,"InChI=1S/C14H12O6S/c1-20-12-8-11(15)10(7-13(12)21(17,18)19)14(16)9-5-3-2-4-6-9/h2-8,15H,1H3,(H,17,18,19)",CXVGEDCSTKKODG-UHFFFAOYSA-N,Benzophenone-4,19988
Benzoylecgonine,CN1[C@@H]2CC[C@H]1C[C@H](OC(C3=CC=CC=C3)=O)[C@@H]2C(O)=O,C16H19NO4,3.71,290.1386881,168.36,[M+H],1,"InChI=1S/C16H19NO4/c1-17-11-7-8-12(17)14(15(18)19)13(9-11)21-16(20)10-5-3-2-4-6-10/h2-6,11-14H,7-9H2,1H3,(H,18,19)/t11-,12+,13-,14+/m0/s1",GVGYEFKIHJTNQZ-RFQIPJPRSA-N,Benzoylecgonine,448223
Betamethasone ,F[C@]([C@](C=C1)(C)C2=CC1=O)([C@H]3O)[C@@H](CC2)[C@H](C[C@@H]4C)[C@@](C3)(C)[C@]4(C(CO)=O)O,C22H29FO5,9.04,393.2071822,188.34,[M+H],1,"InChI=1S/C22H29FO5/c1-12-8-16-15-5-4-13-9-14(25)6-7-19(13,2)21(15,23)17(26)10-20(16,3)22(12,28)18(27)11-24/h6-7,9,12,15-17,24,26,28H,4-5,8,10-11H2,1-3H3/t12-,15-,16-,17-,19-,20-,21-,22-/m0/s1",UREBDLICKHMUKA-DVTGEIKXSA-N,Betamethasone ,9782
Betamethasone ,F[C@]([C@](C=C1)(C)C2=CC1=O)([C@H]3O)[C@@H](CC2)[C@H](C[C@@H]4C)[C@@](C3)(C)[C@]4(C(CO)=O)O,C22H29FO5,9.04,415.1891222,217.65,[M+Na],1,"InChI=1S/C22H29FO5/c1-12-8-16-15-5-4-13-9-14(25)6-7-19(13,2)21(15,23)17(26)10-20(16,3)22(12,28)18(27)11-24/h6-7,9,12,15-17,24,26,28H,4-5,8,10-11H2,1-3H3/t12-,15-,16-,17-,19-,20-,21-,22-/m0/s1",UREBDLICKHMUKA-DVTGEIKXSA-N,Betamethasone ,9782
Bezafibrate,CC(C(O)=O)(C)OC1=CC=C(CCNC(C2=CC=C(Cl)C=C2)=O)C=C1,C19H20ClNO4,10.05,360.1008058,183.8,[M-H],-1,"InChI=1S/C19H20ClNO4/c1-19(2,18(23)24)25-16-9-3-13(4-10-16)11-12-21-17(22)14-5-7-15(20)8-6-14/h3-10H,11-12H2,1-2H3,(H,21,22)(H,23,24)",IIBYAHWJQTYFKB-UHFFFAOYSA-N,Bezafibrate,39042
Bezafibrate,CC(C(O)=O)(C)OC1=CC=C(CCNC(C2=CC=C(Cl)C=C2)=O)C=C1,C19H20ClNO4,10.1,362.1153658,177.84,[M+H],1,"InChI=1S/C19H20ClNO4/c1-19(2,18(23)24)25-16-9-3-13(4-10-16)11-12-21-17(22)14-5-7-15(20)8-6-14/h3-10H,11-12H2,1-2H3,(H,21,22)(H,23,24)",IIBYAHWJQTYFKB-UHFFFAOYSA-N,Bezafibrate,39042
Bezafibrate,CC(C(O)=O)(C)OC1=CC=C(CCNC(C2=CC=C(Cl)C=C2)=O)C=C1,C19H20ClNO4,10.1,384.0973058,198.51,[M+Na],1,"InChI=1S/C19H20ClNO4/c1-19(2,18(23)24)25-16-9-3-13(4-10-16)11-12-21-17(22)14-5-7-15(20)8-6-14/h3-10H,11-12H2,1-2H3,(H,21,22)(H,23,24)",IIBYAHWJQTYFKB-UHFFFAOYSA-N,Bezafibrate,39042
Bifenthrin,Cl/C(C(F)(F)F)=C\[C@H]1C(C)(C)[C@H]1C(OCC2=C(C)C(C3=CC=CC=C3)=CC=C2)=O,C23H22ClF3O2,15.42,445.1152621,194.53,[M+Na],1,"InChI=1S/C23H22ClF3O2/c1-14-16(10-7-11-17(14)15-8-5-4-6-9-15)13-29-21(28)20-18(22(20,2)3)12-19(24)23(25,26)27/h4-12,18,20H,13H2,1-3H3/b19-12-/t18-,20-/m1/s1",OMFRMAHOUUJSGP-JHEGMOCKSA-N,Bifenthrin,10938769
Bixafen,O=C(NC1=CC=C(F)C=C1C2=CC=C(Cl)C(Cl)=C2)C(C(C(F)F)=N3)=CN3C,C18H12Cl2F3N3O,11.48,412.0236719,191.13,[M-H],-1,"InChI=1S/C18H12Cl2F3N3O/c1-26-8-12(16(25-26)17(22)23)18(27)24-15-5-3-10(21)7-11(15)9-2-4-13(19)14(20)6-9/h2-8,17H,1H3,(H,24,27)",LDLMOOXUCMHBMZ-UHFFFAOYSA-N,Bixafen,11434448
Bixafen,O=C(NC1=CC=C(F)C=C1C2=CC=C(Cl)C(Cl)=C2)C(C(C(F)F)=N3)=CN3C,C18H12Cl2F3N3O,11.48,448.0003519,197.67,[M+Cl],-1,"InChI=1S/C18H12Cl2F3N3O/c1-26-8-12(16(25-26)17(22)23)18(27)24-15-5-3-10(21)7-11(15)9-2-4-13(19)14(20)6-9/h2-8,17H,1H3,(H,24,27)",LDLMOOXUCMHBMZ-UHFFFAOYSA-N,Bixafen,11434448
Bixafen,O=C(NC1=CC=C(F)C=C1C2=CC=C(Cl)C(Cl)=C2)C(C(C(F)F)=N3)=CN3C,C18H12Cl2F3N3O,11.49,414.0382319,183.92,[M+H],1,"InChI=1S/C18H12Cl2F3N3O/c1-26-8-12(16(25-26)17(22)23)18(27)24-15-5-3-10(21)7-11(15)9-2-4-13(19)14(20)6-9/h2-8,17H,1H3,(H,24,27)",LDLMOOXUCMHBMZ-UHFFFAOYSA-N,Bixafen,11434448
Bixafen,O=C(NC1=CC=C(F)C=C1C2=CC=C(Cl)C(Cl)=C2)C(C(C(F)F)=N3)=CN3C,C18H12Cl2F3N3O,11.49,436.0201719,190.28,[M+Na],1,"InChI=1S/C18H12Cl2F3N3O/c1-26-8-12(16(25-26)17(22)23)18(27)24-15-5-3-10(21)7-11(15)9-2-4-13(19)14(20)6-9/h2-8,17H,1H3,(H,24,27)",LDLMOOXUCMHBMZ-UHFFFAOYSA-N,Bixafen,11434448
bk-DMBDP (Dipentylone),O=C(C1=CC2=C(C=C1)OCO2)C(N(C)C)CCC,C14H19NO3,4.28,250.1437735,159.06,[M+H],1,"InChI=1S/C14H19NO3/c1-4-5-11(15(2)3)14(16)10-6-7-12-13(8-10)18-9-17-12/h6-8,11H,4-5,9H2,1-3H3",PQTJKFUXRBKONZ-UHFFFAOYSA-N,bk-DMBDP (Dipentylone),119057570
bk-MDDMA,CN(C)C(C)C(C1=CC(OCO2)=C2C=C1)=O,C12H15NO3,2.16,222.1124733,149.49,[M+H],1,"InChI=1S/C12H15NO3/c1-8(13(2)3)12(14)9-4-5-10-11(6-9)16-7-15-10/h4-6,8H,7H2,1-3H3",OSNIIMCBVLBNGS-UHFFFAOYSA-N,bk-MDDMA,9794472
Boscalid,ClC(N=CC=C1)=C1C(NC2=C(C=CC=C2)C(C=C3)=CC=C3Cl)=O,C18H12Cl2N2O,10.13,341.0253884,178.57,[M-H],-1,"InChI=1S/C18H12Cl2N2O/c19-13-9-7-12(8-10-13)14-4-1-2-6-16(14)22-18(23)15-5-3-11-21-17(15)20/h1-11H,(H,22,23)",WYEMLYFITZORAB-UHFFFAOYSA-N,Boscalid,213013
Boscalid,ClC(N=CC=C1)=C1C(NC2=C(C=CC=C2)C(C=C3)=CC=C3Cl)=O,C18H12Cl2N2O,10.14,343.0399484,175.28,[M+H],1,"InChI=1S/C18H12Cl2N2O/c19-13-9-7-12(8-10-13)14-4-1-2-6-16(14)22-18(23)15-5-3-11-21-17(15)20/h1-11H,(H,22,23)",WYEMLYFITZORAB-UHFFFAOYSA-N,Boscalid,213013
Boscalid,ClC(N=CC=C1)=C1C(NC2=C(C=CC=C2)C(C=C3)=CC=C3Cl)=O,C18H12Cl2N2O,10.14,365.0218884,179.04,[M+Na],1,"InChI=1S/C18H12Cl2N2O/c19-13-9-7-12(8-10-13)14-4-1-2-6-16(14)22-18(23)15-5-3-11-21-17(15)20/h1-11H,(H,22,23)",WYEMLYFITZORAB-UHFFFAOYSA-N,Boscalid,213013
Bromacil,BrC1=C(C)NC(N(C(C)CC)C1=O)=O,C9H13BrN2O2,7.01,259.008761,146.95,[M-H],-1,"InChI=1S/C9H13BrN2O2/c1-4-5(2)12-8(13)7(10)6(3)11-9(12)14/h5H,4H2,1-3H3,(H,11,14)",CTSLUCNDVMMDHG-UHFFFAOYSA-N,Bromacil,9411
Bromacil,BrC1=C(C)NC(N(C(C)CC)C1=O)=O,C9H13BrN2O2,7.02,261.023321,143.31,[M+H],1,"InChI=1S/C9H13BrN2O2/c1-4-5(2)12-8(13)7(10)6(3)11-9(12)14/h5H,4H2,1-3H3,(H,11,14)",CTSLUCNDVMMDHG-UHFFFAOYSA-N,Bromacil,9411
Bromacil,BrC1=C(C)NC(N(C(C)CC)C1=O)=O,C9H13BrN2O2,7.02,283.005261,162.32,[M+Na],1,"InChI=1S/C9H13BrN2O2/c1-4-5(2)12-8(13)7(10)6(3)11-9(12)14/h5H,4H2,1-3H3,(H,11,14)",CTSLUCNDVMMDHG-UHFFFAOYSA-N,Bromacil,9411
Brombuterol,BrC1=CC(C(CN([H])C(C)(C)C)O)=CC(Br)=C1N([H])[H],C12H18Br2N2O,4.52,364.985869,167.1,[M+H],1,"InChI=1S/C12H18Br2N2O/c1-12(2,3)16-6-10(17)7-4-8(13)11(15)9(14)5-7/h4-5,10,16-17H,6,15H2,1-3H3",PLFUBWPEUSILSL-UHFFFAOYSA-N,Brombuterol,3084849
Bromoclenbuterol,BrC1=CC(C(CN([H])C(C)(C)C)O)=CC(Cl)=C1N([H])[H],C12H18BrClN2O,4.16,321.036384,165.81,[M+H],1,"InChI=1S/C12H18BrClN2O/c1-12(2,3)16-6-10(17)7-4-8(13)11(15)9(14)5-7/h4-5,10,16-17H,6,15H2,1-3H3",RBROAKIHDILEQG-UHFFFAOYSA-N,Bromoclenbuterol,2763157
Bromophos ethyl,BrC1=C(C=C(C(Cl)=C1)OP(OCC)(OCC)=S)Cl,C10H12BrCl2O3PS,14.59,392.887801,166.45,[M+H],1,"InChI=1S/C10H12BrCl2O3PS/c1-3-14-17(18,15-4-2)16-10-6-8(12)7(11)5-9(10)13/h5-6H,3-4H2,1-2H3",KWGUFOITWDSNQY-UHFFFAOYSA-N,Bromophos ethyl,20965
Bromophos methyl,BrC1=C(C=C(C(Cl)=C1)OP(OC)(OC)=S)Cl,C8H8BrCl2O3PS,13.53,364.856501,157.19,[M+H],1,"InChI=1S/C8H8BrCl2O3PS/c1-12-15(16,13-2)14-8-4-6(10)5(9)3-7(8)11/h3-4H,1-2H3",NYQDCVLCJXRDSK-UHFFFAOYSA-N,Bromophos methyl,16422
Bromophos-ethyl,CCOP(=S)(OCC)Oc1cc(c(cc1Cl)Br)Cl,C10H12BrCl2O3PS,11.59,436.878721,178.4,[M+HCOO],-1,"InChI=1S/C10H12BrCl2O3PS/c1-3-14-17(18,15-4-2)16-10-6-8(12)7(11)5-9(10)13/h5-6H,3-4H2,1-2H3",KWGUFOITWDSNQY-UHFFFAOYSA-N,Bromophos-ethyl,20965
Bromopropylate,O=C(OC(C)C)C(C1=CC=C(Br)C=C1)(O)C(C=C2)=CC=C2Br,C17H16Br2O3,13.6,426.9539,176.6,[M+H],1,"InChI=1S/C17H16Br2O3/c1-11(2)22-16(20)17(21,12-3-7-14(18)8-4-12)13-5-9-15(19)10-6-13/h3-11,21H,1-2H3",FOANIXZHAMJWOI-UHFFFAOYSA-N,Bromopropylate,28936
Bromoxynil,c1c(cc(c(c1Br)O)Br)C#N,C7H3Br2NO,7.92,273.85086,128.69,[M-H],-1,"InChI=1S/C7H3Br2NO/c8-5-1-4(3-10)2-6(9)7(5)11/h1-2,11H",UPMXNNIRAGDFEH-UHFFFAOYSA-N,Bromoxynil,15531
Bromuconazol isomer 1,BrC1COC(CN2C=NC=N2)(C3=CC=C(Cl)C=C3Cl)C1,C13H12N3OCl2Br,10.56,375.96136,168.75,[M+H],1,"InChI=1S/C13H12BrCl2N3O/c14-9-4-13(20-5-9,6-19-8-17-7-18-19)11-2-1-10(15)3-12(11)16/h1-3,7-9H,4-6H2",HJJVPARKXDDIQD-UHFFFAOYSA-N,Bromuconazol 1,3444
Bromuconazol isomer 2,BrC1COC(CN2C=NC=N2)(C3=CC=C(Cl)C=C3Cl)C1,C13H12N3OCl2Br,11.41,375.96136,171.03,[M+H],1,"InChI=1S/C13H12BrCl2N3O/c14-9-4-13(20-5-9,6-19-8-17-7-18-19)11-2-1-10(15)3-12(11)16/h1-3,7-9H,4-6H2",HJJVPARKXDDIQD-UHFFFAOYSA-N,Bromuconazol 2,3444
Buphedrone,CNC(CC)C(C1=CC=CC=C1)=O,C11H15NO,2.73,178.1226441,140.67,[M+H],1,"InChI=1S/C11H15NO/c1-3-10(12-2)11(13)9-7-5-4-6-8-9/h4-8,10,12H,3H2,1-2H3",DDPMGIMJSRUULN-UHFFFAOYSA-N,Buphedrone,53249194
Buphedrone,CNC(CC)C(C1=CC=CC=C1)=O,C11H15NO,2.73,160.1120841,133.06,[M+H-H2O],1,"InChI=1S/C11H15NO/c1-3-10(12-2)11(13)9-7-5-4-6-8-9/h4-8,10,12H,3H2,1-2H3",DDPMGIMJSRUULN-UHFFFAOYSA-N,Buphedrone,53249194
Buprofezin,O=C1N(C(C)C)/C(SCN1C2=CC=CC=C2)=N/C(C)(C)C,C16H23N3OS,10.28,340.1255835,180.36,[M+Cl],-1,"InChI=1S/C16H23N3OS/c1-12(2)19-14(17-16(3,4)5)21-11-18(15(19)20)13-9-7-6-8-10-13/h6-10,12H,11H2,1-5H3/b17-14-",PRLVTUNWOQKEAI-VKAVYKQESA-N,Buprofezin,50367
Buprofezin,O=C1N(C(C)C)/C(SCN1C2=CC=CC=C2)=N/C(C)(C)C,C16H23N3OS,13.09,306.1634635,174.21,[M+H],1,"InChI=1S/C16H23N3OS/c1-12(2)19-14(17-16(3,4)5)21-11-18(15(19)20)13-9-7-6-8-10-13/h6-10,12H,11H2,1-5H3/b17-14-",PRLVTUNWOQKEAI-VKAVYKQESA-N,Buprofezin,50367
Butachlor,ClCC(N(COCCCC)C1=C(CC)C=CC=C1CC)=O,C17H26ClNO2,13.44,334.1544268,184.3,[M+Na],1,"InChI=1S/C17H26ClNO2/c1-4-7-11-21-13-19(16(20)12-18)17-14(5-2)9-8-10-15(17)6-3/h8-10H,4-7,11-13H2,1-3H3",HKPHPIREJKHECO-UHFFFAOYSA-N,Butachlor,31677
Butylone,CCC(NC)C(C1=CC=C(OCO2)C2=C1)=O,C12H15NO3,2.96,222.1124733,151.22,[M+H],1,"InChI=1S/C12H15NO3/c1-3-9(13-2)12(14)8-4-5-10-11(6-8)16-7-15-10/h4-6,9,13H,3,7H2,1-2H3",CGKQZIULZRXRRJ-UHFFFAOYSA-N,Butylone,56843046
Butylone,CCC(NC)C(C1=CC=C(OCO2)C2=C1)=O,C12H15NO3,2.96,204.1019133,141.58,[M+H-H2O],1,"InChI=1S/C12H15NO3/c1-3-9(13-2)12(14)8-4-5-10-11(6-8)16-7-15-10/h4-6,9,13H,3,7H2,1-2H3",CGKQZIULZRXRRJ-UHFFFAOYSA-N,Butylone,56843046
Butylparaben,CCCCOC(=O)c1ccc(cc1)O,C11H14O3,9.94,193.0870143,150.14,[M-H],-1,"InChI=1S/C11H14O3/c1-2-3-8-14-11(13)9-4-6-10(12)7-5-9/h4-7,12H,2-3,8H2,1H3",QFOHBWFCKVYLES-UHFFFAOYSA-N,Butylparaben,7184
Cadusafos,O=P(SC(CC)C)(OCC)SC(CC)C,C10H23O2PS2,12.46,271.0949893,157.35,[M+H],1,"InChI=1S/C10H23O2PS2/c1-6-9(4)14-13(11,12-8-3)15-10(5)7-2/h9-10H,6-8H2,1-5H3",KXRPCFINVWWFHQ-UHFFFAOYSA-N,Cadusafos,91752
Cadusafos,O=P(SC(CC)C)(OCC)SC(CC)C,C10H23O2PS2,12.46,293.0769293,176.01,[M+Na],1,"InChI=1S/C10H23O2PS2/c1-6-9(4)14-13(11,12-8-3)15-10(5)7-2/h9-10H,6-8H2,1-5H3",KXRPCFINVWWFHQ-UHFFFAOYSA-N,Cadusafos,91752
Carazolol,OC(CNC(C)C)COC1=C2C3=CC=CC=C3NC2=CC=C1,C18H22N2O2,4.71,297.160848,173.98,[M-H],-1,"InChI=1S/C18H22N2O2/c1-12(2)19-10-13(21)11-22-17-9-5-8-16-18(17)14-6-3-4-7-15(14)20-16/h3-9,12-13,19-21H,10-11H2,1-2H3",BQXQGZPYHWWCEB-UHFFFAOYSA-N,Carazolol,71739
Carazolol,OC(CNC(C)C)COC1=C2C3=CC=CC=C3NC2=CC=C1,C18H22N2O2,4.93,299.175408,167.19,[M+H],1,"InChI=1S/C18H22N2O2/c1-12(2)19-10-13(21)11-22-17-9-5-8-16-18(17)14-6-3-4-7-15(14)20-16/h3-9,12-13,19-21H,10-11H2,1-2H3",BQXQGZPYHWWCEB-UHFFFAOYSA-N,Carazolol,71739
Carbadox,[O-][N+](C1=CC=CC=C21)=C(/C=N/NC(OC)=O)C=[N+]2[O-],C11H10N4O4,4.01,261.0629248,160.18,[M-H],-1,"InChI=1S/C11H10N4O4/c1-19-11(16)13-12-6-8-7-14(17)9-4-2-3-5-10(9)15(8)18/h2-7H,1H3,(H,13,16)/b12-6+",OVGGLBAWFMIPPY-WUXMJOGZSA-N,Carbadox,135511839
Carbadox,[O-][N+](C1=CC=CC=C21)=C(/C=N/NC(OC)=O)C=[N+]2[O-],C11H10N4O4,4.02,263.0774848,155.81,[M+H],1,"InChI=1S/C11H10N4O4/c1-19-11(16)13-12-6-8-7-14(17)9-4-2-3-5-10(9)15(8)18/h2-7H,1H3,(H,13,16)/b12-6+",OVGGLBAWFMIPPY-WUXMJOGZSA-N,Carbadox,135511839
Carbadox,[O-][N+](C1=CC=CC=C21)=C(/C=N/NC(OC)=O)C=[N+]2[O-],C11H10N4O4,4.02,285.0594248,159.03,[M+Na],1,"InChI=1S/C11H10N4O4/c1-19-11(16)13-12-6-8-7-14(17)9-4-2-3-5-10(9)15(8)18/h2-7H,1H3,(H,13,16)/b12-6+",OVGGLBAWFMIPPY-WUXMJOGZSA-N,Carbadox,135511839
Carbamazepine,NC(N1C2=C(C=CC3=CC=CC=C13)C=CC=C2)=O,C15H12N2O,7.95,237.102243,149.11,[M+H],1,"InChI=1S/C15H12N2O/c16-15(18)17-13-7-3-1-5-11(13)9-10-12-6-2-4-8-14(12)17/h1-10H,(H2,16,18)",FFGPTBGBLSHEPO-UHFFFAOYSA-N,Carbamazepine,2554
Carbamazepine,NC(N1C2=C(C=CC3=CC=CC=C13)C=CC=C2)=O,C15H12N2O,7.95,259.084183,158.54,[M+Na],1,"InChI=1S/C15H12N2O/c16-15(18)17-13-7-3-1-5-11(13)9-10-12-6-2-4-8-14(12)17/h1-10H,(H2,16,18)",FFGPTBGBLSHEPO-UHFFFAOYSA-N,Carbamazepine,2554
Carbaryl ,CNC(OC1=CC=CC2=CC=CC=C12)=O,C12H11NO2,7.7,224.0681986,147.98,[M+Na],1,"InChI=1S/C12H11NO2/c1-13-12(14)15-11-8-4-6-9-5-2-3-7-10(9)11/h2-8H,1H3,(H,13,14)",CVXBEEMKQHEXEN-UHFFFAOYSA-N,Carbaryl ,6129
Carbendazim,COC(NC1=NC2=CC=CC=C2N1)=O,C9H9N3O2,2.62,192.0767565,136.59,[M+H],1,"InChI=1S/C9H9N3O2/c1-14-9(13)12-8-10-6-4-2-3-5-7(6)11-8/h2-5H,1H3,(H2,10,11,12,13)",TWFZGCMQGLPBSX-UHFFFAOYSA-N,Carbendazim,25429
Carbetamide,O=C(C(C)OC(N([H])C1=CC=CC=C1)=O)N([H])CC,C12H16N2O3,6.51,271.0854924,164.45,[M+Cl],-1,"InChI=1S/C12H16N2O3/c1-3-13-11(15)9(2)17-12(16)14-10-7-5-4-6-8-10/h4-9H,3H2,1-2H3,(H,13,15)(H,14,16)",AMRQXHFXNZFDCH-UHFFFAOYSA-N,Carbetamide,27689
Carbetamide,O=C(C(C)OC(N([H])C1=CC=CC=C1)=O)N([H])CC,C12H16N2O3,6.53,259.1053124,166.63,[M+Na],1,"InChI=1S/C12H16N2O3/c1-3-13-11(15)9(2)17-12(16)14-10-7-5-4-6-8-10/h4-9H,3H2,1-2H3,(H,13,15)(H,14,16)",AMRQXHFXNZFDCH-UHFFFAOYSA-N,Carbetamide,27689
Carbofuran,O=C(NC)OC1=CC=CC2=C1OC(C)(C)C2,C12H15NO3,7.27,222.1124733,147.47,[M+H],1,"InChI=1S/C12H15NO3/c1-12(2)7-8-5-4-6-9(10(8)16-12)15-11(14)13-3/h4-6H,7H2,1-3H3,(H,13,14)",DUEPRVBVGDRKAG-UHFFFAOYSA-N,Carbofuran,2566
Carbofuran,O=C(NC)OC1=CC=CC2=C1OC(C)(C)C2,C12H15NO3,7.27,244.0944133,157.08,[M+Na],1,"InChI=1S/C12H15NO3/c1-12(2)7-8-5-4-6-9(10(8)16-12)15-11(14)13-3/h4-6H,7H2,1-3H3,(H,13,14)",DUEPRVBVGDRKAG-UHFFFAOYSA-N,Carbofuran,2566
Carbofuran-3-OH,OC1C(C)(C)OC2=C1C=CC=C2OC(N([H])C)=O,C12H15NO4,4.65,238.107388,149.06,[M+H],1,"InChI=1S/C12H15NO4/c1-12(2)10(14)7-5-4-6-8(9(7)17-12)16-11(15)13-3/h4-6,10,14H,1-3H3,(H,13,15)",RHSUJRQZTQNSLL-UHFFFAOYSA-N,Carbofuran-3-OH,27975
Carbofuran-3-OH,OC1C(C)(C)OC2=C1C=CC=C2OC(N([H])C)=O,C12H15NO4,4.65,260.089328,155.85,[M+Na],1,"InChI=1S/C12H15NO4/c1-12(2)10(14)7-5-4-6-8(9(7)17-12)16-11(15)13-3/h4-6,10,14H,1-3H3,(H,13,15)",RHSUJRQZTQNSLL-UHFFFAOYSA-N,Carbofuran-3-OH,27975
Carfentrazone ethyl,ClC1=CC(F)=C(C=C1CC(C(OCC)=O)Cl)N2N=C(C)N(C(F)F)C2=O,C15H14Cl2F3N3O3,11.61,412.0437112,179.54,[M+H],1,"InChI=1S/C15H14Cl2F3N3O3/c1-3-26-13(24)10(17)4-8-5-12(11(18)6-9(8)16)23-15(25)22(14(19)20)7(2)21-23/h5-6,10,14H,3-4H2,1-2H3",MLKCGVHIFJBRCD-UHFFFAOYSA-N,Carfentrazone ethyl,86222
Carfentrazone ethyl,ClC1=CC(F)=C(C=C1CC(C(OCC)=O)Cl)N2N=C(C)N(C(F)F)C2=O,C15H14Cl2F3N3O3,11.61,434.0256512,186.52,[M+Na],1,"InChI=1S/C15H14Cl2F3N3O3/c1-3-26-13(24)10(17)4-8-5-12(11(18)6-9(8)16)23-15(25)22(14(19)20)7(2)21-23/h5-6,10,14H,3-4H2,1-2H3",MLKCGVHIFJBRCD-UHFFFAOYSA-N,Carfentrazone ethyl,86222
CB-13,O=C(C1=CC=CC2=CC=CC=C12)C(C3=CC=CC=C34)=CC=C4OCCCCC,C26H24O2,15.54,369.18491,200.92,[M+H],1,"InChI=1S/C26H24O2/c1-2-3-8-18-28-25-17-16-24(21-13-6-7-14-22(21)25)26(27)23-15-9-11-19-10-4-5-12-20(19)23/h4-7,9-17H,2-3,8,18H2,1H3",RSUMDJRTAFBISX-UHFFFAOYSA-N,CB-13,9799417
Cefadroxil,CC1=C(N2[C@@H]([C@@H](C2=O)NC(=O)[C@@H](c3ccc(cc3)O)N)SC1)C(=O)O,C16H17N3O5S,2.52,362.0816118,183.31,[M-H],-1,"InChI=1S/C16H17N3O5S/c1-7-6-25-15-11(14(22)19(15)12(7)16(23)24)18-13(21)10(17)8-2-4-9(20)5-3-8/h2-5,10-11,15,20H,6,17H2,1H3,(H,18,21)(H,23,24)/t10-,11-,15-/m1/s1",BOEGTKLJZSQCCD-UEKVPHQBSA-N,Cefadroxil,47965
Cefotaxime,O=C1N2[C@]([C@@H]1N([H])C(/C(C3=CSC(N([H])[H])=N3)=N/OC)=O)([H])SCC(COC(C)=O)=C2C(O)=O,C16H17N5O7S2,3.48,454.0496603,204.79,[M-H],-1,"InChI=1S/C16H17N5O7S2/c1-6(22)28-3-7-4-29-14-10(13(24)21(14)11(7)15(25)26)19-12(23)9(20-27-2)8-5-30-16(17)18-8/h5,10,14H,3-4H2,1-2H3,(H2,17,18)(H,19,23)(H,25,26)/b20-9+/t10-,14-/m1/s1",GPRBEKHLDVQUJE-VINNURBNSA-N,Cefotaxime,5479527
Cefotaxime,O=C1N2[C@]([C@@H]1N([H])C(/C(C3=CSC(N([H])[H])=N3)=N/OC)=O)([H])SCC(COC(C)=O)=C2C(O)=O,C16H17N5O7S2,3.49,456.0642203,197.96,[M+H],1,"InChI=1S/C16H17N5O7S2/c1-6(22)28-3-7-4-29-14-10(13(24)21(14)11(7)15(25)26)19-12(23)9(20-27-2)8-5-30-16(17)18-8/h5,10,14H,3-4H2,1-2H3,(H2,17,18)(H,19,23)(H,25,26)/b20-9+/t10-,14-/m1/s1",GPRBEKHLDVQUJE-VINNURBNSA-N,Cefotaxime,5479527
Cefotaxime,O=C1N2[C@]([C@@H]1N([H])C(/C(C3=CSC(N([H])[H])=N3)=N/OC)=O)([H])SCC(COC(C)=O)=C2C(O)=O,C16H17N5O7S2,3.49,478.0461603,196.49,[M+Na],1,"InChI=1S/C16H17N5O7S2/c1-6(22)28-3-7-4-29-14-10(13(24)21(14)11(7)15(25)26)19-12(23)9(20-27-2)8-5-30-16(17)18-8/h5,10,14H,3-4H2,1-2H3,(H2,17,18)(H,19,23)(H,25,26)/b20-9+/t10-,14-/m1/s1",GPRBEKHLDVQUJE-VINNURBNSA-N,Cefotaxime,5479527
Ceftriaxone,O=C1N2[C@]([C@@H]1NC(/C(C3=CSC(N)=N3)=N\OC)=O)([H])SCC(CSC(N(C)NC4=O)=NC4=O)=C2C(O)=O,C18H18N8O7S3,15.18,553.0387785,214,[M-H],-1,"InChI=1S/C18H18N8O7S3/c1-25-18(22-12(28)13(29)23-25)36-4-6-3-34-15-9(14(30)26(15)10(6)16(31)32)21-11(27)8(24-33-2)7-5-35-17(19)20-7/h5,9,15H,3-4H2,1-2H3,(H2,19,20)(H,21,27)(H,23,29)(H,31,32)/b24-8-/t9-,15-/m1/s1",VAAUVRVFOQPIGI-SPQHTLEESA-N,Ceftriaxone,5479530
Ceftriaxone,O=C1N2[C@]([C@@H]1NC(/C(C3=CSC(N)=N3)=N\OC)=O)([H])SCC(CSC(N(C)NC4=O)=NC4=O)=C2C(O)=O,C18H18N8O7S3,3.25,555.0533385,215.06,[M+H],1,"InChI=1S/C18H18N8O7S3/c1-25-18(22-12(28)13(29)23-25)36-4-6-3-34-15-9(14(30)26(15)10(6)16(31)32)21-11(27)8(24-33-2)7-5-35-17(19)20-7/h5,9,15H,3-4H2,1-2H3,(H2,19,20)(H,21,27)(H,23,29)(H,31,32)/b24-8-/t9-,15-/m1/s1",VAAUVRVFOQPIGI-SPQHTLEESA-N,Ceftriaxone,5479530
Cefuroxime,CO/N=C(C1=CC=CO1)/C(N[C@@]2(C(N3C(C(O)=O)=C(CS[C@]23[H])COC(N)=O)=O)[H])=O,C16H16N4O8S,3.5,423.0616047,204.96,[M-H],-1,"InChI=1S/C16H16N4O8S/c1-26-19-9(8-3-2-4-27-8)12(21)18-10-13(22)20-11(15(23)24)7(5-28-16(17)25)6-29-14(10)20/h2-4,10,14H,5-6H2,1H3,(H2,17,25)(H,18,21)(H,23,24)/b19-9+/t10-,14-/m1/s1",JFPVXVDWJQMJEE-SWWZKJRFSA-N,Cefuroxime,5361202
Cefuroxime,CO/N=C(C1=CC=CO1)/C(N[C@@]2(C(N3C(C(O)=O)=C(CS[C@]23[H])COC(N)=O)=O)[H])=O,C16H16N4O8S,3.57,447.0581047,189.66,[M+Na],1,"InChI=1S/C16H16N4O8S/c1-26-19-9(8-3-2-4-27-8)12(21)18-10-13(22)20-11(15(23)24)7(5-28-16(17)25)6-29-14(10)20/h2-4,10,14H,5-6H2,1H3,(H2,17,25)(H,18,21)(H,23,24)/b19-9+/t10-,14-/m1/s1",JFPVXVDWJQMJEE-SWWZKJRFSA-N,Cefuroxime,5361202
Cephalexin,CC1=C(N2[C@@H]([C@@H](C2=O)NC(=O)[C@@H](c3ccccc3)N)SC1)C(=O)O,C16H17N3O4S,3.9,346.0866972,179.56,[M-H],-1,"InChI=1S/C16H17N3O4S/c1-8-7-24-15-11(14(21)19(15)12(8)16(22)23)18-13(20)10(17)9-5-3-2-4-6-9/h2-6,10-11,15H,7,17H2,1H3,(H,18,20)(H,22,23)/t10-,11-,15-/m1/s1",ZAIPMKNFIOOWCQ-UEKVPHQBSA-N,Cephalexin,27447
Chinomethionate,O=C1SC2=NC(C=C(C)C=C3)=C3N=C2S1,C10H6N2OS2,13.02,234.9994352,142.67,[M+H],1,"InChI=1S/C10H6N2OS2/c1-5-2-3-6-7(4-5)12-9-8(11-6)14-10(13)15-9/h2-4H,1H3",FBQQHUGEACOBDN-UHFFFAOYSA-N,Chinomethionate,17109
Chloramphenicol,ClC(C(N[C@@](CO)([H])[C@@H](C(C=C1)=CC=C1[N+]([O-])=O)O)=O)Cl,C11H12Cl2N2O5,5.16,321.0050469,167.48,[M-H],-1,"InChI=1S/C11H12Cl2N2O5/c12-10(13)11(18)14-8(5-16)9(17)6-1-3-7(4-2-6)15(19)20/h1-4,8-10,16-17H,5H2,(H,14,18)/t8-,9-/m1/s1",WIIZWVCIJKGZOK-RKDXNWHRSA-N,Chloramphenicol,5959
Chloramphenicol,ClC(C(N[C@@](CO)([H])[C@@H](C(C=C1)=CC=C1[N+]([O-])=O)O)=O)Cl,C11H12Cl2N2O5,5.2,305.0090469,170.28,[M+H-H2O],1,"InChI=1S/C11H12Cl2N2O5/c12-10(13)11(18)14-8(5-16)9(17)6-1-3-7(4-2-6)15(19)20/h1-4,8-10,16-17H,5H2,(H,14,18)/t8-,9-/m1/s1",WIIZWVCIJKGZOK-RKDXNWHRSA-N,Chloramphenicol,5959
Chloramphenicol,ClC(C(N[C@@](CO)([H])[C@@H](C(C=C1)=CC=C1[N+]([O-])=O)O)=O)Cl,C11H12Cl2N2O5,5.2,345.0015469,167,[M+Na],1,"InChI=1S/C11H12Cl2N2O5/c12-10(13)11(18)14-8(5-16)9(17)6-1-3-7(4-2-6)15(19)20/h1-4,8-10,16-17H,5H2,(H,14,18)/t8-,9-/m1/s1",WIIZWVCIJKGZOK-RKDXNWHRSA-N,Chloramphenicol,5959
Chlorfenapyr,CCOCn1c(c(c(c1C(F)(F)F)Br)C#N)c2ccc(cc2)Cl,C15H11BrClF3N2O,12.09,450.967738,190.4,[M+HCOO],-1,"InChI=1S/C15H11BrClF3N2O/c1-2-23-8-22-13(9-3-5-10(17)6-4-9)11(7-21)12(16)14(22)15(18,19)20/h3-6H,2,8H2,1H3",CWFOCCVIPCEQCK-UHFFFAOYSA-N,Chlorfenapyr,91778
Chlorfenvinphos,CCOP(O/C(C1=C(Cl)C=C(Cl)C=C1)=C\Cl)(OCC)=O,C12H14Cl3O4P,11.95,358.976809,167.12,[M+H],1,"InChI=1S/C12H14Cl3O4P/c1-3-17-20(16,18-4-2)19-12(8-13)10-6-5-9(14)7-11(10)15/h5-8H,3-4H2,1-2H3/b12-8-",FSAVDKDHPDSCTO-WQLSENKSSA-N,Chlorfenvinphos,5377784
Chlorfenvinphos,CCOP(O/C(C1=C(Cl)C=C(Cl)C=C1)=C\Cl)(OCC)=O,C12H14Cl3O4P,11.95,380.958749,178.46,[M+Na],1,"InChI=1S/C12H14Cl3O4P/c1-3-17-20(16,18-4-2)19-12(8-13)10-6-5-9(14)7-11(10)15/h5-8H,3-4H2,1-2H3/b12-8-",FSAVDKDHPDSCTO-WQLSENKSSA-N,Chlorfenvinphos,5377784
Chloridazon,NC(C=NN1C2=CC=CC=C2)=C(Cl)C1=O,C10H8ClN3O,4.53,220.0283096,143.06,[M-H],-1,"InChI=1S/C10H8ClN3O/c11-9-8(12)6-13-14(10(9)15)7-4-2-1-3-5-7/h1-6H,12H2",WYKYKTKDBLFHCY-UHFFFAOYSA-N,Chloridazon,15546
Chloridazon ,NC(C=NN1C2=CC=CC=C2)=C(Cl)C1=O,C10H8N3OCl,4.53,222.0428696,142.11,[M+H],1,"InChI=1S/C10H8ClN3O/c11-9-8(12)6-13-14(10(9)15)7-4-2-1-3-5-7/h1-6H,12H2",WYKYKTKDBLFHCY-UHFFFAOYSA-N,Chloridazon ,15546
Chloridazon ,NC(C=NN1C2=CC=CC=C2)=C(Cl)C1=O,C10H8N3OCl,4.53,244.0248096,156,[M+Na],1,"InChI=1S/C10H8ClN3O/c11-9-8(12)6-13-14(10(9)15)7-4-2-1-3-5-7/h1-6H,12H2",WYKYKTKDBLFHCY-UHFFFAOYSA-N,Chloridazon ,15546
Chlormadinon-17-acetate,ClC1=C[C@H]([C@H]2[C@](CC3)(C)C1=CC3=O)[C@H](CC4)[C@@](CC2)(C)[C@]4(C(C)=O)OC(C)=O,C23H29ClO4,11.55,405.1827171,199.43,[M+H],1,"InChI=1S/C23H29ClO4/c1-13(25)23(28-14(2)26)10-7-18-16-12-20(24)19-11-15(27)5-8-21(19,3)17(16)6-9-22(18,23)4/h11-12,16-18H,5-10H2,1-4H3/t16-,17+,18+,21-,22+,23+/m1/s1",QMBJSIBWORFWQT-DFXBJWIESA-N,Chlormadinon-17-acetate,9324
Chlorpromazine,CN(C)CCCN1C2=C(SC3=CC=C(Cl)C=C13)C=CC=C2,C17H19ClN2S,8.67,319.1030275,170,[M+H],1,"InChI=1S/C17H19ClN2S/c1-19(2)10-5-11-20-14-6-3-4-7-16(14)21-17-9-8-13(18)12-15(17)20/h3-4,6-9,12H,5,10-11H2,1-2H3",ZPEIMTDSQAKGNT-UHFFFAOYSA-N,Chlorpromazine,2726
Chlorpromazine,CN(C)CCCN1C2=C(SC3=CC=C(Cl)C=C13)C=CC=C2,C17H19ClN2S,8.67,341.0849675,179.38,[M+Na],1,"InChI=1S/C17H19ClN2S/c1-19(2)10-5-11-20-14-6-3-4-7-16(14)21-17-9-8-13(18)12-15(17)20/h3-4,6-9,12H,5,10-11H2,1-2H3",ZPEIMTDSQAKGNT-UHFFFAOYSA-N,Chlorpromazine,2726
Chlorpyrifos (ethyl),S=P(OCC)(OCC)OC(N=C1Cl)=C(Cl)C=C1Cl,C9H11Cl3NO3PS,13.69,349.9335645,163.12,[M+H],1,"InChI=1S/C9H11Cl3NO3PS/c1-3-14-17(18,15-4-2)16-9-7(11)5-6(10)8(12)13-9/h5H,3-4H2,1-2H3",SBPBAQFWLVIOKP-UHFFFAOYSA-N,Chlorpyrifos (ethyl),2730
Chlorpyrifos (ethyl),S=P(OCC)(OCC)OC(N=C1Cl)=C(Cl)C=C1Cl,C9H11Cl3NO3PS,13.69,371.9155045,169.86,[M+Na],1,"InChI=1S/C9H11Cl3NO3PS/c1-3-14-17(18,15-4-2)16-9-7(11)5-6(10)8(12)13-9/h5H,3-4H2,1-2H3",SBPBAQFWLVIOKP-UHFFFAOYSA-N,Chlorpyrifos (ethyl),2730
Chlorpyrifos-methyl,ClC1=C(N=C(C(Cl)=C1)Cl)OP(OC)(OC)=S,C7H7Cl3NO3PS,12.51,321.9022644,153.14,[M+H],1,"InChI=1S/C7H7Cl3NO3PS/c1-12-15(16,13-2)14-7-5(9)3-4(8)6(10)11-7/h3H,1-2H3",HRBKVYFZANMGRE-UHFFFAOYSA-N,Chlorpyrifos-methyl,21803
Chlorpyrifos-methyl,ClC1=C(N=C(C(Cl)=C1)Cl)OP(OC)(OC)=S,C7H7Cl3NO3PS,12.51,343.8842044,161.39,[M+Na],1,"InChI=1S/C7H7Cl3NO3PS/c1-12-15(16,13-2)14-7-5(9)3-4(8)6(10)11-7/h3H,1-2H3",HRBKVYFZANMGRE-UHFFFAOYSA-N,Chlorpyrifos-methyl,21803
Chlorsulfuron,ClC1=CC=CC=C1S(=O)(NC(NC2=NC(C)=NC(OC)=N2)=O)=O,C12H12ClN5O4S,7.89,356.0225728,179.87,[M-H],-1,"InChI=1S/C12H12ClN5O4S/c1-7-14-10(17-12(15-7)22-2)16-11(19)18-23(20,21)9-6-4-3-5-8(9)13/h3-6H,1-2H3,(H2,14,15,16,17,18,19)",VJYIFXVZLXQVHO-UHFFFAOYSA-N,Chlorsulfuron,47491
Chlorsulfuron,ClC1=CC=CC=C1S(=O)(NC(NC2=NC(C)=NC(OC)=N2)=O)=O,C12H12N5O4SCl,7.92,358.0371328,175.97,[M+H],1,"InChI=1S/C12H12ClN5O4S/c1-7-14-10(17-12(15-7)22-2)16-11(19)18-23(20,21)9-6-4-3-5-8(9)13/h3-6H,1-2H3,(H2,14,15,16,17,18,19)",VJYIFXVZLXQVHO-UHFFFAOYSA-N,Chlorsulfuron,47491
Chlorsulfuron,ClC1=CC=CC=C1S(=O)(NC(NC2=NC(C)=NC(OC)=N2)=O)=O,C12H12N5O4SCl,7.92,380.0190728,184.55,[M+Na],1,"InChI=1S/C12H12ClN5O4S/c1-7-14-10(17-12(15-7)22-2)16-11(19)18-23(20,21)9-6-4-3-5-8(9)13/h3-6H,1-2H3,(H2,14,15,16,17,18,19)",VJYIFXVZLXQVHO-UHFFFAOYSA-N,Chlorsulfuron,47491
Chlortetracycline,ClC(C1=C2C(C3=C([C@@]([C@H]([C@@H]4N(C)C)C[C@@H]3[C@]1(C)O)(C(C(C(N)=O)=C4O)=O)O)O)=O)=CC=C2O,C22H23ClN2O8,4.94,477.1070134,202.55,[M-H],-1,"InChI=1S/C22H23ClN2O8/c1-21(32)7-6-8-15(25(2)3)17(28)13(20(24)31)19(30)22(8,33)18(29)11(7)16(27)12-10(26)5-4-9(23)14(12)21/h4-5,7-8,15,26,28-29,32-33H,6H2,1-3H3,(H2,24,31)/t7-,8-,15-,21-,22-/m0/s1",CYDMQBQPVICBEU-XRNKAMNCSA-N,Chlortetracycline,54675777
Chlortetracycline,ClC(C1=C2C(C3=C([C@@]([C@H]([C@@H]4N(C)C)C[C@@H]3[C@]1(C)O)(C(C(C(N)=O)=C4O)=O)O)O)=O)=CC=C2O,C22H23ClN2O8,4.86,479.1215734,198.78,[M+H],1,"InChI=1S/C22H23ClN2O8/c1-21(32)7-6-8-15(25(2)3)17(28)13(20(24)31)19(30)22(8,33)18(29)11(7)16(27)12-10(26)5-4-9(23)14(12)21/h4-5,7-8,15,26,28-29,32-33H,6H2,1-3H3,(H2,24,31)/t7-,8-,15-,21-,22-/m0/s1",CYDMQBQPVICBEU-XRNKAMNCSA-N,Chlortetracycline,54675777
Chlortetracycline,ClC(C1=C2C(C3=C([C@@]([C@H]([C@@H]4N(C)C)C[C@@H]3[C@]1(C)O)(C(C(C(N)=O)=C4O)=O)O)O)=O)=CC=C2O,C22H23ClN2O8,4.86,501.1035134,210.11,[M+Na],1,"InChI=1S/C22H23ClN2O8/c1-21(32)7-6-8-15(25(2)3)17(28)13(20(24)31)19(30)22(8,33)18(29)11(7)16(27)12-10(26)5-4-9(23)14(12)21/h4-5,7-8,15,26,28-29,32-33H,6H2,1-3H3,(H2,24,31)/t7-,8-,15-,21-,22-/m0/s1",CYDMQBQPVICBEU-XRNKAMNCSA-N,Chlortetracycline,54675777
Cimaterol,OC(CNC(C)C)C(C=C1)=CC(C#N)=C1N,C12H17N3O,1.23,220.1444422,158.64,[M+H],1,"InChI=1S/C12H17N3O/c1-8(2)15-7-12(16)9-3-4-11(14)10(5-9)6-13/h3-5,8,12,15-16H,7,14H2,1-2H3",BUXRLJCGHZZYNE-UHFFFAOYSA-N,Cimaterol,2755
Cimbuterol,OC(C(C=C1)=CC(C#N)=C1N([H])[H])CN([H])C(C)(C)C,C13H19N3O,1.77,234.1600922,162.84,[M+H],1,"InChI=1S/C13H19N3O/c1-13(2,3)16-8-12(17)9-4-5-11(15)10(6-9)7-14/h4-6,12,16-17H,8,15H2,1-3H3",YKKQAXQGZIBJFS-UHFFFAOYSA-N,Cimbuterol,3027547
Ciprofloxacin protomer I,OC(C(C1=O)=CN(C2=C1C=C(F)C(N3CCNCC3)=C2)C4CC4)=O,C17H18FN3O3,3.3,332.1404996,175.38,[M+H],1,"InChI=1S/C17H18FN3O3/c18-13-7-11-14(8-15(13)20-5-3-19-4-6-20)21(10-1-2-10)9-12(16(11)22)17(23)24/h7-10,19H,1-6H2,(H,23,24)",MYSWGUAQZAJSOK-UHFFFAOYSA-N,Ciprofloxacin prot I,2764
Ciprofloxacin protomer II,OC(C(C1=O)=CN(C2=C1C=C(F)C(N3CCNCC3)=C2)C4CC4)=O,C17H18FN3O3,3.29,332.1404996,188.89,[M+H],1,"InChI=1S/C17H18FN3O3/c18-13-7-11-14(8-15(13)20-5-3-19-4-6-20)21(10-1-2-10)9-12(16(11)22)17(23)24/h7-10,19H,1-6H2,(H,23,24)",MYSWGUAQZAJSOK-UHFFFAOYSA-N,Ciprofloxacin prot II,2764
Ciprofloxacin protomer II,OC(C(C1=O)=CN(C2=C1C=C(F)C(N3CCNCC3)=C2)C4CC4)=O,C17H18FN3O3,3.29,354.1224396,190.42,[M+Na],1,"InChI=1S/C17H18FN3O3/c18-13-7-11-14(8-15(13)20-5-3-19-4-6-20)21(10-1-2-10)9-12(16(11)22)17(23)24/h7-10,19H,1-6H2,(H,23,24)",MYSWGUAQZAJSOK-UHFFFAOYSA-N,Ciprofloxacin prot II,2764
Clarithromycin,O[C@@]([C@@H](CC)OC([C@H](C)[C@H]([C@H](C)[C@H]([C@](C[C@@H](C)C1=O)(C)OC)O[C@@H]([C@@H]2O)O[C@H](C)C[C@@H]2N(C)C)O[C@@H]3O[C@@H](C)[C@@H]([C@](C3)(C)OC)O)=O)(C)[C@@H]([C@H]1C)O,C38H69NO13,9.2,748.4841713,271.25,[M+H],1,"InChI=1S/C38H69NO13/c1-15-26-38(10,45)31(42)21(4)28(40)19(2)17-37(9,47-14)33(52-35-29(41)25(39(11)12)16-20(3)48-35)22(5)30(23(6)34(44)50-26)51-27-18-36(8,46-13)32(43)24(7)49-27/h19-27,29-33,35,41-43,45H,15-18H2,1-14H3/t19-,20-,21+,22+,23-,24+,25+,26-,27+,29-,30+,31-,32+,33-,35+,36-,37-,38-/m1/s1",AGOYDEPGAOXOCK-KCBOHYOISA-N,Clarithromycin,84029
Clarithromycin,O[C@@]([C@@H](CC)OC([C@H](C)[C@H]([C@H](C)[C@H]([C@](C[C@@H](C)C1=O)(C)OC)O[C@@H]([C@@H]2O)O[C@H](C)C[C@@H]2N(C)C)O[C@@H]3O[C@@H](C)[C@@H]([C@](C3)(C)OC)O)=O)(C)[C@@H]([C@H]1C)O,C38H69NO13,9.2,770.4661113,270.84,[M+Na],1,"InChI=1S/C38H69NO13/c1-15-26-38(10,45)31(42)21(4)28(40)19(2)17-37(9,47-14)33(52-35-29(41)25(39(11)12)16-20(3)48-35)22(5)30(23(6)34(44)50-26)51-27-18-36(8,46-13)32(43)24(7)49-27/h19-27,29-33,35,41-43,45H,15-18H2,1-14H3/t19-,20-,21+,22+,23-,24+,25+,26-,27+,29-,30+,31-,32+,33-,35+,36-,37-,38-/m1/s1",AGOYDEPGAOXOCK-KCBOHYOISA-N,Clarithromycin,84029
Clenbuterol,ClC1=C(N)C(Cl)=CC(C(CNC(C)(C)C)O)=C1,C12H18Cl2N2O,3.82,277.0868986,164.81,[M+H],1,"InChI=1S/C12H18Cl2N2O/c1-12(2,3)16-6-10(17)7-4-8(13)11(15)9(14)5-7/h4-5,10,16-17H,6,15H2,1-3H3",STJMRWALKKWQGH-UHFFFAOYSA-N,Clenbuterol,2783
Clencyclohexerol,NC1=C(C=C(C(CNC2CCC(CC2)O)O)C=C1Cl)Cl,C14H20Cl2N2O2,2.5,319.0974633,175.28,[M+H],1,"InChI=1S/C14H20Cl2N2O2/c15-11-5-8(6-12(16)14(11)17)13(20)7-18-9-1-3-10(19)4-2-9/h5-6,9-10,13,18-20H,1-4,7,17H2",DKFLKXDTRUWFDL-UHFFFAOYSA-N,Clencyclohexerol,46783606
Clencyclohexerol,NC1=C(C=C(C(CNC2CCC(CC2)O)O)C=C1Cl)Cl,C14H20Cl2N2O2,2.5,341.0794033,189.05,[M+Na],1,"InChI=1S/C14H20Cl2N2O2/c15-11-5-8(6-12(16)14(11)17)13(20)7-18-9-1-3-10(19)4-2-9/h5-6,9-10,13,18-20H,1-4,7,17H2",DKFLKXDTRUWFDL-UHFFFAOYSA-N,Clencyclohexerol,46783606
Clenpenterol,ClC1=C(N)C(Cl)=CC(C(O)CNC(C)(C)CC)=C1,C13H20Cl2N2O,4.82,291.1025487,167.79,[M+H],1,"InChI=1S/C13H20Cl2N2O/c1-4-13(2,3)17-7-11(18)8-5-9(14)12(16)10(15)6-8/h5-6,11,17-18H,4,7,16H2,1-3H3",QVBOTMGSBYXVJQ-UHFFFAOYSA-N,Clenpenterol,170033
Clenproperol,ClC1=CC(C(CN([H])C(C)C)O)=CC(Cl)=C1N([H])[H],C11H16Cl2N2O,2.97,245.0606885,160.82,[M+H-H2O],1,"InChI=1S/C11H16Cl2N2O/c1-6(2)15-5-10(16)7-3-8(12)11(14)9(13)4-7/h3-4,6,10,15-16H,5,14H2,1-2H3",JXUDZCJTCKCTQK-UHFFFAOYSA-N,Clenproperol,217246
Clindamycin,Cl[C@@H](C)[C@@]([C@@]([C@@H]([C@@H]([C@H]1O)O)O)([H])O[C@@H]1SC)([H])NC([C@H]2N(C)C[C@H](CCC)C2)=O,C18H33ClN2O5S,6.28,423.172591,204.41,[M-H],-1,"InChI=1S/C18H33ClN2O5S/c1-5-6-10-7-11(21(3)8-10)17(25)20-12(9(2)19)16-14(23)13(22)15(24)18(26-16)27-4/h9-16,18,22-24H,5-8H2,1-4H3,(H,20,25)/t9-,10+,11-,12+,13-,14+,15+,16+,18+/m0/s1",KDLRVYVGXIQJDK-AWPVFWJPSA-N,Clindamycin,446598
Clindamycin,Cl[C@@H](C)[C@@]([C@@]([C@@H]([C@@H]([C@H]1O)O)O)([H])O[C@@H]1SC)([H])NC([C@H]2N(C)C[C@H](CCC)C2)=O,C18H33ClN2O5S,6.48,425.187151,202.49,[M+H],1,"InChI=1S/C18H33ClN2O5S/c1-5-6-10-7-11(21(3)8-10)17(25)20-12(9(2)19)16-14(23)13(22)15(24)18(26-16)27-4/h9-16,18,22-24H,5-8H2,1-4H3,(H,20,25)/t9-,10+,11-,12+,13-,14+,15+,16+,18+/m0/s1",KDLRVYVGXIQJDK-AWPVFWJPSA-N,Clindamycin,446598
Clindamycin,Cl[C@@H](C)[C@@]([C@@]([C@@H]([C@@H]([C@H]1O)O)O)([H])O[C@@H]1SC)([H])NC([C@H]2N(C)C[C@H](CCC)C2)=O,C18H33ClN2O5S,6.48,447.169091,209.07,[M+Na],1,"InChI=1S/C18H33ClN2O5S/c1-5-6-10-7-11(21(3)8-10)17(25)20-12(9(2)19)16-14(23)13(22)15(24)18(26-16)27-4/h9-16,18,22-24H,5-8H2,1-4H3,(H,20,25)/t9-,10+,11-,12+,13-,14+,15+,16+,18+/m0/s1",KDLRVYVGXIQJDK-AWPVFWJPSA-N,Clindamycin,446598
Clodinafop-Propargyl,C#CCOC([C@@H](C)OC(C=C1)=CC=C1OC(N=C2)=C(F)C=C2Cl)=O,C17H13ClFNO4,11.6,350.0589938,180.36,[M+H],1,"InChI=1S/C17H13ClFNO4/c1-3-8-22-17(21)11(2)23-13-4-6-14(7-5-13)24-16-15(19)9-12(18)10-20-16/h1,4-7,9-11H,8H2,2H3/t11-/m1/s1",JBDHZKLJNAIJNC-LLVKDONJSA-N,Clodinafop-Propargyl,92431
Clodinafop-Propargyl,C#CCOC([C@@H](C)OC(C=C1)=CC=C1OC(N=C2)=C(F)C=C2Cl)=O,C17H13ClFNO4,11.6,372.0409338,175.52,[M+Na],1,"InChI=1S/C17H13ClFNO4/c1-3-8-22-17(21)11(2)23-13-4-6-14(7-5-13)24-16-15(19)9-12(18)10-20-16/h1,4-7,9-11H,8H2,2H3/t11-/m1/s1",JBDHZKLJNAIJNC-LLVKDONJSA-N,Clodinafop-Propargyl,92431
Clofibric acid,CC(C)(C(=O)O)Oc1ccc(cc1)Cl,C10H11ClO3,9.44,213.0323919,149.4,[M-H],-1,"InChI=1S/C10H11ClO3/c1-10(2,9(12)13)14-8-5-3-7(11)4-6-8/h3-6H,1-2H3,(H,12,13)",TXCGAZHTZHNUAI-UHFFFAOYSA-N,Clofibric acid,2797
Clomazone,O=C1N(CC2=C(Cl)C=CC=C2)OCC1(C)C,C12H14ClNO2,9.43,240.0785864,146.72,[M+H],1,"InChI=1S/C12H14ClNO2/c1-12(2)8-16-14(11(12)15)7-9-5-3-4-6-10(9)13/h3-6H,7-8H2,1-2H3",KIEDNEWSYUYDSN-UHFFFAOYSA-N,Clomazone,54778
Clomazone,O=C1N(CC2=C(Cl)C=CC=C2)OCC1(C)C,C12H14ClNO2,9.43,262.0605264,158.79,[M+Na],1,"InChI=1S/C12H14ClNO2/c1-12(2)8-16-14(11(12)15)7-9-5-3-4-6-10(9)13/h3-6H,7-8H2,1-2H3",KIEDNEWSYUYDSN-UHFFFAOYSA-N,Clomazone,54778
Clopidogrel,ClC1=CC=CC=C1[C@@H](C(OC)=O)N(CC2)CC3=C2SC=C3,C16H16ClNO2S,11.13,322.0663076,168.65,[M+H],1,"InChI=1S/C16H16ClNO2S/c1-20-16(19)15(12-4-2-3-5-13(12)17)18-8-6-14-11(10-18)7-9-21-14/h2-5,7,9,15H,6,8,10H2,1H3/t15-/m0/s1",GKTWGGQPFAXNFI-HNNXBMFYSA-N,Clopidogrel,60606
Clopidogrel carboxylic acid,ClC1=CC=CC=C1C(C(O)=O)N2CCC(SC=C3)=C3C2,C15H14ClNO2S,5.39,308.0506576,164.07,[M+H],1,"InChI=1S/C15H14ClNO2S/c16-12-4-2-1-3-11(12)14(15(18)19)17-7-5-13-10(9-17)6-8-20-13/h1-4,6,8,14H,5,7,9H2,(H,18,19)",DCASRSISIKYPDD-UHFFFAOYSA-N,Clopidogrel carboxylic acid,4129546
Clorprenaline,ClC1=CC=CC=C1C(CN([H])C(C)C)O,C11H16ClNO,3.51,214.0993218,146.89,[M+H],1,"InChI=1S/C11H16ClNO/c1-8(2)13-7-11(14)9-5-3-4-6-10(9)12/h3-6,8,11,13-14H,7H2,1-2H3",SSMSBSWKLKKXGG-UHFFFAOYSA-N,Clorprenaline,2810
Clothianidin,C/N=C(N[N+]([O-])=O)/NCC(S1)=CN=C1Cl,C6H8ClN5O2S,3.94,248.0014434,152.55,[M-H],-1,"InChI=1S/C6H8ClN5O2S/c1-8-6(11-12(13)14)10-3-4-2-9-5(7)15-4/h2H,3H2,1H3,(H2,8,10,11)",PGOOBECODWQEAB-UHFFFAOYSA-N,Clothianidin,213027
Clothianidin,C/N=C(N[N+]([O-])=O)/NCC(S1)=CN=C1Cl,C6H8ClN5O2S,3.93,250.0160034,151.65,[M+H],1,"InChI=1S/C6H8ClN5O2S/c1-8-6(11-12(13)14)10-3-4-2-9-5(7)15-4/h2H,3H2,1H3,(H2,8,10,11)",PGOOBECODWQEAB-UHFFFAOYSA-N,Clothianidin,213027
Clothianidin,C/N=C(N[N+]([O-])=O)/NCC(S1)=CN=C1Cl,C6H8ClN5O2S,3.93,271.9979434,160.71,[M+Na],1,"InChI=1S/C6H8ClN5O2S/c1-8-6(11-12(13)14)10-3-4-2-9-5(7)15-4/h2H,3H2,1H3,(H2,8,10,11)",PGOOBECODWQEAB-UHFFFAOYSA-N,Clothianidin,213027
Cloxacillin,Cc1c(c(no1)c2ccccc2Cl)C(=O)N[C@H]3[C@@H]4N(C3=O)[C@H](C(S4)(C)C)C(=O)O,C19H18ClN3O5S,8.88,434.0582896,200.94,[M-H],-1,"InChI=1S/C19H18ClN3O5S/c1-8-11(12(22-28-8)9-6-4-5-7-10(9)20)15(24)21-13-16(25)23-14(18(26)27)19(2,3)29-17(13)23/h4-7,13-14,17H,1-3H3,(H,21,24)(H,26,27)/t13-,14+,17-/m1/s1",LQOLIRLGBULYKD-JKIFEVAISA-N,Cloxacillin,6098
Cocaine,O=C([C@H]1[C@]2([H])N(C)[C@@](C[C@@H]1OC(C3=CC=CC=C3)=O)([H])CC2)OC,C17H21NO4,4.24,304.1543382,169.74,[M+H],1,"InChI=1S/C17H21NO4/c1-18-12-8-9-13(18)15(17(20)21-2)14(10-12)22-16(19)11-6-4-3-5-7-11/h3-7,12-15H,8-10H2,1-2H3/t12-,13+,14-,15-/m0/s1",ZPUCINDJVBIVPJ-XGUBFFRZSA-N,Cocaine,644005
Codeine,O[C@@H]1[C@]2([H])OC3=C(C4=CC=C3OC)[C@]25[C@](C=C1)([H])[C@@H](C4)N(C)CC5,C18H21NO3,1.77,300.1594235,168.52,[M+H],1,"InChI=1S/C18H21NO3/c1-19-8-7-18-11-4-5-13(20)17(18)22-16-14(21-2)6-3-10(15(16)18)9-12(11)19/h3-6,11-13,17,20H,7-9H2,1-2H3/t11-,12+,13-,17-,18-/m0/s1",OROGSEYTTFOCAN-DNJOTXNNSA-N,Codeine,5284371
Codeine,O[C@@H]1[C@]2([H])OC3=C(C4=CC=C3OC)[C@]25[C@](C=C1)([H])[C@@H](C4)N(C)CC5,C18H21NO3,1.77,322.1413635,173.43,[M+Na],1,"InChI=1S/C18H21NO3/c1-19-8-7-18-11-4-5-13(20)17(18)22-16-14(21-2)6-3-10(15(16)18)9-12(11)19/h3-6,11-13,17,20H,7-9H2,1-2H3/t11-,12+,13-,17-,18-/m0/s1",OROGSEYTTFOCAN-DNJOTXNNSA-N,Codeine,5284371
Coumaphos,ClC1=C(C)C(C=C2)=C(C=C2OP(OCC)(OCC)=S)OC1=O,C14H16ClO5PS,11.81,361.0071795,184.54,[M-H],-1,"InChI=1S/C14H16ClO5PS/c1-4-17-21(22,18-5-2)20-10-6-7-11-9(3)13(15)14(16)19-12(11)8-10/h6-8H,4-5H2,1-3H3",BXNANOICGRISHX-UHFFFAOYSA-N,Coumaphos,2871
Coumaphos,ClC1=C(C)C(C=C2)=C(C=C2OP(OCC)(OCC)=S)OC1=O,C14H16ClO5PS,11.84,363.0217395,180.5,[M+H],1,"InChI=1S/C14H16ClO5PS/c1-4-17-21(22,18-5-2)20-10-6-7-11-9(3)13(15)14(16)19-12(11)8-10/h6-8H,4-5H2,1-3H3",BXNANOICGRISHX-UHFFFAOYSA-N,Coumaphos,2871
Coumaphos,ClC1=C(C)C(C=C2)=C(C=C2OP(OCC)(OCC)=S)OC1=O,C14H16ClO5PS,11.84,385.0036795,204.34,[M+Na],1,"InChI=1S/C14H16ClO5PS/c1-4-17-21(22,18-5-2)20-10-6-7-11-9(3)13(15)14(16)19-12(11)8-10/h6-8H,4-5H2,1-3H3",BXNANOICGRISHX-UHFFFAOYSA-N,Coumaphos,2871
Crystal Violet (quat N+),CN(C)C1=CC=C(C=C1)/C(C(C=C2)=CC=C2N(C)C)=C(C=C/3)/C=CC3=[N+](C)\C,C25H30N3,9.72,373.2507044,207.3,[M+H],1,"InChI=1S/C25H30N3/c1-26(2)22-13-7-19(8-14-22)25(20-9-15-23(16-10-20)27(3)4)21-11-17-24(18-12-21)28(5)6/h7-18H,1-6H3/q+1",LGLFFNDHMLKUMI-UHFFFAOYSA-N,Crystal Violet (quat N+),3468
Cyanazine,ClC1=NC(NCC)=NC(NC(C)(C)C#N)=N1,C9H13ClN6,6.73,241.0963021,155.79,[M+H],1,"InChI=1S/C9H13ClN6/c1-4-12-7-13-6(10)14-8(15-7)16-9(2,3)5-11/h4H2,1-3H3,(H2,12,13,14,15,16)",MZZBPDKVEFVLFF-UHFFFAOYSA-N,Cyanazine,30773
Cyanazine,ClC1=NC(NCC)=NC(NC(C)(C)C#N)=N1,C9H13ClN6,6.73,263.0782421,162.93,[M+Na],1,"InChI=1S/C9H13ClN6/c1-4-12-7-13-6(10)14-8(15-7)16-9(2,3)5-11/h4H2,1-3H3,(H2,12,13,14,15,16)",MZZBPDKVEFVLFF-UHFFFAOYSA-N,Cyanazine,30773
Cyanophos,S=P(OC)(OC)OC1=CC=C(C#N)C=C1,C9H10NO3PS,8.79,244.0191814,148.63,[M+H],1,"InChI=1S/C9H10NO3PS/c1-11-14(15,12-2)13-9-5-3-8(7-10)4-6-9/h3-6H,1-2H3",SCKHCCSZFPSHGR-UHFFFAOYSA-N,Cyanophos,17522
Cylindrospermopsin,O[C@@H](C(NC(N1)=O)=CC1=O)[C@]2([H])N=C(NC3)N([C@@](C4)([H])C2)[C@@]3([H])[C@@H](C)[C@H]4OS(=O)(O)=O,C15H21N5O7S,0.81,416.1234492,199.45,[M+H],1,"InChI=1S/C15H21N5O7S/c1-6-10-5-16-14-17-8(13(22)9-4-12(21)19-15(23)18-9)2-7(20(10)14)3-11(6)27-28(24,25)26/h4,6-8,10-11,13,22H,2-3,5H2,1H3,(H,16,17)(H,24,25,26)(H2,18,19,21,23)/t6-,7+,8-,10-,11+,13-/m1/s1",LHJPHMKIGRLKDR-VDPNAHCISA-N,Cylindrospermopsin,42628600
Cyproconazol isomer 1,ClC1=CC=C(C=C1)C(C(C)C2CC2)(CN3N=CN=C3)O,C15H18ClN3O,10.4,292.1211199,168.6,[M+H],1,"InChI=1S/C15H18ClN3O/c1-11(12-2-3-12)15(20,8-19-10-17-9-18-19)13-4-6-14(16)7-5-13/h4-7,9-12,20H,2-3,8H2,1H3",UFNOUKDBUJZYDE-UHFFFAOYSA-N,Cyproconazol 1,86132
Cyproconazol isomer 2,ClC1=CC=C(C=C1)C(C(C)C2CC2)(CN3N=CN=C3)O,C15H18ClN3O,10.7,292.1211199,168.59,[M+H],1,"InChI=1S/C15H18ClN3O/c1-11(12-2-3-12)15(20,8-19-10-17-9-18-19)13-4-6-14(16)7-5-13/h4-7,9-12,20H,2-3,8H2,1H3",UFNOUKDBUJZYDE-UHFFFAOYSA-N,Cyproconazol 2,86132
Cyprodinil,CC1=CC(C2CC2)=NC(NC3=CC=CC=C3)=N1,C14H15N3,5.37,270.1247975,177.42,[M+HCOO],-1,"InChI=1S/C14H15N3/c1-10-9-13(11-7-8-11)17-14(15-10)16-12-5-3-2-4-6-12/h2-6,9,11H,7-8H2,1H3,(H,15,16,17)",HAORKNGNJCEJBX-UHFFFAOYSA-N,Cyprodinil,86367
Cyprodinil,CC1=CC(C2CC2)=NC(NC3=CC=CC=C3)=N1,C14H15N3,10.92,226.1338775,153.59,[M+H],1,"InChI=1S/C14H15N3/c1-10-9-13(11-7-8-11)17-14(15-10)16-12-5-3-2-4-6-12/h2-6,9,11H,7-8H2,1H3,(H,15,16,17)",HAORKNGNJCEJBX-UHFFFAOYSA-N,Cyprodinil,86367
"D,L O-Desmethyl Venlafaxine",CN(CC(C1(CCCCC1)O)C2=CC=C(O)C=C2)C,C16H25NO2,3.69,264.195809,166.9,[M+H],1,"InChI=1S/C16H25NO2/c1-17(2)12-15(13-6-8-14(18)9-7-13)16(19)10-4-3-5-11-16/h6-9,15,18-19H,3-5,10-12H2,1-2H3",KYYIDSXMWOZKMP-UHFFFAOYSA-N,"D,L O-Desmethyl Venlafaxine",125017
Danofloxacin,FC(C(N(C1)[C@@]2([H])C[C@]1([H])N(C)C2)=C3)=CC(C(C(C(O)=O)=C4)=O)=C3N4C5CC5,C19H20FN3O3,3.55,358.1561497,182.85,[M+H],1,"InChI=1S/C19H20FN3O3/c1-21-7-12-4-11(21)8-22(12)17-6-16-13(5-15(17)20)18(24)14(19(25)26)9-23(16)10-2-3-10/h5-6,9-12H,2-4,7-8H2,1H3,(H,25,26)/t11-,12-/m0/s1",QMLVECGLEOSESV-RYUDHWBXSA-N,Danofloxacin,71335
Dapsone,O=S(C1=CC=C(C=C1)N)(C2=CC=C(C=C2)N)=O,C12H12N2O2S,4.08,247.0546688,157.98,[M-H],-1,"InChI=1S/C12H12N2O2S/c13-9-1-5-11(6-2-9)17(15,16)12-7-3-10(14)4-8-12/h1-8H,13-14H2",MQJKPEGWNLWLTK-UHFFFAOYSA-N,Dapsone,2955
Dapsone,O=S(C1=CC=C(C=C1)N)(C2=CC=C(C=C2)N)=O,C12H12N2O2S,2.84,249.0692288,152.42,[M+H],1,"InChI=1S/C12H12N2O2S/c13-9-1-5-11(6-2-9)17(15,16)12-7-3-10(14)4-8-12/h1-8H,13-14H2",MQJKPEGWNLWLTK-UHFFFAOYSA-N,Dapsone,2955
Dapsone,O=S(C1=CC=C(C=C1)N)(C2=CC=C(C=C2)N)=O,C12H12N2O2S,2.84,271.0511688,169.64,[M+Na],1,"InChI=1S/C12H12N2O2S/c13-9-1-5-11(6-2-9)17(15,16)12-7-3-10(14)4-8-12/h1-8H,13-14H2",MQJKPEGWNLWLTK-UHFFFAOYSA-N,Dapsone,2955
Deethylatrazine,ClC1=NC(NC(C)C)=NC(N)=N1,C6H10N5Cl,5.1,188.069753,139.64,[M+H],1,"InChI=1S/C6H10ClN5/c1-3(2)9-6-11-4(7)10-5(8)12-6/h3H,1-2H3,(H3,8,9,10,11,12)",DFWFIQKMSFGDCQ-UHFFFAOYSA-N,Deethylatrazine,22563
Deethylterbumeton ,CC(C)(C)N([H])C1=NC(OC)=NC(N([H])[H])=N1,C8H15N5O,5.35,198.1349401,146.07,[M+H],1,"InChI=1S/C8H15N5O/c1-8(2,3)13-6-10-5(9)11-7(12-6)14-4/h1-4H3,(H3,9,10,11,12,13)",HSYISQLUXXBNFW-UHFFFAOYSA-N,Deethylterbumeton ,185719
Deisopropylatrazine (DIA),NC1=NC(Cl)=NC(NCC)=N1,C5H8N5Cl,3.43,174.054103,132.85,[M+H],1,"InChI=1S/C5H8ClN5/c1-2-8-5-10-3(6)9-4(7)11-5/h2H2,1H3,(H3,7,8,9,10,11)",IVENSCMCQBJAKW-UHFFFAOYSA-N,Deisopropylatrazine (DIA),13878
Deltamethrin,Br/C(Br)=C/[C@@H]1C(C)(C)[C@@H]1C(O[C@H](C#N)C2=CC=CC(OC3=CC=CC=C3)=C2)=O,C22H19NO3Br2,14.42,525.962389,206.32,[M+Na],1,"InChI=1S/C22H19Br2NO3/c1-22(2)17(12-19(23)24)20(22)21(26)28-18(13-25)14-7-6-10-16(11-14)27-15-8-4-3-5-9-15/h3-12,17-18,20H,1-2H3/t17-,18+,20-/m0/s1",OWZREIFADZCYQD-NSHGMRRFSA-N,Deltamethrin,40585
Demeton-S-methyl ,O=P(OC)(OC)SCCSCC,C6H15O3PS2,7.35,253.0092437,150.48,[M+Na],1,"InChI=1S/C6H15O3PS2/c1-4-11-5-6-12-10(7,8-2)9-3/h4-6H2,1-3H3",WEBQKRLKWNIYKK-UHFFFAOYSA-N,Demeton-S-methyl ,13526
Demeton-S-methyl sulfon,O=P(OC)(OC)SCCS(=O)(CC)=O,C6H15O5PS2,3.04,263.0171329,142.87,[M+H],1,"InChI=1S/C6H15O5PS2/c1-4-14(8,9)6-5-13-12(7,10-2)11-3/h4-6H2,1-3H3",PZIRJMYRYORVIT-UHFFFAOYSA-N,Demeton-S-methyl sulfon,28213
Demeton-S-methyl sulfon,O=P(OC)(OC)SCCS(=O)(CC)=O,C6H15O5PS2,3.04,284.9990729,152.23,[M+Na],1,"InChI=1S/C6H15O5PS2/c1-4-14(8,9)6-5-13-12(7,10-2)11-3/h4-6H2,1-3H3",PZIRJMYRYORVIT-UHFFFAOYSA-N,Demeton-S-methyl sulfon,28213
Deoxynivalenol,O[C@H]1[C@@]2([H])O[C@@](C=C(C)C3=O)([H])[C@@]([C@@H]3O)(CO)[C@](C1)(C)[C@@]24OC4,C15H20O6,2.52,341.1241884,169.59,[M+HCOO],-1,"InChI=1S/C15H20O6/c1-7-3-9-14(5-16,11(19)10(7)18)13(2)4-8(17)12(21-9)15(13)6-20-15/h3,8-9,11-12,16-17,19H,4-6H2,1-2H3/t8-,9-,11-,12-,13-,14-,15+/m1/s1",LINOMUASTDIRTM-QGRHZQQGSA-N,Deoxynivalenol,40024
Deoxynivalenol,O[C@H]1[C@@]2([H])O[C@@](C=C(C)C3=O)([H])[C@@]([C@@H]3O)(CO)[C@](C1)(C)[C@@]24OC4,C15H20O6,2.48,319.1152084,171.51,[M+Na],1,"InChI=1S/C15H20O6/c1-7-3-9-14(5-16,11(19)10(7)18)13(2)4-8(17)12(21-9)15(13)6-20-15/h3,8-9,11-12,16-17,19H,4-6H2,1-2H3/t8-,9-,11-,12-,13-,14-,15+/m1/s1",LINOMUASTDIRTM-QGRHZQQGSA-N,Deoxynivalenol,40024
Desethyl terbuthylazine,NC1=NC(Cl)=NC(NC(C)(C)C)=N1,C7H12N5Cl,7.6,202.0854031,144.71,[M+H],1,"InChI=1S/C7H12ClN5/c1-7(2,3)13-6-11-4(8)10-5(9)12-6/h1-3H3,(H3,9,10,11,12,13)",LMKQNTMFZLAJDV-UHFFFAOYSA-N,Desethyl terbuthylazine,108201
Diazinon ,S=P(OCC)(OCC)OC1=CC(C)=NC(C(C)C)=N1,C12H21N2O3PS,11.94,305.1083307,173.38,[M+H],1,"InChI=1S/C12H21N2O3PS/c1-6-15-18(19,16-7-2)17-11-8-10(5)13-12(14-11)9(3)4/h8-9H,6-7H2,1-5H3",FHIVAFMUCKRCQO-UHFFFAOYSA-N,Diazinon ,3017
Dichlofenthion ,ClC1=C(C=CC(Cl)=C1)OP(OCC)(OCC)=S,C10H13Cl2O3PS,13.55,314.9772879,158.04,[M+H],1,"InChI=1S/C10H13Cl2O3PS/c1-3-13-16(17,14-4-2)15-10-6-5-8(11)7-9(10)12/h5-7H,3-4H2,1-2H3",WGOWCPGHOCIHBW-UHFFFAOYSA-N,Dichlofenthion ,7328
Dichloran,NC1=C(Cl)C=C([N+]([O-])=O)C=C1Cl,C6H4Cl2N2O2,8.66,204.9577028,129.45,[M-H],-1,"InChI=1S/C6H4Cl2N2O2/c7-4-1-3(10(11)12)2-5(8)6(4)9/h1-2H,9H2",BIXZHMJUSMUDOQ-UHFFFAOYSA-N,Dichloran,7430
Dichloran,NC1=C(Cl)C=C([N+]([O-])=O)C=C1Cl,C6H4Cl2N2O2,8.73,206.9722628,132.54,[M+H],1,"InChI=1S/C6H4Cl2N2O2/c7-4-1-3(10(11)12)2-5(8)6(4)9/h1-2H,9H2",BIXZHMJUSMUDOQ-UHFFFAOYSA-N,Dichloran,7430
Dichlorvos,Cl/C(Cl)=C/OP(OC)(OC)=O,C4H7Cl2O4P,7.01,220.9531811,133.43,[M+H],1,"InChI=1S/C4H7Cl2O4P/c1-8-11(7,9-2)10-3-4(5)6/h3H,1-2H3",OEBRKCOSUFCWJD-UHFFFAOYSA-N,Dichlorvos,3039
Dichlorvos,Cl/C(Cl)=C/OP(OC)(OC)=O,C4H7Cl2O4P,7.01,242.9351211,149.94,[M+Na],1,"InChI=1S/C4H7Cl2O4P/c1-8-11(7,9-2)10-3-4(5)6/h3H,1-2H3",OEBRKCOSUFCWJD-UHFFFAOYSA-N,Dichlorvos,3039
Diclofenac,OC(CC1=C(C=CC=C1)NC(C(Cl)=CC=C2)=C2Cl)=O,C14H11Cl2NO2,11.44,294.009404,162.87,[M-H],-1,"InChI=1S/C14H11Cl2NO2/c15-10-5-3-6-11(16)14(10)17-12-7-2-1-4-9(12)8-13(18)19/h1-7,17H,8H2,(H,18,19)",DCOPUUMXTXDBNB-UHFFFAOYSA-N,Diclofenac,3033
Diclofenac,OC(CC1=C(C=CC=C1)NC(C(Cl)=CC=C2)=C2Cl)=O,C14H11Cl2NO2,11.5,296.023964,156.92,[M+H],1,"InChI=1S/C14H11Cl2NO2/c15-10-5-3-6-11(16)14(10)17-12-7-2-1-4-9(12)8-13(18)19/h1-7,17H,8H2,(H,18,19)",DCOPUUMXTXDBNB-UHFFFAOYSA-N,Diclofenac,3033
Diclofenac,OC(CC1=C(C=CC=C1)NC(C(Cl)=CC=C2)=C2Cl)=O,C14H11Cl2NO2,11.5,318.005904,163.79,[M+Na],1,"InChI=1S/C14H11Cl2NO2/c15-10-5-3-6-11(16)14(10)17-12-7-2-1-4-9(12)8-13(18)19/h1-7,17H,8H2,(H,18,19)",DCOPUUMXTXDBNB-UHFFFAOYSA-N,Diclofenac,3033
Dicloxacillin,ClC1=C(C(Cl)=CC=C1)C2=NOC(C)=C2C(N[C@H]3[C@@]4([H])SC(C)(C)[C@H](C(O)=O)N4C3=O)=O,C19H17Cl2N3O5S,9.49,468.0193172,203.78,[M-H],-1,"InChI=1S/C19H17Cl2N3O5S/c1-7-10(12(23-29-7)11-8(20)5-4-6-9(11)21)15(25)22-13-16(26)24-14(18(27)28)19(2,3)30-17(13)24/h4-6,13-14,17H,1-3H3,(H,22,25)(H,27,28)/t13-,14+,17-/m1/s1",YFAGHNZHGGCZAX-JKIFEVAISA-N,Dicloxacillin,18381
Dicloxacillin,ClC1=C(C(Cl)=CC=C1)C2=NOC(C)=C2C(N[C@H]3[C@@]4([H])SC(C)(C)[C@H](C(O)=O)N4C3=O)=O,C19H17Cl2N3O5S,9.57,470.0338772,194.18,[M+H],1,"InChI=1S/C19H17Cl2N3O5S/c1-7-10(12(23-29-7)11-8(20)5-4-6-9(11)21)15(25)22-13-16(26)24-14(18(27)28)19(2,3)30-17(13)24/h4-6,13-14,17H,1-3H3,(H,22,25)(H,27,28)/t13-,14+,17-/m1/s1",YFAGHNZHGGCZAX-JKIFEVAISA-N,Dicloxacillin,18381
Dicloxacillin,ClC1=C(C(Cl)=CC=C1)C2=NOC(C)=C2C(N[C@H]3[C@@]4([H])SC(C)(C)[C@H](C(O)=O)N4C3=O)=O,C19H17Cl2N3O5S,9.57,492.0158172,204.04,[M+Na],1,"InChI=1S/C19H17Cl2N3O5S/c1-7-10(12(23-29-7)11-8(20)5-4-6-9(11)21)15(25)22-13-16(26)24-14(18(27)28)19(2,3)30-17(13)24/h4-6,13-14,17H,1-3H3,(H,22,25)(H,27,28)/t13-,14+,17-/m1/s1",YFAGHNZHGGCZAX-JKIFEVAISA-N,Dicloxacillin,18381
Dicrotophos,O=P(OC)(OC)O/C(C)=C/C(N(C)C)=O,C8H16NO5P,3.81,238.0838896,147.52,[M+H],1,"InChI=1S/C8H16NO5P/c1-7(6-8(10)9(2)3)14-15(11,12-4)13-5/h6H,1-5H3/b7-6+",VEENJGZXVHKXNB-VOTSOKGWSA-N,Dicrotophos,5371560
Dicrotophos,O=P(OC)(OC)O/C(C)=C/C(N(C)C)=O,C8H16NO5P,3.81,260.0658296,151.23,[M+Na],1,"InChI=1S/C8H16NO5P/c1-7(6-8(10)9(2)3)14-15(11,12-4)13-5/h6H,1-5H3/b7-6+",VEENJGZXVHKXNB-VOTSOKGWSA-N,Dicrotophos,5371560
Diethylstilbestrol,CC/C(=C(/CC)\c1ccc(cc1)O)/c2ccc(cc2)O,C18H20O2,10.16,267.1390499,175.64,[M-H],-1,"InChI=1S/C18H20O2/c1-3-17(13-5-9-15(19)10-6-13)18(4-2)14-7-11-16(20)12-8-14/h5-12,19-20H,3-4H2,1-2H3/b18-17+",RGLYKWWBQGJZGM-ISLYRVAYSA-N,Diethylstilbestrol,448537
Difenoconazole,ClC1=CC(OC(C=C2)=CC=C2Cl)=CC=C1C3(CN4N=CN=C4)OC(C)CO3,C19H17Cl2N3O3,12.41,406.0719768,200.99,[M+H],1,"InChI=1S/C19H17Cl2N3O3/c1-13-9-25-19(27-13,10-24-12-22-11-23-24)17-7-6-16(8-18(17)21)26-15-4-2-14(20)3-5-15/h2-8,11-13H,9-10H2,1H3",BQYJATMQXGBDHF-UHFFFAOYSA-N,Difenoconazole,86173
Diflubenzuron,ClC1=CC=C(C=C1)NC(NC(C(C(F)=CC=C2)=C2F)=O)=O,C14H9ClF2N2O2,11.26,311.0393416,161.73,[M+H],1,"InChI=1S/C14H9ClF2N2O2/c15-8-4-6-9(7-5-8)18-14(21)19-13(20)12-10(16)2-1-3-11(12)17/h1-7H,(H2,18,19,20,21)",QQQYTWIFVNKMRW-UHFFFAOYSA-N,Diflubenzuron,37123
Diflubenzuron,ClC1=CC=C(C=C1)NC(NC(C(C(F)=CC=C2)=C2F)=O)=O,C14H9ClF2N2O2,11.26,333.0212816,176.28,[M+Na],1,"InChI=1S/C14H9ClF2N2O2/c15-8-4-6-9(7-5-8)18-14(21)19-13(20)12-10(16)2-1-3-11(12)17/h1-7H,(H2,18,19,20,21)",QQQYTWIFVNKMRW-UHFFFAOYSA-N,Diflubenzuron,37123
Diflufenican,FC1=CC(F)=C(NC(C2=C(OC3=CC(C(F)(F)F)=CC=C3)N=CC=C2)=O)C=C1,C19H11F5N2O2,12.66,393.0667884,182.46,[M-H],-1,"InChI=1S/C19H11F5N2O2/c20-12-6-7-16(15(21)10-12)26-17(27)14-5-2-8-25-18(14)28-13-4-1-3-11(9-13)19(22,23)24/h1-10H,(H,26,27)",WYEHFWKAOXOVJD-UHFFFAOYSA-N,Diflufenican,91735
Diflufenican,FC1=CC(F)=C(NC(C2=C(OC3=CC(C(F)(F)F)=CC=C3)N=CC=C2)=O)C=C1,C19H11F5N2O2,12.69,395.0813484,187.79,[M+H],1,"InChI=1S/C19H11F5N2O2/c20-12-6-7-16(15(21)10-12)26-17(27)14-5-2-8-25-18(14)28-13-4-1-3-11(9-13)19(22,23)24/h1-10H,(H,26,27)",WYEHFWKAOXOVJD-UHFFFAOYSA-N,Diflufenican,91735
Dimetachlor,ClCC(N(CCOC)C1=C(C)C=CC=C1C)=O,C13H18ClNO2,9.17,256.1098865,151.68,[M+H],1,"InChI=1S/C13H18ClNO2/c1-10-5-4-6-11(2)13(10)15(7-8-17-3)12(16)9-14/h4-6H,7-9H2,1-3H3",SCCDDNKJYDZXMM-UHFFFAOYSA-N,Dimetachlor,39722
Dimetachlor,ClCC(N(CCOC)C1=C(C)C=CC=C1C)=O,C13H18ClNO2,9.17,278.0918265,165.1,[M+Na],1,"InChI=1S/C13H18ClNO2/c1-10-5-4-6-11(2)13(10)15(7-8-17-3)12(16)9-14/h4-6H,7-9H2,1-3H3",SCCDDNKJYDZXMM-UHFFFAOYSA-N,Dimetachlor,39722
Dimethoate,S=P(OC)(OC)SCC(NC)=O,C5H12NO3PS2,4.42,230.0069026,140.58,[M+H],1,"InChI=1S/C5H12NO3PS2/c1-6-5(7)4-12-10(11,8-2)9-3/h4H2,1-3H3,(H,6,7)",MCWXGJITAZMZEV-UHFFFAOYSA-N,Dimethoate,3082
Dimethoate,S=P(OC)(OC)SCC(NC)=O,C5H12NO3PS2,4.42,251.9888426,146.75,[M+Na],1,"InChI=1S/C5H12NO3PS2/c1-6-5(7)4-12-10(11,8-2)9-3/h4H2,1-3H3,(H,6,7)",MCWXGJITAZMZEV-UHFFFAOYSA-N,Dimethoate,3082
Dimethomorph isomer 1,COC1=C(OC)C=CC(/C(C2=CC=C(Cl)C=C2)=C/C(N3CCOCC3)=O)=C1,C21H22NO4Cl,9.97,388.1310159,200.39,[M+H],1,"InChI=1S/C21H22ClNO4/c1-25-19-8-5-16(13-20(19)26-2)18(15-3-6-17(22)7-4-15)14-21(24)23-9-11-27-12-10-23/h3-8,13-14H,9-12H2,1-2H3/b18-14+",QNBTYORWCCMPQP-NBVRZTHBSA-N,Dimethomorph isomer 1,5889665
Dimethomorph isomer 1,COC1=C(OC)C=CC(/C(C2=CC=C(Cl)C=C2)=C/C(N3CCOCC3)=O)=C1,C21H22NO4Cl,9.97,410.1129559,209.66,[M+Na],1,"InChI=1S/C21H22ClNO4/c1-25-19-8-5-16(13-20(19)26-2)18(15-3-6-17(22)7-4-15)14-21(24)23-9-11-27-12-10-23/h3-8,13-14H,9-12H2,1-2H3/b18-14+",QNBTYORWCCMPQP-NBVRZTHBSA-N,Dimethomorph isomer 1,5889665
Dimethomorph isomer 2,ClC1=CC=C(C=C1)/C(C(C=C2)=CC(OC)=C2OC)=C/C(N3CCOCC3)=O,C21H22NO4Cl,10.35,388.1310159,201.14,[M+H],1,"InChI=1S/C21H22ClNO4/c1-25-19-8-5-16(13-20(19)26-2)18(15-3-6-17(22)7-4-15)14-21(24)23-9-11-27-12-10-23/h3-8,13-14H,9-12H2,1-2H3/b18-14-",QNBTYORWCCMPQP-JXAWBTAJSA-N,Dimethomorph isomer 2,5463781
Dimethomorph isomer 2,ClC1=CC=C(C=C1)/C(C(C=C2)=CC(OC)=C2OC)=C/C(N3CCOCC3)=O,C21H22NO4Cl,10.35,410.1129559,206.76,[M+Na],1,"InChI=1S/C21H22ClNO4/c1-25-19-8-5-16(13-20(19)26-2)18(15-3-6-17(22)7-4-15)14-21(24)23-9-11-27-12-10-23/h3-8,13-14H,9-12H2,1-2H3/b18-14-",QNBTYORWCCMPQP-JXAWBTAJSA-N,Dimethomorph isomer 2,5463781
Dimetridazole,[O-][N+](C1=CN=C(C)N1C)=O,C5H7N3O2,2.09,142.0611065,124.77,[M+H],1,"InChI=1S/C5H7N3O2/c1-4-6-3-5(7(4)2)8(9)10/h3H,1-2H3",IBXPYPUJPLLOIN-UHFFFAOYSA-N,Dimetridazole,3090
Dioxathion,S=P(OCC)(OCC)SC1OCCOC1SP(OCC)(OCC)=S,C12H26O6P2S4,13.27,490.9781472,197.29,[M+Cl],-1,"InChI=1S/C12H26O6P2S4/c1-5-15-19(21,16-6-2)23-11-12(14-10-9-13-11)24-20(22,17-7-3)18-8-4/h11-12H,5-10H2,1-4H3",VBKKVDGJXVOLNE-UHFFFAOYSA-N,Dioxathion,6531
Dioxathion,S=P(OCC)(OCC)SC1OCCOC1SP(OCC)(OCC)=S,C12H26O6P2S4,13.27,501.0069472,199.36,[M+HCOO],-1,"InChI=1S/C12H26O6P2S4/c1-5-15-19(21,16-6-2)23-11-12(14-10-9-13-11)24-20(22,17-7-3)18-8-4/h11-12H,5-10H2,1-4H3",VBKKVDGJXVOLNE-UHFFFAOYSA-N,Dioxathion,6531
Dioxathion,S=P(OCC)(OCC)SC1OCCOC1SP(OCC)(OCC)=S,C12H26O6P2S4,13.18,478.9979672,195.86,[M+Na],1,"InChI=1S/C12H26O6P2S4/c1-5-15-19(21,16-6-2)23-11-12(14-10-9-13-11)24-20(22,17-7-3)18-8-4/h11-12H,5-10H2,1-4H3",VBKKVDGJXVOLNE-UHFFFAOYSA-N,Dioxathion,6531
Diuron,O=C(NC1=CC(Cl)=C(Cl)C=C1)N(C)C,C9H10N2OCl2,8.75,231.0097384,147.92,[M-H],-1,"InChI=1S/C9H10Cl2N2O/c1-13(2)9(14)12-6-3-4-7(10)8(11)5-6/h3-5H,1-2H3,(H,12,14)",XMTQQYYKAHVGBJ-UHFFFAOYSA-N,Diuron,3120
Diuron,O=C(NC1=CC(Cl)=C(Cl)C=C1)N(C)C,C9H10N2OCl2,8.76,233.0242984,148.38,[M+H],1,"InChI=1S/C9H10Cl2N2O/c1-13(2)9(14)12-6-3-4-7(10)8(11)5-6/h3-5H,1-2H3,(H,12,14)",XMTQQYYKAHVGBJ-UHFFFAOYSA-N,Diuron,3120
Diuron,O=C(NC1=CC(Cl)=C(Cl)C=C1)N(C)C,C9H10N2OCl2,8.76,255.0062384,158.2,[M+Na],1,"InChI=1S/C9H10Cl2N2O/c1-13(2)9(14)12-6-3-4-7(10)8(11)5-6/h3-5H,1-2H3,(H,12,14)",XMTQQYYKAHVGBJ-UHFFFAOYSA-N,Diuron,3120
Doramectin,O[C@]1([C@@](C(O[C@@H]2C[C@]3(O[C@@](C/C=C4\C)([H])C2)O[C@@H]([C@@H](C)C=C3)C5CCCCC5)=O)([H])C=C(C)[C@H]6O)[C@]6([H])OC/C1=C\C=C\[C@H](C)[C@@H]4O[C@@H]7O[C@@H](C)[C@@H]([C@H](C7)OC)O[C@@H](C[C@@H]8OC)O[C@@H](C)[C@@H]8O,C50H74O14,15.18,921.4970771,308.14,[M+Na],1,"InChI=1S/C50H74O14/c1-27-13-12-16-34-26-57-47-42(51)30(4)21-37(50(34,47)54)48(53)60-36-22-35(63-49(25-36)20-19-29(3)45(64-49)33-14-10-9-11-15-33)18-17-28(2)44(27)61-41-24-39(56-8)46(32(6)59-41)62-40-23-38(55-7)43(52)31(5)58-40/h12-13,16-17,19-21,27,29,31-33,35-47,51-52,54H,9-11,14-15,18,22-26H2,1-8H3/b13-12+,28-17+,34-16+/t27-,29-,31-,32-,35+,36-,37-,38-,39-,40-,41-,42+,43-,44-,45-,46-,47+,49+,50+/m0/s1",QLFZZSKTJWDQOS-YDBLARSUSA-N,Doramectin,9832750
Doxycycline,C[C@H]1c2cccc(c2C(=O)C3=C([C@]4([C@@H]([C@H]([C@H]13)O)[C@@H](C(=C(C4=O)C(=O)N)O)N(C)C)O)O)O,C22H24N2O8,5.84,443.1459857,199.24,[M-H],-1,"InChI=1S/C22H24N2O8/c1-7-8-5-4-6-9(25)11(8)16(26)12-10(7)17(27)14-15(24(2)3)18(28)13(21(23)31)20(30)22(14,32)19(12)29/h4-7,10,14-15,17,25,27-29,32H,1-3H3,(H2,23,31)/t7-,10+,14+,15-,17-,22-/m0/s1",JBIWCJUYHHGXTC-AKNGSSGZSA-N,Doxycycline,54671203
EDDP,CN1/C(C(C2=CC=CC=C2)(CC1C)C3=CC=CC=C3)=C/C,C20H23N,6.53,278.1903297,166.34,[M+H],1,"InChI=1S/C20H23N/c1-4-19-20(15-16(2)21(19)3,17-11-7-5-8-12-17)18-13-9-6-10-14-18/h4-14,16H,15H2,1-3H3/b19-4+",AJRJPORIQGYFMT-RMOCHZDMSA-N,EDDP,5352621
Emamectin B1a,O[C@]1([C@@](C(O[C@]2([H])C[C@@]3(O[C@@]([C@@H](C)CC)([H])[C@@H](C)C=C3)O[C@@](C/C=C4\C)([H])C2)=O)([H])C=C(C)[C@H]5O)[C@]5([H])OC/C1=C\C=C\[C@H](C)[C@@H]4O[C@@H]6O[C@@H](C)[C@@H]([C@H](C6)OC)O[C@@H](C7)O[C@@H](C)[C@H]([C@H]7OC)N([H])C,C49H75NO13,12.47,886.5311215,300.62,[M+H],1,"InChI=1S/C49H75NO13/c1-12-26(2)44-29(5)18-19-48(63-44)24-35-21-34(62-48)17-16-28(4)43(27(3)14-13-15-33-25-56-46-42(51)30(6)20-36(47(52)59-35)49(33,46)53)60-40-23-38(55-11)45(32(8)58-40)61-39-22-37(54-10)41(50-9)31(7)57-39/h13-16,18-20,26-27,29,31-32,34-46,50-51,53H,12,17,21-25H2,1-11H3/b14-13+,28-16+,33-15+/t26-,27-,29-,31-,32-,34+,35-,36-,37-,38-,39-,40-,41+,42+,43-,44+,45-,46+,48+,49+/m0/s1",CXEGAUYXQAKHKJ-COFQVFHOSA-N,Emamectin B1a,11136686
Enalapril,O=C([C@H](C)N[C@@H](CCC1=CC=CC=C1)C(OCC)=O)N2[C@H](C(O)=O)CCC2,C20H28N2O5,6.8,375.192542,197.07,[M-H],-1,"InChI=1S/C20H28N2O5/c1-3-27-20(26)16(12-11-15-8-5-4-6-9-15)21-14(2)18(23)22-13-7-10-17(22)19(24)25/h4-6,8-9,14,16-17,21H,3,7,10-13H2,1-2H3,(H,24,25)/t14-,16-,17-/m0/s1",GBXSMTUPTTWBMN-XIRDDKMYSA-N,Enalapril,5388962
Enalapril,O=C([C@H](C)N[C@@H](CCC1=CC=CC=C1)C(OCC)=O)N2[C@H](C(O)=O)CCC2,C20H28N2O5,6.72,377.207102,187.96,[M+H],1,"InChI=1S/C20H28N2O5/c1-3-27-20(26)16(12-11-15-8-5-4-6-9-15)21-14(2)18(23)22-13-7-10-17(22)19(24)25/h4-6,8-9,14,16-17,21H,3,7,10-13H2,1-2H3,(H,24,25)/t14-,16-,17-/m0/s1",GBXSMTUPTTWBMN-XIRDDKMYSA-N,Enalapril,5388962
Enalapril,O=C([C@H](C)N[C@@H](CCC1=CC=CC=C1)C(OCC)=O)N2[C@H](C(O)=O)CCC2,C20H28N2O5,6.72,399.189042,189.66,[M+Na],1,"InChI=1S/C20H28N2O5/c1-3-27-20(26)16(12-11-15-8-5-4-6-9-15)21-14(2)18(23)22-13-7-10-17(22)19(24)25/h4-6,8-9,14,16-17,21H,3,7,10-13H2,1-2H3,(H,24,25)/t14-,16-,17-/m0/s1",GBXSMTUPTTWBMN-XIRDDKMYSA-N,Enalapril,5388962
Enalaprilat,C[C@H](N[C@@H](CCC1=CC=CC=C1)C(O)=O)C(N2CCC[C@]2(C(O)=O)[H])=O,C18H24N2O5,4.04,347.1612419,186.22,[M-H],-1,"InChI=1S/C18H24N2O5/c1-12(16(21)20-11-5-8-15(20)18(24)25)19-14(17(22)23)10-9-13-6-3-2-4-7-13/h2-4,6-7,12,14-15,19H,5,8-11H2,1H3,(H,22,23)(H,24,25)/t12-,14-,15-/m0/s1",LZFZMUMEGBBDTC-QEJZJMRPSA-N,Enalaprilat,5462501
Enalaprilat,C[C@H](N[C@@H](CCC1=CC=CC=C1)C(O)=O)C(N2CCC[C@]2(C(O)=O)[H])=O,C18H24N2O5,4.2,349.1758019,178.55,[M+H],1,"InChI=1S/C18H24N2O5/c1-12(16(21)20-11-5-8-15(20)18(24)25)19-14(17(22)23)10-9-13-6-3-2-4-7-13/h2-4,6-7,12,14-15,19H,5,8-11H2,1H3,(H,22,23)(H,24,25)/t12-,14-,15-/m0/s1",LZFZMUMEGBBDTC-QEJZJMRPSA-N,Enalaprilat,5462501
Endosulfan sulfate,C1O[S@@](=O)(=O)OC[C@H]2[C@@H]1[C@]3(C([C@@]2(C(=C3Cl)Cl)Cl)(Cl)Cl)Cl,C9H6Cl6O4S,11.99,418.804516,172.11,[M-H],-1,"InChI=1S/C9H6Cl6O4S/c10-5-6(11)8(13)4-2-19-20(16,17)18-1-3(4)7(5,12)9(8,14)15/h3-4H,1-2H2/t3-,4+,7+,8-",AAPVQEMYVNZIOO-ZBKCKJIOSA-N,Endosulfan sulfate,13766813
Endosulfan sulfate,C1O[S@@](=O)(=O)OC[C@H]2[C@@H]1[C@]3(C([C@@]2(C(=C3Cl)Cl)Cl)(Cl)Cl)Cl,C9H6Cl6O4S,11.99,454.781196,174.7,[M+Cl],-1,"InChI=1S/C9H6Cl6O4S/c10-5-6(11)8(13)4-2-19-20(16,17)18-1-3(4)7(5,12)9(8,14)15/h3-4H,1-2H2/t3-,4+,7+,8-",AAPVQEMYVNZIOO-ZBKCKJIOSA-N,Endosulfan sulfate,13766813
Enrofloxacin,FC(C(N1CCN(CC)CC1)=C2)=CC(C(C(C(O)=O)=C3)=O)=C2N3C4CC4,C19H22FN3O3,3.49,360.1717997,195.5,[M+H],1,"InChI=1S/C19H22FN3O3/c1-2-21-5-7-22(8-6-21)17-10-16-13(9-15(17)20)18(24)14(19(25)26)11-23(16)12-3-4-12/h9-12H,2-8H2,1H3,(H,25,26)",SPFYMRJSYKOXGV-UHFFFAOYSA-N,Enrofloxacin,71188
Enrofloxacin,FC(C(N1CCN(CC)CC1)=C2)=CC(C(C(C(O)=O)=C3)=O)=C2N3C4CC4,C19H22FN3O3,3.49,382.1537397,202.1,[M+Na],1,"InChI=1S/C19H22FN3O3/c1-2-21-5-7-22(8-6-21)17-10-16-13(9-15(17)20)18(24)14(19(25)26)11-23(16)12-3-4-12/h9-12H,2-8H2,1H3,(H,25,26)",SPFYMRJSYKOXGV-UHFFFAOYSA-N,Enrofloxacin,71188
Ephylone (N-ethyl-Pentilone),CCCC(NCC)C(C1=CC=C(OCO2)C2=C1)=O,C14H19NO3,4.48,250.1437735,160.18,[M+H],1,"InChI=1S/C14H19NO3/c1-3-5-11(15-4-2)14(16)10-6-7-12-13(8-10)18-9-17-12/h6-8,11,15H,3-5,9H2,1-2H3",VERDHJIMZYXGIW-UHFFFAOYSA-N,Ephylone (N-ethyl-Pentilone),57359308
Epitestosterone,[H][C@@]12[C@](CC3)(C)C(CC[C@@]1([H])[C@]4([H])CC[C@@H](O)[C@@]4(C)CC2)=CC3=O,C19H28O2,11.05,289.2162101,172.45,[M+H],1,"InChI=1S/C19H28O2/c1-18-9-7-13(20)11-12(18)3-4-14-15-5-6-17(21)19(15,2)10-8-16(14)18/h11,14-17,21H,3-10H2,1-2H3/t14-,15-,16-,17+,18-,19-/m0/s1",MUMGGOZAMZWBJJ-KZYORJDKSA-N,Epitestosterone,10204
Epitestosterone glucuronide,C[C@]1([C@@]2([H])CC[C@@]3(C)[C@](CC[C@H]3O[C@@]([C@](O)([C@@](O)([C@@]4(O)[H])[H])[H])(O[C@@]4(C(O)=O)[H])[H])([H])[C@]2([H])CCC1=C5)CCC5=O,C25H36O8,10.15,463.2337381,221.04,[M-H],-1,"InChI=1S/C25H36O8/c1-24-9-7-13(26)11-12(24)3-4-14-15-5-6-17(25(15,2)10-8-16(14)24)32-23-20(29)18(27)19(28)21(33-23)22(30)31/h11,14-21,23,27-29H,3-10H2,1-2H3,(H,30,31)/t14-,15-,16-,17+,18-,19-,20+,21-,23+,24-,25-/m0/s1",NIKZPECGCSUSBV-RWUBDERLSA-N,Epitestosterone glucuronide,99564860
Epitestosterone glucuronide,C[C@]1([C@@]2([H])CC[C@@]3(C)[C@](CC[C@H]3O[C@@]([C@](O)([C@@](O)([C@@]4(O)[H])[H])[H])(O[C@@]4(C(O)=O)[H])[H])([H])[C@]2([H])CCC1=C5)CCC5=O,C25H36O8,10.18,465.2482981,204.69,[M+H],1,"InChI=1S/C25H36O8/c1-24-9-7-13(26)11-12(24)3-4-14-15-5-6-17(25(15,2)10-8-16(14)24)32-23-20(29)18(27)19(28)21(33-23)22(30)31/h11,14-21,23,27-29H,3-10H2,1-2H3,(H,30,31)/t14-,15-,16-,17+,18-,19-,20+,21-,23+,24-,25-/m0/s1",NIKZPECGCSUSBV-RWUBDERLSA-N,Epitestosterone glucuronide,99564860
EPN,S=P(OCC)(C1=CC=CC=C1)OC(C=C2)=CC=C2[N+]([O-])=O,C14H14NO4PS,12.61,324.0453961,168.7,[M+H],1,"InChI=1S/C14H14NO4PS/c1-2-18-20(21,14-6-4-3-5-7-14)19-13-10-8-12(9-11-13)15(16)17/h3-11H,2H2,1H3",AIGRXSNSLVJMEA-UHFFFAOYSA-N,EPN,16421
Epoxiconazole,ClC1=CC=CC=C1[C@H]2O[C@]2(CN3N=CN=C3)C(C=C4)=CC=C4F,C17H13ClFN3O,11.01,330.0803979,174.17,[M+H],1,"InChI=1S/C17H13ClFN3O/c18-15-4-2-1-3-14(15)16-17(23-16,9-22-11-20-10-21-22)12-5-7-13(19)8-6-12/h1-8,10-11,16H,9H2/t16-,17-/m1/s1",ZMYFCFLJBGAQRS-IAGOWNOFSA-N,Epoxiconazole,107901
Eprinomectin B1a,CC[C@H](C)[C@@H]1[C@H](C=C[C@@]2(O1)C[C@@H]3C[C@H](O2)C/C=C(/[C@H]([C@H](/C=C/C=C/4\CO[C@H]5[C@@]4([C@@H](C=C([C@H]5O)C)C(=O)O3)O)C)O[C@H]6C[C@@H]([C@H]([C@@H](O6)C)O[C@H]7C[C@@H]([C@@H]([C@@H](O7)C)NC(=O)C)OC)OC)\C)C,C50H75NO14,14.49,912.5114761,304.03,[M-H],-1,"InChI=1S/C50H75NO14/c1-12-26(2)45-29(5)18-19-49(65-45)24-36-21-35(64-49)17-16-28(4)44(27(3)14-13-15-34-25-58-47-43(53)30(6)20-37(48(54)61-36)50(34,47)55)62-41-23-39(57-11)46(32(8)60-41)63-40-22-38(56-10)42(31(7)59-40)51-33(9)52/h13-16,18-20,26-27,29,31-32,35-47,53,55H,12,17,21-25H2,1-11H3,(H,51,52)/b14-13+,28-16+,34-15+/t26-,27-,29-,31-,32-,35+,36-,37-,38-,39-,40-,41-,42+,43+,44-,45+,46-,47+,49+,50+/m0/s1",ZKWQQXZUCOBISE-CRTGXIDZSA-N,Eprinomectin B1a,6444397
Estrone,C[C@]12CC[C@@]3([H])[C@@]([C@]1([H])CCC2=O)([H])CCC4=CC(O)=CC=C43,C18H22O2,9.91,269.1546999,173.04,[M-H],-1,"InChI=1S/C18H22O2/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h3,5,10,14-16,19H,2,4,6-9H2,1H3/t14-,15-,16+,18+/m1/s1",DNXHEGUUPJUMQT-CBZIJGRNSA-N,Estrone,5870
Estrone,C[C@]12CC[C@@]3([H])[C@@]([C@]1([H])CCC2=O)([H])CCC4=CC(O)=CC=C43,C18H22O2,9.92,271.1692599,165.01,[M+H],1,"InChI=1S/C18H22O2/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h3,5,10,14-16,19H,2,4,6-9H2,1H3/t14-,15-,16+,18+/m1/s1",DNXHEGUUPJUMQT-CBZIJGRNSA-N,Estrone,5870
Estrone-3-sulfate,C[C@]12CC[C@@H]3c4ccc(cc4CC[C@H]3[C@@H]1CCC2=O)OS(=O)(=O)O,C18H22O5S,8.39,349.111515,191.11,[M-H],-1,"InChI=1S/C18H22O5S/c1-18-9-8-14-13-5-3-12(23-24(20,21)22)10-11(13)2-4-15(14)16(18)6-7-17(18)19/h3,5,10,14-16H,2,4,6-9H2,1H3,(H,20,21,22)/t14-,15-,16+,18+/m1/s1",JKKFKPJIXZFSSB-CBZIJGRNSA-N,Estrone-3-sulfate,3001028
Ethinylestradiol-3-sulfate,C[C@]12CC[C@@H]3c4ccc(cc4CC[C@H]3[C@@H]1CC[C@]2(C#C)O)OS(=O)(=O)O,C20H24O5S,8.54,375.127165,201.1,[M-H],-1,"InChI=1S/C20H24O5S/c1-3-20(21)11-9-18-17-6-4-13-12-14(25-26(22,23)24)5-7-15(13)16(17)8-10-19(18,20)2/h1,5,7,12,16-18,21H,4,6,8-11H2,2H3,(H,22,23,24)/t16-,17-,18+,19+,20+/m1/s1",WLGIWVFFGMPRLM-SLHNCBLASA-N,Ethinylestradiol-3-sulfate,68575
Ethiofencarb,CCSCC1=C(OC(NC)=O)C=CC=C1,C11H15NO2S,8,248.0715699,151.94,[M+Na],1,"InChI=1S/C11H15NO2S/c1-3-15-8-9-6-4-5-7-10(9)14-11(13)12-2/h4-7H,3,8H2,1-2H3,(H,12,13)",HEZNVIYQEUHLNI-UHFFFAOYSA-N,Ethiofencarb,34766
Ethiofencarb sulfone,O=S(CC1=CC=CC=C1OC(N([H])C)=O)(CC)=O,C11H15NO4S,3.79,280.0613991,155.49,[M+Na],1,"InChI=1S/C11H15NO4S/c1-3-17(14,15)8-9-6-4-5-7-10(9)16-11(13)12-2/h4-7H,3,8H2,1-2H3,(H,12,13)",IOPTXXRNXCPJGO-UHFFFAOYSA-N,Ethiofencarb sulfone,119490
Ethiofencarb sulfoxide,O=S(CC)CC1=CC=CC=C1OC(N([H])C)=O,C11H15NO3S,3.99,242.0845445,146.54,[M+H],1,"InChI=1S/C11H15NO3S/c1-3-16(14)8-9-6-4-5-7-10(9)15-11(13)12-2/h4-7H,3,8H2,1-2H3,(H,12,13)",OMOLDRXZKFFGJI-UHFFFAOYSA-N,Ethiofencarb sulfoxide,3035207
Ethiofencarb sulfoxide,O=S(CC)CC1=CC=CC=C1OC(N([H])C)=O,C11H15NO3S,3.99,264.0664845,153.22,[M+Na],1,"InChI=1S/C11H15NO3S/c1-3-16(14)8-9-6-4-5-7-10(9)15-11(13)12-2/h4-7H,3,8H2,1-2H3,(H,12,13)",OMOLDRXZKFFGJI-UHFFFAOYSA-N,Ethiofencarb sulfoxide,3035207
Ethion,S=P(OCC)(OCC)SCSP(OCC)(OCC)=S,C9H22O4P2S4,13.51,384.9948979,176.17,[M+H],1,"InChI=1S/C9H22O4P2S4/c1-5-10-14(16,11-6-2)18-9-19-15(17,12-7-3)13-8-4/h5-9H2,1-4H3",RIZMRRKBZQXFOY-UHFFFAOYSA-N,Ethion,3286
Ethion,S=P(OCC)(OCC)SCSP(OCC)(OCC)=S,C9H22O4P2S4,13.51,406.9768379,180.43,[M+Na],1,"InChI=1S/C9H22O4P2S4/c1-5-10-14(16,11-6-2)18-9-19-15(17,12-7-3)13-8-4/h5-9H2,1-4H3",RIZMRRKBZQXFOY-UHFFFAOYSA-N,Ethion,3286
Ethofenprox,CCOC1=CC=C(C(C)(C)COCC2=CC(OC3=CC=CC=C3)=CC=C2)C=C1,C25H28O3,15.27,399.1930648,191.81,[M+Na],1,"InChI=1S/C25H28O3/c1-4-27-22-15-13-21(14-16-22)25(2,3)19-26-18-20-9-8-12-24(17-20)28-23-10-6-5-7-11-23/h5-17H,4,18-19H2,1-3H3",YREQHYQNNWYQCJ-UHFFFAOYSA-N,Ethofenprox,71245
Ethofumesate,O=S(OC1=CC=C2OC(C(C)(C)C2=C1)OCC)(C)=O,C13H18O5S,9.84,287.0947749,162.79,[M+H],1,"InChI=1S/C13H18O5S/c1-5-16-12-13(2,3)10-8-9(18-19(4,14)15)6-7-11(10)17-12/h6-8,12H,5H2,1-4H3",IRCMYGHHKLLGHV-UHFFFAOYSA-N,Ethofumesate,33360
Ethofumesate,O=S(OC1=CC=C2OC(C(C)(C)C2=C1)OCC)(C)=O,C13H18O5S,9.84,309.0767149,162.73,[M+Na],1,"InChI=1S/C13H18O5S/c1-5-16-12-13(2,3)10-8-9(18-19(4,14)15)6-7-11(10)17-12/h6-8,12H,5H2,1-4H3",IRCMYGHHKLLGHV-UHFFFAOYSA-N,Ethofumesate,33360
Ethoxyquin,CCOC1=CC2=C(NC(C)(C=C2C)C)C=C1,C14H19NO,8.64,218.1539442,154.45,[M+H],1,"InChI=1S/C14H19NO/c1-5-16-11-6-7-13-12(8-11)10(2)9-14(3,4)15-13/h6-9,15H,5H2,1-4H3",DECIPOUIJURFOJ-UHFFFAOYSA-N,Ethoxyquin,3293
Ethoxyquin dimer,CCOC1=CC=C(C2=C1)N(C(C)(C=C2C)C)C3=CC(OCC)=CC4=C3NC(C)(C=C4C)C,C28H36N2O2,16.02,433.2849584,215.52,[M+H],1,"InChI=1S/C28H36N2O2/c1-9-31-20-11-12-24-22(13-20)19(4)17-28(7,8)30(24)25-15-21(32-10-2)14-23-18(3)16-27(5,6)29-26(23)25/h11-17,29H,9-10H2,1-8H3",JPCXDKKEKXRNAF-UHFFFAOYSA-N,Ethoxyquin dimer,15151334
Ethylone  ,CC(NCC)C(C1=CC=C(OCO2)C2=C1)=O,C12H15NO3,2.45,222.1124733,150.94,[M+H],1,"InChI=1S/C12H15NO3/c1-3-13-8(2)12(14)9-4-5-10-11(6-9)16-7-15-10/h4-6,8,13H,3,7H2,1-2H3",MJEMIOXXNCZZFK-UHFFFAOYSA-N,Ethylone  ,57252245
Ethylone  ,CC(NCC)C(C1=CC=C(OCO2)C2=C1)=O,C12H15NO3,2.45,204.1019133,141.53,[M+H-H2O],1,"InChI=1S/C12H15NO3/c1-3-13-8(2)12(14)9-4-5-10-11(6-9)16-7-15-10/h4-6,8,13H,3,7H2,1-2H3",MJEMIOXXNCZZFK-UHFFFAOYSA-N,Ethylone  ,57252245
Ethylparaben,O=C(C(C=C1)=CC=C1O)OCC,C9H10O3,7.1,165.0557142,135.75,[M-H],-1,"InChI=1S/C9H10O3/c1-2-12-9(11)7-3-5-8(10)6-4-7/h3-6,10H,2H2,1H3",NUVBSKCKDOMJSU-UHFFFAOYSA-N,Ethylparaben,8434
Ethylparaben,O=C(C(C=C1)=CC=C1O)OCC,C9H10O3,7.11,167.0702742,132.72,[M+H],1,"InChI=1S/C9H10O3/c1-2-12-9(11)7-3-5-8(10)6-4-7/h3-6,10H,2H2,1H3",NUVBSKCKDOMJSU-UHFFFAOYSA-N,Ethylparaben,8434
Etiocholanolone glucuronide,C[C@]12CC[C@H](C[C@H]1CC[C@@H]3[C@@H]2CC[C@]4([C@H]3CCC4=O)C)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)C(=O)O)O)O)O,C25H38O8,10.67,465.2493882,208.4,[M-H],-1,"InChI=1S/C25H38O8/c1-24-9-7-13(32-23-20(29)18(27)19(28)21(33-23)22(30)31)11-12(24)3-4-14-15-5-6-17(26)25(15,2)10-8-16(14)24/h12-16,18-21,23,27-29H,3-11H2,1-2H3,(H,30,31)/t12-,13-,14+,15+,16+,18+,19+,20-,21+,23-,24+,25+/m1/s1",VFUIRAVTUVCQTF-SDHZCXLISA-N,Etiocholanolone glucuronide,443078
Famphur,S=P(OC)(OC)OC1=CC=C(C=C1)S(=O)(N(C)C)=O,C10H16NO5PS2,8.66,348.009972,182.13,[M+Na],1,"InChI=1S/C10H16NO5PS2/c1-11(2)19(12,13)10-7-5-9(6-8-10)16-17(18,14-3)15-4/h5-8H,1-4H3",JISACBWYRJHSMG-UHFFFAOYSA-N,Famphur,5859
Fenamiphos,O=P(OCC)(NC(C)C)OC(C=C1)=CC(C)=C1SC,C13H22NO3PS,11.34,304.1130817,170.96,[M+H],1,"InChI=1S/C13H22NO3PS/c1-6-16-18(15,14-10(2)3)17-12-7-8-13(19-5)11(4)9-12/h7-10H,6H2,1-5H3,(H,14,15)",ZCJPOPBZHLUFHF-UHFFFAOYSA-N,Fenamiphos,31070
Fenamiphos,O=P(OCC)(NC(C)C)OC(C=C1)=CC(C)=C1SC,C13H22NO3PS,11.34,326.0950217,177.85,[M+Na],1,"InChI=1S/C13H22NO3PS/c1-6-16-18(15,14-10(2)3)17-12-7-8-13(19-5)11(4)9-12/h7-10H,6H2,1-5H3,(H,14,15)",ZCJPOPBZHLUFHF-UHFFFAOYSA-N,Fenamiphos,31070
Fenarimol,ClC1=C(C=CC=C1)C(C(C=C2)=CC=C2Cl)(C3=CN=CN=C3)O,C17H12Cl2N2O,10.85,329.0253884,175.92,[M-H],-1,"InChI=1S/C17H12Cl2N2O/c18-14-7-5-12(6-8-14)17(22,13-9-20-11-21-10-13)15-3-1-2-4-16(15)19/h1-11,22H",NHOWDZOIZKMVAI-UHFFFAOYSA-N,Fenarimol,43226
Fenarimol,ClC1=C(C=CC=C1)C(C(C=C2)=CC=C2Cl)(C3=CN=CN=C3)O,C17H12Cl2N2O,10.88,331.0399484,175.11,[M+H],1,"InChI=1S/C17H12Cl2N2O/c18-14-7-5-12(6-8-14)17(22,13-9-20-11-21-10-13)15-3-1-2-4-16(15)19/h1-11,22H",NHOWDZOIZKMVAI-UHFFFAOYSA-N,Fenarimol,43226
Fenhexamid,O=C(NC1=C(Cl)C(Cl)=C(O)C=C1)C2(CCCCC2)C,C14H17Cl2NO2,10.82,300.0563542,173.21,[M-H],-1,"InChI=1S/C14H17Cl2NO2/c1-14(7-3-2-4-8-14)13(19)17-9-5-6-10(18)12(16)11(9)15/h5-6,18H,2-4,7-8H2,1H3,(H,17,19)",VDLGAVXLJYLFDH-UHFFFAOYSA-N,Fenhexamid,213031
Fenhexamid,O=C(NC1=C(Cl)C(Cl)=C(O)C=C1)C2(CCCCC2)C,C14H17Cl2NO2,10.84,302.0709142,165.45,[M+H],1,"InChI=1S/C14H17Cl2NO2/c1-14(7-3-2-4-8-14)13(19)17-9-5-6-10(18)12(16)11(9)15/h5-6,18H,2-4,7-8H2,1H3,(H,17,19)",VDLGAVXLJYLFDH-UHFFFAOYSA-N,Fenhexamid,213031
Fenhexamid,O=C(NC1=C(Cl)C(Cl)=C(O)C=C1)C2(CCCCC2)C,C14H17Cl2NO2,10.84,324.0528542,179.32,[M+Na],1,"InChI=1S/C14H17Cl2NO2/c1-14(7-3-2-4-8-14)13(19)17-9-5-6-10(18)12(16)11(9)15/h5-6,18H,2-4,7-8H2,1H3,(H,17,19)",VDLGAVXLJYLFDH-UHFFFAOYSA-N,Fenhexamid,213031
Fenitrothion ,S=P(OC)(OC)OC(C=C1)=CC(C)=C1[N+]([O-])=O,C9H12NO5PS,10.54,278.0246607,156.22,[M+H],1,"InChI=1S/C9H12NO5PS/c1-7-6-8(4-5-9(7)10(11)12)15-16(17,13-2)14-3/h4-6H,1-3H3",ZNOLGFHPUIJIMJ-UHFFFAOYSA-N,Fenitrothion ,31200
Fenofibric acid,ClC1=CC=C(C(C2=CC=C(OC(C)(C(O)=O)C)C=C2)=O)C=C1,C17H15ClO4,11.33,317.0586067,185.72,[M-H],-1,"InChI=1S/C17H15ClO4/c1-17(2,16(20)21)22-14-9-5-12(6-10-14)15(19)11-3-7-13(18)8-4-11/h3-10H,1-2H3,(H,20,21)",MQOBSOSZFYZQOK-UHFFFAOYSA-N,Fenofibric acid,64929
Fenofibric Acid,ClC1=CC=C(C(C2=CC=C(OC(C)(C(O)=O)C)C=C2)=O)C=C1,C17H15ClO4,11.4,319.0731667,177.78,[M+H],1,"InChI=1S/C17H15ClO4/c1-17(2,16(20)21)22-14-9-5-12(6-10-14)15(19)11-3-7-13(18)8-4-11/h3-10H,1-2H3,(H,20,21)",MQOBSOSZFYZQOK-UHFFFAOYSA-N,Fenofibric Acid,64929
Fenoterol,OC(CNC(C)CC(C=C1)=CC=C1O)C2=CC(O)=CC(O)=C2,C17H21NO4,1.85,302.1397782,168.94,[M-H],-1,"InChI=1S/C17H21NO4/c1-11(6-12-2-4-14(19)5-3-12)18-10-17(22)13-7-15(20)9-16(21)8-13/h2-5,7-9,11,17-22H,6,10H2,1H3",LSLYOANBFKQKPT-UHFFFAOYSA-N,Fenoterol,3343
Fenoterol,OC(CNC(C)CC(C=C1)=CC=C1O)C2=CC(O)=CC(O)=C2,C17H21NO4,1.95,304.1543382,171.06,[M+H],1,"InChI=1S/C17H21NO4/c1-11(6-12-2-4-14(19)5-3-12)18-10-17(22)13-7-15(20)9-16(21)8-13/h2-5,7-9,11,17-22H,6,10H2,1H3",LSLYOANBFKQKPT-UHFFFAOYSA-N,Fenoterol,3343
Fenoterol,OC(CNC(C)CC(C=C1)=CC=C1O)C2=CC(O)=CC(O)=C2,C17H21NO4,1.95,326.1362782,176.52,[M+Na],1,"InChI=1S/C17H21NO4/c1-11(6-12-2-4-14(19)5-3-12)18-10-17(22)13-7-15(20)9-16(21)8-13/h2-5,7-9,11,17-22H,6,10H2,1H3",LSLYOANBFKQKPT-UHFFFAOYSA-N,Fenoterol,3343
Fenoxaprop,ClC1=CC2=C(C=C1)N=C(OC3=CC=C(C=C3)OC(C(O)=O)C)O2,C16H12ClNO5,11.6,332.0331202,190.88,[M-H],-1,"InChI=1S/C16H12ClNO5/c1-9(15(19)20)21-11-3-5-12(6-4-11)22-16-18-13-7-2-10(17)8-14(13)23-16/h2-9H,1H3,(H,19,20)",MPPOHAUSNPTFAJ-UHFFFAOYSA-N,Fenoxaprop,86134
Fenoxaprop,ClC1=CC2=C(C=C1)N=C(OC3=CC=C(C=C3)OC(C(O)=O)C)O2,C16H12ClNO5,11.64,334.0476802,179.7,[M+H],1,"InChI=1S/C16H12ClNO5/c1-9(15(19)20)21-11-3-5-12(6-4-11)22-16-18-13-7-2-10(17)8-14(13)23-16/h2-9H,1H3,(H,19,20)",MPPOHAUSNPTFAJ-UHFFFAOYSA-N,Fenoxaprop,86134
Fenoxaprop,ClC1=CC2=C(C=C1)N=C(OC3=CC=C(C=C3)OC(C(O)=O)C)O2,C16H12ClNO5,11.64,356.0296202,177.98,[M+Na],1,"InChI=1S/C16H12ClNO5/c1-9(15(19)20)21-11-3-5-12(6-4-11)22-16-18-13-7-2-10(17)8-14(13)23-16/h2-9H,1H3,(H,19,20)",MPPOHAUSNPTFAJ-UHFFFAOYSA-N,Fenoxaprop,86134
Fenoxycarb,CCOC(NCCOC1=CC=C(OC2=CC=CC=C2)C=C1)=O,C17H19NO4,11.42,302.1386881,179.71,[M+H],1,"InChI=1S/C17H19NO4/c1-2-20-17(19)18-12-13-21-14-8-10-16(11-9-14)22-15-6-4-3-5-7-15/h3-11H,2,12-13H2,1H3,(H,18,19)",HJUFTIJOISQSKQ-UHFFFAOYSA-N,Fenoxycarb,51605
Fenoxycarb,CCOC(NCCOC1=CC=C(OC2=CC=CC=C2)C=C1)=O,C17H19NO4,11.42,324.1206281,186.09,[M+Na],1,"InChI=1S/C17H19NO4/c1-2-20-17(19)18-12-13-21-14-8-10-16(11-9-14)22-15-6-4-3-5-7-15/h3-11H,2,12-13H2,1H3,(H,18,19)",HJUFTIJOISQSKQ-UHFFFAOYSA-N,Fenoxycarb,51605
Fenpropimorph,CC(C)(C)C(C=C1)=CC=C1CC(C)CN2C[C@H](C)O[C@H](C)C2,C20H33NO,8.71,304.2634947,175.62,[M+H],1,"InChI=1S/C20H33NO/c1-15(12-21-13-16(2)22-17(3)14-21)11-18-7-9-19(10-8-18)20(4,5)6/h7-10,15-17H,11-14H2,1-6H3/t15?,16-,17+",RYAUSSKQMZRMAI-ALOPSCKCSA-N,Fenpropimorph,93365
Fenthion,S=P(OC)(OC)OC1=CC=C(C(C)=C1)SC,C10H15O3PS2,11.77,279.0273037,156.19,[M+H],1,"InChI=1S/C10H15O3PS2/c1-8-7-9(5-6-10(8)16-4)13-14(15,11-2)12-3/h5-7H,1-4H3",PNVJTZOFSHSLTO-UHFFFAOYSA-N,Fenthion,3346
Fipronil,ClC1=C(C(Cl)=CC(C(F)(F)F)=C1)N2N=C(C#N)C(S(C(F)(F)F)=O)=C2N,C12H4Cl2F6N4OS,11.43,434.9314263,177.61,[M-H],-1,"InChI=1S/C12H4Cl2F6N4OS/c13-5-1-4(11(15,16)17)2-6(14)8(5)24-10(22)9(7(3-21)23-24)26(25)12(18,19)20/h1-2H,22H2",ZOCSXAVNDGMNBV-UHFFFAOYSA-N,Fipronil,3352
Fipronil,ClC1=C(C(Cl)=CC(C(F)(F)F)=C1)N2N=C(C#N)C(S(C(F)(F)F)=O)=C2N,C12H4Cl2F6N4OS,11.46,436.9459863,181.45,[M+H],1,"InChI=1S/C12H4Cl2F6N4OS/c13-5-1-4(11(15,16)17)2-6(14)8(5)24-10(22)9(7(3-21)23-24)26(25)12(18,19)20/h1-2H,22H2",ZOCSXAVNDGMNBV-UHFFFAOYSA-N,Fipronil,3352
Fipronil,ClC1=C(C(Cl)=CC(C(F)(F)F)=C1)N2N=C(C#N)C(S(C(F)(F)F)=O)=C2N,C12H4Cl2F6N4OS,11.46,458.9279263,194.16,[M+Na],1,"InChI=1S/C12H4Cl2F6N4OS/c13-5-1-4(11(15,16)17)2-6(14)8(5)24-10(22)9(7(3-21)23-24)26(25)12(18,19)20/h1-2H,22H2",ZOCSXAVNDGMNBV-UHFFFAOYSA-N,Fipronil,3352
Florfenicol,CS(=O)(C1=CC=C([C@@](O)([C@@](CF)(NC(C(Cl)Cl)=O)[H])[H])C=C1)=O,C12H14Cl2FNO4S,3.86,355.9931827,174.1,[M-H],-1,"InChI=1S/C12H14Cl2FNO4S/c1-21(19,20)8-4-2-7(3-5-8)10(17)9(6-15)16-12(18)11(13)14/h2-5,9-11,17H,6H2,1H3,(H,16,18)/t9-,10-/m1/s1",AYIRNRDRBQJXIF-NXEZZACHSA-N,Florfenicol,114811
Florfenicol,CS(=O)(C1=CC=C([C@@](O)([C@@](CF)(NC(C(Cl)Cl)=O)[H])[H])C=C1)=O,C12H14Cl2FNO4S,3.88,379.9896827,170.95,[M+Na],1,"InChI=1S/C12H14Cl2FNO4S/c1-21(19,20)8-4-2-7(3-5-8)10(17)9(6-15)16-12(18)11(13)14/h2-5,9-11,17H,6H2,1H3,(H,16,18)/t9-,10-/m1/s1",AYIRNRDRBQJXIF-NXEZZACHSA-N,Florfenicol,114811
Florfenicol amine,FC[C@H]([C@@H](C(C=C1)=CC=C1S(=O)(C)=O)O)N([H])[H],C10H14FNO3S,0.74,248.0751227,164.18,[M+H],1,"InChI=1S/C10H14FNO3S/c1-16(14,15)8-4-2-7(3-5-8)10(13)9(12)6-11/h2-5,9-10,13H,6,12H2,1H3/t9-,10-/m1/s1",XLSYLQDVLAXIKK-NXEZZACHSA-N,Florfenicol amine,156406
Fluazifop-P-butyl,O=C(OCCCC)[C@@H](C)OC(C=C1)=CC=C1OC(N=C2)=CC=C2C(F)(F)F,C19H20F3NO4,13.16,384.1417226,196.88,[M+H],1,"InChI=1S/C19H20F3NO4/c1-3-4-11-25-18(24)13(2)26-15-6-8-16(9-7-15)27-17-10-5-14(12-23-17)19(20,21)22/h5-10,12-13H,3-4,11H2,1-2H3/t13-/m1/s1",VAIZTNZGPYBOGF-CYBMUJFWSA-N,Fluazifop-P-butyl,3033674
Fluazifop-P-butyl,O=C(OCCCC)[C@@H](C)OC(C=C1)=CC=C1OC(N=C2)=CC=C2C(F)(F)F,C19H20F3NO4,13.16,406.1236626,194.26,[M+Na],1,"InChI=1S/C19H20F3NO4/c1-3-4-11-25-18(24)13(2)26-15-6-8-16(9-7-15)27-17-10-5-14(12-23-17)19(20,21)22/h5-10,12-13H,3-4,11H2,1-2H3/t13-/m1/s1",VAIZTNZGPYBOGF-CYBMUJFWSA-N,Fluazifop-P-butyl,3033674
Fluazinam,ClC1=C(C(F)(F)F)C=C(C(NC2=NC=C(C(F)(F)F)C=C2Cl)=C1[N+]([O-])=O)[N+]([O-])=O,C13H4Cl2F6N4O4,13.41,462.944099,183.51,[M-H],-1,"InChI=1S/C13H4Cl2F6N4O4/c14-6-1-4(12(16,17)18)3-22-11(6)23-9-7(24(26)27)2-5(13(19,20)21)8(15)10(9)25(28)29/h1-3H,(H,22,23)",UZCGKGPEKUCDTF-UHFFFAOYSA-N,Fluazinam,91731
Fluazinam,ClC1=C(C(F)(F)F)C=C(C(NC2=NC=C(C(F)(F)F)C=C2Cl)=C1[N+]([O-])=O)[N+]([O-])=O,C13H4Cl2F6N4O4,13.43,464.958659,185.96,[M+H],1,"InChI=1S/C13H4Cl2F6N4O4/c14-6-1-4(12(16,17)18)3-22-11(6)23-9-7(24(26)27)2-5(13(19,20)21)8(15)10(9)25(28)29/h1-3H,(H,22,23)",UZCGKGPEKUCDTF-UHFFFAOYSA-N,Fluazinam,91731
Flubendazole,FC1=CC=C(C=C1)C(C2=CC=C3NC(NC(OC)=O)=NC3=C2)=O,C16H12FN3O3,8.73,312.0789894,177.36,[M-H],-1,"InChI=1S/C16H12FN3O3/c1-23-16(22)20-15-18-12-7-4-10(8-13(12)19-15)14(21)9-2-5-11(17)6-3-9/h2-8H,1H3,(H2,18,19,20,22)",CPEUVMUXAHMANV-UHFFFAOYSA-N,Flubendazole,35802
Flubendazole,FC1=CC=C(C=C1)C(C2=CC=C3NC(NC(OC)=O)=NC3=C2)=O,C16H12FN3O3,8.62,314.0935494,176.52,[M+H],1,"InChI=1S/C16H12FN3O3/c1-23-16(22)20-15-18-12-7-4-10(8-13(12)19-15)14(21)9-2-5-11(17)6-3-9/h2-8H,1H3,(H2,18,19,20,22)",CPEUVMUXAHMANV-UHFFFAOYSA-N,Flubendazole,35802
Fludioxonil,N#CC1=CNC=C1C2=C(OC(F)(F)O3)C3=CC=C2,C12H6F2N2O2,10.05,247.0324538,146.13,[M-H],-1,"InChI=1S/C12H6F2N2O2/c13-12(14)17-10-3-1-2-8(11(10)18-12)9-6-16-5-7(9)4-15/h1-3,5-6,16H",MUJOIMFVNIBMKC-UHFFFAOYSA-N,Fludioxonil,86398
Fludioxonil,N#CC1=CNC=C1C2=C(OC(F)(F)O3)C3=CC=C2,C12H6F2N2O2,10.06,271.0289538,158.88,[M+Na],1,"InChI=1S/C12H6F2N2O2/c13-12(14)17-10-3-1-2-8(11(10)18-12)9-6-16-5-7(9)4-15/h1-3,5-6,16H",MUJOIMFVNIBMKC-UHFFFAOYSA-N,Fludioxonil,86398
Flufenoxuron,ClC1=CC(C(F)(F)F)=CC=C1OC2=CC=C(C(F)=C2)NC(NC(C(C(F)=CC=C3)=C3F)=O)=O,C21H11ClF6N2O3,13.88,489.0435189,204.96,[M+H],1,"InChI=1S/C21H11ClF6N2O3/c22-12-8-10(21(26,27)28)4-7-17(12)33-11-5-6-16(15(25)9-11)29-20(32)30-19(31)18-13(23)2-1-3-14(18)24/h1-9H,(H2,29,30,31,32)",RYLHNOVXKPXDIP-UHFFFAOYSA-N,Flufenoxuron,91766
Flufenoxuron,ClC1=CC(C(F)(F)F)=CC=C1OC2=CC=C(C(F)=C2)NC(NC(C(C(F)=CC=C3)=C3F)=O)=O,C21H11ClF6N2O3,13.88,511.0254589,218.91,[M+Na],1,"InChI=1S/C21H11ClF6N2O3/c22-12-8-10(21(26,27)28)4-7-17(12)33-11-5-6-16(15(25)9-11)29-20(32)30-19(31)18-13(23)2-1-3-14(18)24/h1-9H,(H2,29,30,31,32)",RYLHNOVXKPXDIP-UHFFFAOYSA-N,Flufenoxuron,91766
Flumequine,FC1=CC2=C3C(CCC(C)N3C=C(C(O)=O)C2=O)=C1,C14H12FNO3,7.44,262.0874014,150.58,[M+H],1,"InChI=1S/C14H12FNO3/c1-7-2-3-8-4-9(15)5-10-12(8)16(7)6-11(13(10)17)14(18)19/h4-7H,2-3H2,1H3,(H,18,19)",DPSPPJIUMHPXMA-UHFFFAOYSA-N,Flumequine,3374
Flumequine,FC1=CC2=C3C(CCC(C)N3C=C(C(O)=O)C2=O)=C1,C14H12FNO3,7.44,284.0693414,164.97,[M+Na],1,"InChI=1S/C14H12FNO3/c1-7-2-3-8-4-9(15)5-10-12(8)16(7)6-11(13(10)17)14(18)19/h4-7H,2-3H2,1H3,(H,18,19)",DPSPPJIUMHPXMA-UHFFFAOYSA-N,Flumequine,3374
Flumetasone,F[C@]([C@](C=C1)(C)C2=CC1=O)([C@H]3O)[C@@H](C[C@@H]2F)[C@H](C[C@H]4C)[C@@](C3)(C)[C@]4(C(CO)=O)O,C22H28F2O5,8.8,409.1832003,195.21,[M-H],-1,"InChI=1S/C22H28F2O5/c1-11-6-13-14-8-16(23)15-7-12(26)4-5-19(15,2)21(14,24)17(27)9-20(13,3)22(11,29)18(28)10-25/h4-5,7,11,13-14,16-17,25,27,29H,6,8-10H2,1-3H3/t11-,13+,14+,16+,17+,19+,20+,21+,22+/m1/s1",WXURHACBFYSXBI-GQKYHHCASA-N,Flumetasone,16490
Flumetasone,F[C@]([C@](C=C1)(C)C2=CC1=O)([C@H]3O)[C@@H](C[C@@H]2F)[C@H](C[C@H]4C)[C@@](C3)(C)[C@]4(C(CO)=O)O,C22H28F2O5,8.85,411.1977603,191.31,[M+H],1,"InChI=1S/C22H28F2O5/c1-11-6-13-14-8-16(23)15-7-12(26)4-5-19(15,2)21(14,24)17(27)9-20(13,3)22(11,29)18(28)10-25/h4-5,7,11,13-14,16-17,25,27,29H,6,8-10H2,1-3H3/t11-,13+,14+,16+,17+,19+,20+,21+,22+/m1/s1",WXURHACBFYSXBI-GQKYHHCASA-N,Flumetasone,16490
Flumetasone,F[C@]([C@](C=C1)(C)C2=CC1=O)([C@H]3O)[C@@H](C[C@@H]2F)[C@H](C[C@H]4C)[C@@](C3)(C)[C@]4(C(CO)=O)O,C22H28F2O5,8.85,433.1797003,220.64,[M+Na],1,"InChI=1S/C22H28F2O5/c1-11-6-13-14-8-16(23)15-7-12(26)4-5-19(15,2)21(14,24)17(27)9-20(13,3)22(11,29)18(28)10-25/h4-5,7,11,13-14,16-17,25,27,29H,6,8-10H2,1-3H3/t11-,13+,14+,16+,17+,19+,20+,21+,22+/m1/s1",WXURHACBFYSXBI-GQKYHHCASA-N,Flumetasone,16490
Fluquinconazole,O=C1N(C(C=C2)=C(Cl)C=C2Cl)C(N3N=CN=C3)=NC(C=C4)=C1C=C4F,C16H8Cl2FN5O,10.76,376.0162735,180.99,[M+H],1,InChI=1S/C16H8Cl2FN5O/c17-9-1-4-14(12(18)5-9)24-15(25)11-6-10(19)2-3-13(11)22-16(24)23-8-20-7-21-23/h1-8H,IJJVMEJXYNJXOJ-UHFFFAOYSA-N,Fluquinconazole,86417
Fluroxypyr,ClC(C(OCC(O)=O)=NC(F)=C1Cl)=C1N,C7H5Cl2FN2O3,6.54,254.9734056,140.69,[M+H],1,"InChI=1S/C7H5Cl2FN2O3/c8-3-5(11)4(9)7(12-6(3)10)15-1-2(13)14/h1H2,(H2,11,12)(H,13,14)",MEFQWPUMEMWTJP-UHFFFAOYSA-N,Fluroxypyr,50465
Fluroxypyr,ClC(C(OCC(O)=O)=NC(F)=C1Cl)=C1N,C7H5Cl2FN2O3,6.54,276.9553456,152.41,[M+Na],1,"InChI=1S/C7H5Cl2FN2O3/c8-3-5(11)4(9)7(12-6(3)10)15-1-2(13)14/h1H2,(H2,11,12)(H,13,14)",MEFQWPUMEMWTJP-UHFFFAOYSA-N,Fluroxypyr,50465
Flutriafol,c1ccc(c(c1)C(Cn2cncn2)(c3ccc(cc3)F)O)F,C16H13F2N3O,8.69,300.0953884,170.23,[M-H],-1,"InChI=1S/C16H13F2N3O/c17-13-7-5-12(6-8-13)16(22,9-21-11-19-10-20-21)14-3-1-2-4-15(14)18/h1-8,10-11,22H,9H2",JWUCHKBSVLQQCO-UHFFFAOYSA-N,Flutriafol,91727
Flutriafol,c1ccc(c(c1)C(Cn2cncn2)(c3ccc(cc3)F)O)F,C16H13F2N3O,8.69,346.1008684,173.67,[M+HCOO],-1,"InChI=1S/C16H13F2N3O/c17-13-7-5-12(6-8-13)16(22,9-21-11-19-10-20-21)14-3-1-2-4-15(14)18/h1-8,10-11,22H,9H2",JWUCHKBSVLQQCO-UHFFFAOYSA-N,Flutriafol,91727
Flutriafol,FC1=CC=CC=C1C(C(C=C2)=CC=C2F)(CN3N=CN=C3)O,C16H13F2N3O,8.7,302.1099484,165.41,[M+H],1,"InChI=1S/C16H13F2N3O/c17-13-7-5-12(6-8-13)16(22,9-21-11-19-10-20-21)14-3-1-2-4-15(14)18/h1-8,10-11,22H,9H2",JWUCHKBSVLQQCO-UHFFFAOYSA-N,Flutriafol,91727
Fumonisin B1,CCCC[C@@H](C)[C@@H](OC(C[C@H](C(O)=O)CC(O)=O)=O)[C@@H](OC(C[C@H](C(O)=O)CC(O)=O)=O)C[C@@H](C)C[C@H](O)CCCC[C@@H](O)C[C@H](O)[C@@H](N)C,C34H59NO15,9.04,720.3811902,261.97,[M-H],-1,"InChI=1S/C34H59NO15/c1-5-6-9-20(3)32(50-31(44)17-23(34(47)48)15-29(41)42)27(49-30(43)16-22(33(45)46)14-28(39)40)13-19(2)12-24(36)10-7-8-11-25(37)18-26(38)21(4)35/h19-27,32,36-38H,5-18,35H2,1-4H3,(H,39,40)(H,41,42)(H,45,46)(H,47,48)/t19-,20+,21-,22+,23+,24+,25+,26-,27-,32+/m0/s1",UVBUBMSSQKOIBE-DSLOAKGESA-N,Fumonisin B1,2733487
Fumonisin B1,CCCC[C@@H](C)[C@@H](OC(C[C@H](C(O)=O)CC(O)=O)=O)[C@@H](OC(C[C@H](C(O)=O)CC(O)=O)=O)C[C@@H](C)C[C@H](O)CCCC[C@@H](O)C[C@H](O)[C@@H](N)C,C34H59NO15,9.19,722.3957502,258.03,[M+H],1,"InChI=1S/C34H59NO15/c1-5-6-9-20(3)32(50-31(44)17-23(34(47)48)15-29(41)42)27(49-30(43)16-22(33(45)46)14-28(39)40)13-19(2)12-24(36)10-7-8-11-25(37)18-26(38)21(4)35/h19-27,32,36-38H,5-18,35H2,1-4H3,(H,39,40)(H,41,42)(H,45,46)(H,47,48)/t19-,20+,21-,22+,23+,24+,25+,26-,27-,32+/m0/s1",UVBUBMSSQKOIBE-DSLOAKGESA-N,Fumonisin B1,2733487
Fumonisin B2,O=C(C[C@@H](CC(O)=O)C(O)=O)O[C@H]([C@H](C)CCCC)[C@H](C[C@@H](C)CCCCCC[C@H](C[C@@H]([C@H](C)N)O)O)OC(C[C@@H](CC(O)=O)C(O)=O)=O,C34H59NO14,10.54,704.3862756,261.01,[M-H],-1,"InChI=1S/C34H59NO14/c1-5-6-12-21(3)32(49-31(43)18-24(34(46)47)16-29(40)41)27(48-30(42)17-23(33(44)45)15-28(38)39)14-20(2)11-9-7-8-10-13-25(36)19-26(37)22(4)35/h20-27,32,36-37H,5-19,35H2,1-4H3,(H,38,39)(H,40,41)(H,44,45)(H,46,47)/t20-,21+,22-,23+,24+,25+,26-,27-,32+/m0/s1",UXDPXZQHTDAXOZ-STOIETHLSA-N,Fumonisin B2,2733489
Fumonisin B2,O=C(C[C@@H](CC(O)=O)C(O)=O)O[C@H]([C@H](C)CCCC)[C@H](C[C@@H](C)CCCCCC[C@H](C[C@@H]([C@H](C)N)O)O)OC(C[C@@H](CC(O)=O)C(O)=O)=O,C34H59NO14,10.66,706.4008356,259.85,[M+H],1,"InChI=1S/C34H59NO14/c1-5-6-12-21(3)32(49-31(43)18-24(34(46)47)16-29(40)41)27(48-30(42)17-23(33(44)45)15-28(38)39)14-20(2)11-9-7-8-10-13-25(36)19-26(37)22(4)35/h20-27,32,36-37H,5-19,35H2,1-4H3,(H,38,39)(H,40,41)(H,44,45)(H,46,47)/t20-,21+,22-,23+,24+,25+,26-,27-,32+/m0/s1",UXDPXZQHTDAXOZ-STOIETHLSA-N,Fumonisin B2,2733489
Fumonisin B3,O[C@H](CCCCCC[C@H]([C@H](C)N([H])[H])O)C[C@H](C)C[C@@H]([C@@H]([C@H](C)CCCC)OC(CC(C(O)=O)CC(O)=O)=O)OC(CC(C(O)=O)CC(O)=O)=O,C34H59NO14,9.9,704.3862756,259.99,[M-H],-1,"InChI=1S/C34H59NO14/c1-5-6-11-21(3)32(49-31(43)19-24(34(46)47)17-29(40)41)27(48-30(42)18-23(33(44)45)16-28(38)39)15-20(2)14-25(36)12-9-7-8-10-13-26(37)22(4)35/h20-27,32,36-37H,5-19,35H2,1-4H3,(H,38,39)(H,40,41)(H,44,45)(H,46,47)/t20-,21+,22-,23?,24?,25+,26+,27-,32+/m0/s1",CPCRJSQNWHCGOP-KUHXKYQKSA-N,Fumonisin B3,3034751
Fumonisin B3,O[C@H](CCCCCC[C@H]([C@H](C)N([H])[H])O)C[C@H](C)C[C@@H]([C@@H]([C@H](C)CCCC)OC(CC(C(O)=O)CC(O)=O)=O)OC(CC(C(O)=O)CC(O)=O)=O,C34H59NO14,10.05,706.4008356,257.19,[M+H],1,"InChI=1S/C34H59NO14/c1-5-6-11-21(3)32(49-31(43)19-24(34(46)47)17-29(40)41)27(48-30(42)18-23(33(44)45)16-28(38)39)15-20(2)14-25(36)12-9-7-8-10-13-26(37)22(4)35/h20-27,32,36-37H,5-19,35H2,1-4H3,(H,38,39)(H,40,41)(H,44,45)(H,46,47)/t20-,21+,22-,23?,24?,25+,26+,27-,32+/m0/s1",CPCRJSQNWHCGOP-KUHXKYQKSA-N,Fumonisin B3,3034751
Furaltadone,[O-][N+](C1=CC=C(/C([H])=N/N2C(OC(CN3CCOCC3)C2)=O)O1)=O,C13H16N4O6,1.46,325.1142643,173.06,[M+H],1,"InChI=1S/C13H16N4O6/c18-13-16(14-7-10-1-2-12(22-10)17(19)20)9-11(23-13)8-15-3-5-21-6-4-15/h1-2,7,11H,3-6,8-9H2/b14-7+",YVQVOQKFMFRVGR-VGOFMYFVSA-N,Furaltadone,9553856
Furaltadone,[O-][N+](C1=CC=C(/C([H])=N/N2C(OC(CN3CCOCC3)C2)=O)O1)=O,C13H16N4O6,1.46,347.0962043,176.85,[M+Na],1,"InChI=1S/C13H16N4O6/c18-13-16(14-7-10-1-2-12(22-10)17(19)20)9-11(23-13)8-15-3-5-21-6-4-15/h1-2,7,11H,3-6,8-9H2/b14-7+",YVQVOQKFMFRVGR-VGOFMYFVSA-N,Furaltadone,9553856
Furazolidone,O=C1OCCN1/N=C/C2=CC=C([N+]([O-])=O)O2,C8H7N3O5,2.77,226.0458503,146.88,[M+H],1,"InChI=1S/C8H7N3O5/c12-8-10(3-4-15-8)9-5-6-1-2-7(16-6)11(13)14/h1-2,5H,3-4H2/b9-5+",PLHJDBGFXBMTGZ-WEVVVXLNSA-N,Furazolidone,5323714
Furazolidone,O=C1OCCN1/N=C/C2=CC=C([N+]([O-])=O)O2,C8H7N3O5,2.77,248.0277903,146,[M+Na],1,"InChI=1S/C8H7N3O5/c12-8-10(3-4-15-8)9-5-6-1-2-7(16-6)11(13)14/h1-2,5H,3-4H2/b9-5+",PLHJDBGFXBMTGZ-WEVVVXLNSA-N,Furazolidone,5323714
Furosemide,NS(C1=C(Cl)C=C(NCC2=CC=CO2)C(C(O)=O)=C1)(=O)=O,C12H11ClN2O5S,6.76,352.9969403,190.28,[M+Na],1,"InChI=1S/C12H11ClN2O5S/c13-9-5-10(15-6-7-2-1-3-20-7)8(12(16)17)4-11(9)21(14,18)19/h1-5,15H,6H2,(H,16,17)(H2,14,18,19)",ZZUFCTLCJUWOSV-UHFFFAOYSA-N,Furosemide,3440
Fusarenon X,CC1=C[C@@H]2[C@]([C@@H](C1=O)O)([C@]3([C@@H]([C@H]([C@H]([C@@]34CO4)O2)O)OC(=O)C)C)CO,C17H22O8,3.68,399.1296677,181.03,[M+HCOO],-1,"InChI=1S/C17H22O8/c1-7-4-9-16(5-18,12(22)10(7)20)15(3)13(24-8(2)19)11(21)14(25-9)17(15)6-23-17/h4,9,11-14,18,21-22H,5-6H2,1-3H3/t9-,11-,12-,13-,14-,15-,16-,17+/m1/s1",XGCUCFKWVIWWNW-CAYGJDLQSA-N,Fusarenon X,304599
Fusarenon X,CC1=C[C@@H]2[C@]([C@@H](C1=O)O)([C@]3([C@@H]([C@H]([C@H]([C@@]34CO4)O2)O)OC(=O)C)C)CO,C17H22O8,3.64,377.1206877,184.99,[M+Na],1,"InChI=1S/C17H22O8/c1-7-4-9-16(5-18,12(22)10(7)20)15(3)13(24-8(2)19)11(21)14(25-9)17(15)6-23-17/h4,9,11-14,18,21-22H,5-6H2,1-3H3/t9-,11-,12-,13-,14-,15-,16-,17+/m1/s1",XGCUCFKWVIWWNW-CAYGJDLQSA-N,Fusarenon X,304599
Gabapentin,O=C(CC1(CN)CCCCC1)O,C9H17NO2,2.26,172.1332088,139.7,[M+H],1,"InChI=1S/C9H17NO2/c10-7-9(6-8(11)12)4-2-1-3-5-9/h1-7,10H2,(H,11,12)",UGJMXCAKCUNAIE-UHFFFAOYSA-N,Gabapentin,3446
Gemfibrozil,O=C(C(C)(C)CCCOC1=C(C)C=CC(C)=C1)O,C15H22O3,12.72,249.1496146,168.34,[M-H],-1,"InChI=1S/C15H22O3/c1-11-6-7-12(2)13(10-11)18-9-5-8-15(3,4)14(16)17/h6-7,10H,5,8-9H2,1-4H3,(H,16,17)",HEMJJKBWTPKOJG-UHFFFAOYSA-N,Gemfibrozil,3463
Gemfibrozil,O=C(C(C)(C)CCCOC1=C(C)C=CC(C)=C1)O,C15H22O3,12.78,251.1641746,152.1,[M+H],1,"InChI=1S/C15H22O3/c1-11-6-7-12(2)13(10-11)18-9-5-8-15(3,4)14(16)17/h6-7,10H,5,8-9H2,1-4H3,(H,16,17)",HEMJJKBWTPKOJG-UHFFFAOYSA-N,Gemfibrozil,3463
Gemfibrozil,O=C(C(C)(C)CCCOC1=C(C)C=CC(C)=C1)O,C15H22O3,12.78,273.1461146,167.81,[M+Na],1,"InChI=1S/C15H22O3/c1-11-6-7-12(2)13(10-11)18-9-5-8-15(3,4)14(16)17/h6-7,10H,5,8-9H2,1-4H3,(H,16,17)",HEMJJKBWTPKOJG-UHFFFAOYSA-N,Gemfibrozil,3463
Haloperidol,ClC1=CC=C(C=C1)C2(CCN(CCCC(C(C=C3)=CC=C3F)=O)CC2)O,C21H23ClFNO2,7,376.1474148,194.52,[M+H],1,"InChI=1S/C21H23ClFNO2/c22-18-7-5-17(6-8-18)21(26)11-14-24(15-12-21)13-1-2-20(25)16-3-9-19(23)10-4-16/h3-10,26H,1-2,11-15H2",LNEPOXFFQSENCJ-UHFFFAOYSA-N,Haloperidol,3559
Haloxyfop-2-ethoxyethyl,CC(C(OCCOCC)=O)OC1=CC=C(OC2=C(C=C(C(F)(F)F)C=N2)Cl)C=C1,C19H19ClF3NO5,13.1,434.0976649,188.7,[M+H],1,"InChI=1S/C19H19ClF3NO5/c1-3-26-8-9-27-18(25)12(2)28-14-4-6-15(7-5-14)29-17-16(20)10-13(11-24-17)19(21,22)23/h4-7,10-12H,3,8-9H2,1-2H3",MIJLZGZLQLAQCM-UHFFFAOYSA-N,Haloxyfop-2-ethoxyethyl,91743
Haloxyfop-2-ethoxyethyl,CC(C(OCCOCC)=O)OC1=CC=C(OC2=C(C=C(C(F)(F)F)C=N2)Cl)C=C1,C19H19ClF3NO5,13.1,456.0796049,192.34,[M+Na],1,"InChI=1S/C19H19ClF3NO5/c1-3-26-8-9-27-18(25)12(2)28-14-4-6-15(7-5-14)29-17-16(20)10-13(11-24-17)19(21,22)23/h4-7,10-12H,3,8-9H2,1-2H3",MIJLZGZLQLAQCM-UHFFFAOYSA-N,Haloxyfop-2-ethoxyethyl,91743
Haloxyfop-methyl,O=C(OC)[C@@H](C)OC(C=C1)=CC=C1OC(N=C2)=C(Cl)C=C2C(F)(F)F,C16H13ClF3NO4,12.59,376.0558001,185.18,[M+H],1,"InChI=1S/C16H13ClF3NO4/c1-9(15(22)23-2)24-11-3-5-12(6-4-11)25-14-13(17)7-10(8-21-14)16(18,19)20/h3-9H,1-2H3/t9-/m1/s1",MFSWTRQUCLNFOM-SECBINFHSA-N,Haloxyfop-methyl,13363033
Haloxyfop-methyl,O=C(OC)[C@@H](C)OC(C=C1)=CC=C1OC(N=C2)=C(Cl)C=C2C(F)(F)F,C16H13ClF3NO4,12.59,398.0377401,185.1,[M+Na],1,"InChI=1S/C16H13ClF3NO4/c1-9(15(22)23-2)24-11-3-5-12(6-4-11)25-14-13(17)7-10(8-21-14)16(18,19)20/h3-9H,1-2H3/t9-/m1/s1",MFSWTRQUCLNFOM-SECBINFHSA-N,Haloxyfop-methyl,13363033
HDEP-28 (ethylnaphthidate),O=C(OCC)C(C1CCCCN1)C2=CC(C=CC=C3)=C3C=C2,C19H23NO2,7.75,298.180159,176.92,[M+H],1,"InChI=1S/C19H23NO2/c1-2-22-19(21)18(17-9-5-6-12-20-17)16-11-10-14-7-3-4-8-15(14)13-16/h3-4,7-8,10-11,13,17-18,20H,2,5-6,9,12H2,1H3",OTQVTBPHZRARTL-UHFFFAOYSA-N,HDEP-28 (ethylnaphthidate),91844468
Heroin,O=C(C)O[C@@H]1[C@@H]([C@]2(C3=C(C=C4)C5)[C@](C=C1)([H])[C@@H]5N(C)CC2)OC3=C4OC(C)=O,C21H23NO5,4.15,370.1649028,185.94,[M+H],1,"InChI=1S/C21H23NO5/c1-11(23)25-16-6-4-13-10-15-14-5-7-17(26-12(2)24)20-21(14,8-9-22(15)3)18(13)19(16)27-20/h4-7,14-15,17,20H,8-10H2,1-3H3/t14-,15+,17-,20-,21-/m0/s1",GVGLGOZIDCSQPN-PVHGPHFFSA-N,Heroin,5462328
Heroin,O=C(C)O[C@@H]1[C@@H]([C@]2(C3=C(C=C4)C5)[C@](C=C1)([H])[C@@H]5N(C)CC2)OC3=C4OC(C)=O,C21H23NO5,4.15,392.1468428,179.95,[M+Na],1,"InChI=1S/C21H23NO5/c1-11(23)25-16-6-4-13-10-15-14-5-7-17(26-12(2)24)20-21(14,8-9-22(15)3)18(13)19(16)27-20/h4-7,14-15,17,20H,8-10H2,1-3H3/t14-,15+,17-,20-,21-/m0/s1",GVGLGOZIDCSQPN-PVHGPHFFSA-N,Heroin,5462328
Hexaflumuron,O=C(NC1=CC(Cl)=C(OC(F)(F)C(F)F)C(Cl)=C1)NC(C2=C(F)C=CC=C2F)=O,C16H8Cl2F6N2O3,12.71,460.9888965,187.85,[M+H],1,"InChI=1S/C16H8Cl2F6N2O3/c17-7-4-6(5-8(18)12(7)29-16(23,24)14(21)22)25-15(28)26-13(27)11-9(19)2-1-3-10(11)20/h1-5,14H,(H2,25,26,27,28)",RGNPBRKPHBKNKX-UHFFFAOYSA-N,Hexaflumuron,91741
Hexaflumuron,O=C(NC1=CC(Cl)=C(OC(F)(F)C(F)F)C(Cl)=C1)NC(C2=C(F)C=CC=C2F)=O,C16H8Cl2F6N2O3,12.71,482.9708365,202.62,[M+Na],1,"InChI=1S/C16H8Cl2F6N2O3/c17-7-4-6(5-8(18)12(7)29-16(23,24)14(21)22)25-15(28)26-13(27)11-9(19)2-1-3-10(11)20/h1-5,14H,(H2,25,26,27,28)",RGNPBRKPHBKNKX-UHFFFAOYSA-N,Hexaflumuron,91741
Hexythiazox,ClC1=CC=C(C=C1)C2SC(N(C(N([H])C3CCCCC3)=O)C2C)=O,C17H21ClN2O2S,13.82,387.0706268,195.8,[M+Cl],-1,"InChI=1S/C17H21ClN2O2S/c1-11-15(12-7-9-13(18)10-8-12)23-17(22)20(11)16(21)19-14-5-3-2-4-6-14/h7-11,14-15H,2-6H2,1H3,(H,19,21)",XGWIJUOSCAQSSV-UHFFFAOYSA-N,Hexythiazox,4560140
Hexythiazox,ClC1=CC=C(C=C1)C2SC(N(C(N([H])C3CCCCC3)=O)C2C)=O,C17H21ClN2O2S,13.62,353.1085068,184.88,[M+H],1,"InChI=1S/C17H21ClN2O2S/c1-11-15(12-7-9-13(18)10-8-12)23-17(22)20(11)16(21)19-14-5-3-2-4-6-14/h7-11,14-15H,2-6H2,1H3,(H,19,21)",XGWIJUOSCAQSSV-UHFFFAOYSA-N,Hexythiazox,4560140
Hexythiazox,ClC1=CC=C(C=C1)C2SC(N(C(N([H])C3CCCCC3)=O)C2C)=O,C17H21ClN2O2S,13.62,375.0904468,199.73,[M+Na],1,"InChI=1S/C17H21ClN2O2S/c1-11-15(12-7-9-13(18)10-8-12)23-17(22)20(11)16(21)19-14-5-3-2-4-6-14/h7-11,14-15H,2-6H2,1H3,(H,19,21)",XGWIJUOSCAQSSV-UHFFFAOYSA-N,Hexythiazox,4560140
HT-2 Toxin,CC1=C[C@@H]2[C@](C[C@@H]1OC(=O)CC(C)C)([C@]3([C@@H]([C@H]([C@H]([C@@]34CO4)O2)O)O)C)COC(=O)C,C22H32O8,8.9,459.179118,209.65,[M+Cl],-1,"InChI=1S/C22H32O8/c1-11(2)6-16(24)29-14-8-21(9-27-13(4)23)15(7-12(14)3)30-19-17(25)18(26)20(21,5)22(19)10-28-22/h7,11,14-15,17-19,25-26H,6,8-10H2,1-5H3/t14-,15+,17+,18+,19+,20+,21+,22-/m0/s1",PNKLMTPXERFKEN-MLXHEQMXSA-N,HT-2 Toxin,10093830
HT-2 Toxin,CC1=C[C@@H]2[C@](C[C@@H]1OC(=O)CC(C)C)([C@]3([C@@H]([C@H]([C@H]([C@@]34CO4)O2)O)O)C)COC(=O)C,C22H32O8,8.9,469.207918,212.2,[M+HCOO],-1,"InChI=1S/C22H32O8/c1-11(2)6-16(24)29-14-8-21(9-27-13(4)23)15(7-12(14)3)30-19-17(25)18(26)20(21,5)22(19)10-28-22/h7,11,14-15,17-19,25-26H,6,8-10H2,1-5H3/t14-,15+,17+,18+,19+,20+,21+,22-/m0/s1",PNKLMTPXERFKEN-MLXHEQMXSA-N,HT-2 Toxin,10093830
HT-2 Toxin,CC1=C[C@@H]2[C@](C[C@@H]1OC(=O)CC(C)C)([C@]3([C@@H]([C@H]([C@H]([C@@]34CO4)O2)O)O)C)COC(=O)C,C22H32O8,8.89,447.198938,205.61,[M+Na],1,"InChI=1S/C22H32O8/c1-11(2)6-16(24)29-14-8-21(9-27-13(4)23)15(7-12(14)3)30-19-17(25)18(26)20(21,5)22(19)10-28-22/h7,11,14-15,17-19,25-26H,6,8-10H2,1-5H3/t14-,15+,17+,18+,19+,20+,21+,22-/m0/s1",PNKLMTPXERFKEN-MLXHEQMXSA-N,HT-2 Toxin,10093830
Hydrocodone,O=C1[C@@H]2OC3=C(C4=CC=C3OC)[C@]25[C@@H](CC1)[C@@H](C4)N(C)CC5,C18H21NO3,2.16,300.1594235,168.06,[M+H],1,"InChI=1S/C18H21NO3/c1-19-8-7-18-11-4-5-13(20)17(18)22-16-14(21-2)6-3-10(15(16)18)9-12(11)19/h3,6,11-12,17H,4-5,7-9H2,1-2H3/t11-,12+,17-,18-/m0/s1",LLPOLZWFYMWNKH-CMKMFDCUSA-N,Hydrocodone,5284569
Hydrocodone,O=C1[C@@H]2OC3=C(C4=CC=C3OC)[C@]25[C@@H](CC1)[C@@H](C4)N(C)CC5,C18H21NO3,2.16,322.1413635,172.49,[M+Na],1,"InChI=1S/C18H21NO3/c1-19-8-7-18-11-4-5-13(20)17(18)22-16-14(21-2)6-3-10(15(16)18)9-12(11)19/h3,6,11-12,17H,4-5,7-9H2,1-2H3/t11-,12+,17-,18-/m0/s1",LLPOLZWFYMWNKH-CMKMFDCUSA-N,Hydrocodone,5284569
Hydrocortisone (cortisol),O=C(CO)[C@](CC1)(O)[C@]2(C)[C@@H]1[C@@H]3CCC([C@@](CC4)(C)[C@H]3[C@@H](O)C2)=CC4=O,C21H30O5,8.18,361.2020441,191.98,[M-H],-1,"InChI=1S/C21H30O5/c1-19-7-5-13(23)9-12(19)3-4-14-15-6-8-21(26,17(25)11-22)20(15,2)10-16(24)18(14)19/h9,14-16,18,22,24,26H,3-8,10-11H2,1-2H3/t14-,15-,16-,18+,19-,20-,21-/m0/s1",JYGXADMDTFJGBT-VWUMJDOOSA-N,Hydrocortisone (cortisol),5754
Hydrocortisone (cortisol),O=C(CO)[C@](CC1)(O)[C@]2(C)[C@@H]1[C@@H]3CCC([C@@](CC4)(C)[C@H]3[C@@H](O)C2)=CC4=O,C21H30O5,8.18,397.1787241,188.95,[M+Cl],-1,"InChI=1S/C21H30O5/c1-19-7-5-13(23)9-12(19)3-4-14-15-6-8-21(26,17(25)11-22)20(15,2)10-16(24)18(14)19/h9,14-16,18,22,24,26H,3-8,10-11H2,1-2H3/t14-,15-,16-,18+,19-,20-,21-/m0/s1",JYGXADMDTFJGBT-VWUMJDOOSA-N,Hydrocortisone (cortisol),5754
Hydrocortisone (cortisol),O=C(CO)[C@](CC1)(O)[C@]2(C)[C@@H]1[C@@H]3CCC([C@@](CC4)(C)[C@H]3[C@@H](O)C2)=CC4=O,C21H30O5,8.18,407.2075241,191.54,[M+HCOO],-1,"InChI=1S/C21H30O5/c1-19-7-5-13(23)9-12(19)3-4-14-15-6-8-21(26,17(25)11-22)20(15,2)10-16(24)18(14)19/h9,14-16,18,22,24,26H,3-8,10-11H2,1-2H3/t14-,15-,16-,18+,19-,20-,21-/m0/s1",JYGXADMDTFJGBT-VWUMJDOOSA-N,Hydrocortisone (cortisol),5754
Hydrocortisone (cortisol),O=C(CO)[C@](CC1)(O)[C@]2(C)[C@@H]1[C@@H]3CCC([C@@](CC4)(C)[C@H]3[C@@H](O)C2)=CC4=O,C21H30O5,8.18,363.2166041,187.79,[M+H],1,"InChI=1S/C21H30O5/c1-19-7-5-13(23)9-12(19)3-4-14-15-6-8-21(26,17(25)11-22)20(15,2)10-16(24)18(14)19/h9,14-16,18,22,24,26H,3-8,10-11H2,1-2H3/t14-,15-,16-,18+,19-,20-,21-/m0/s1",JYGXADMDTFJGBT-VWUMJDOOSA-N,Hydrocortisone (cortisol),5754
Hydroxy dimetridazole,OCC1=NC=C([N+]([O-])=O)N1C,C5H7N3O3,1.58,158.0560211,127.78,[M+H],1,"InChI=1S/C5H7N3O3/c1-7-4(3-9)6-2-5(7)8(10)11/h2,9H,3H2,1H3",JSAQDPJIVQMBAY-UHFFFAOYSA-N,Hydroxy dimetridazole,557356
Hydroxy-ipronidazole,CN1C([N+]([O-])=O)=CN=C1C(C)(O)C,C7H11N3O3,3.71,186.0873212,136.26,[M+H],1,"InChI=1S/C7H11N3O3/c1-7(2,11)6-8-4-5(9(6)3)10(12)13/h4,11H,1-3H3",DTHPMNDYKOSVFR-UHFFFAOYSA-N,Hydroxy-ipronidazole,598402
Hydroxymethyl clenbuterol,ClC1=CC(C(CN([H])C(C)(C)CO)O)=CC(Cl)=C1N([H])[H],C12H18Cl2N2O2,2.9,293.0818132,168.25,[M+H],1,"InChI=1S/C12H18Cl2N2O2/c1-12(2,6-17)16-5-10(18)7-3-8(13)11(15)9(14)4-7/h3-4,10,16-18H,5-6,15H2,1-2H3",BWURCANZQUYPLR-UHFFFAOYSA-N,Hydroxymethyl clenbuterol,217252
Hydroxymetronidazole,OCCN1C(CO)=NC=C1[N+]([O-])=O,C6H9N3O4,1.32,188.0665858,133.51,[M+H],1,"InChI=1S/C6H9N3O4/c10-2-1-8-5(4-11)7-3-6(8)9(12)13/h3,10-11H,1-2,4H2",AEHPOYAOLCAMIU-UHFFFAOYSA-N,Hydroxymetronidazole,121858
Hydroxytyrosol,c1cc(c(cc1CCO)O)O,C8H10O3,1.82,153.0557142,130.6,[M-H],-1,"InChI=1S/C8H10O3/c9-4-3-6-1-2-7(10)8(11)5-6/h1-2,5,9-11H,3-4H2",JUUBCHWRXWPFFH-UHFFFAOYSA-N,Hydroxytyrosol,82755
Imazalil,C=CCOC(CN1C=NC=C1)C2=C(Cl)C=C(Cl)C=C2,C14H14Cl2N2O,7.45,297.0555985,166.56,[M+H],1,"InChI=1S/C14H14Cl2N2O/c1-2-7-19-14(9-18-6-5-17-10-18)12-4-3-11(15)8-13(12)16/h2-6,8,10,14H,1,7,9H2",PZBPKYOVPCNPJY-UHFFFAOYSA-N,Imazalil,37175
Imidacloprid,O=[N+]([O-])NC1=NCCN1CC2=CC=C(N=C2)Cl,C9H10ClN5O2,3.94,254.0450223,158.48,[M-H],-1,"InChI=1S/C9H10ClN5O2/c10-8-2-1-7(5-12-8)6-14-4-3-11-9(14)13-15(16)17/h1-2,5H,3-4,6H2,(H,11,13)",YWTYJOPNNQFBPC-UHFFFAOYSA-N,Imidacloprid,86418
Imidacloprid,O=[N+]([O-])NC1=NCCN1CC2=CC=C(N=C2)Cl,C9H10ClN5O2,3.93,256.0595823,153.91,[M+H],1,"InChI=1S/C9H10ClN5O2/c10-8-2-1-7(5-12-8)6-14-4-3-11-9(14)13-15(16)17/h1-2,5H,3-4,6H2,(H,11,13)",YWTYJOPNNQFBPC-UHFFFAOYSA-N,Imidacloprid,86418
Imidacloprid,O=[N+]([O-])NC1=NCCN1CC2=CC=C(N=C2)Cl,C9H10ClN5O2,3.93,278.0415223,157.09,[M+Na],1,"InChI=1S/C9H10ClN5O2/c10-8-2-1-7(5-12-8)6-14-4-3-11-9(14)13-15(16)17/h1-2,5H,3-4,6H2,(H,11,13)",YWTYJOPNNQFBPC-UHFFFAOYSA-N,Imidacloprid,86418
Imipenem,O=C1N(C(C(O)=O)=C2SCCNC=N)[C@@](C2)([H])[C@@]1([H])[C@@H](C)O,C12H17N3O4S,0.87,300.1012572,169.26,[M+H],1,"InChI=1S/C12H17N3O4S/c1-6(16)9-7-4-8(20-3-2-14-5-13)10(12(18)19)15(7)11(9)17/h5-7,9,16H,2-4H2,1H3,(H2,13,14)(H,18,19)/t6-,7-,9-/m1/s1",ZSKVGTPCRGIANV-ZXFLCMHBSA-N,Imipenem,104838
Indoxacarb,ClC1=CC=C2C3=NN(C(N(C(OC)=O)C(C=C4)=CC=C4OC(F)(F)F)=O)CO[C@@]3(C(OC)=O)CC2=C1,C22H17ClF3N3O7,12.63,528.0779921,205.99,[M+H],1,"InChI=1S/C22H17ClF3N3O7/c1-33-18(30)21-10-12-9-13(23)3-8-16(12)17(21)27-28(11-35-21)19(31)29(20(32)34-2)14-4-6-15(7-5-14)36-22(24,25)26/h3-9H,10-11H2,1-2H3/t21-/m0/s1",VBCVPMMZEGZULK-NRFANRHFSA-N,Indoxacarb,107720
Indoxacarb,ClC1=CC=C2C3=NN(C(N(C(OC)=O)C(C=C4)=CC=C4OC(F)(F)F)=O)CO[C@@]3(C(OC)=O)CC2=C1,C22H17ClF3N3O7,12.63,550.0599321,219.64,[M+Na],1,"InChI=1S/C22H17ClF3N3O7/c1-33-18(30)21-10-12-9-13(23)3-8-16(12)17(21)27-28(11-35-21)19(31)29(20(32)34-2)14-4-6-15(7-5-14)36-22(24,25)26/h3-9H,10-11H2,1-2H3/t21-/m0/s1",VBCVPMMZEGZULK-NRFANRHFSA-N,Indoxacarb,107720
Iomeprol,IC(C(C(NCC(CO)O)=O)=C(C(C(NCC(CO)O)=O)=C1I)I)=C1N(C)C(CO)=O,C17H22I3N3O8,1.36,775.84682,211.2,[M-H],-1,"InChI=1S/C17H22I3N3O8/c1-23(9(29)6-26)15-13(19)10(16(30)21-2-7(27)4-24)12(18)11(14(15)20)17(31)22-3-8(28)5-25/h7-8,24-28H,2-6H2,1H3,(H,21,30)(H,22,31)",NJKDOADNQSYQEV-UHFFFAOYSA-N,Iomeprol,3731
Iomeprol,IC(C(C(NCC(CO)O)=O)=C(C(C(NCC(CO)O)=O)=C1I)I)=C1N(C)C(CO)=O,C17H22I3N3O8,1.38,777.86138,221.61,[M+H],1,"InChI=1S/C17H22I3N3O8/c1-23(9(29)6-26)15-13(19)10(16(30)21-2-7(27)4-24)12(18)11(14(15)20)17(31)22-3-8(28)5-25/h7-8,24-28H,2-6H2,1H3,(H,21,30)(H,22,31)",NJKDOADNQSYQEV-UHFFFAOYSA-N,Iomeprol,3731
Iopamidol,IC(C(C(NC(CO)CO)=O)=C1I)=C(C(NC(CO)CO)=O)C(I)=C1NC([C@H](C)O)=O,C17H22I3N3O8,1.03,775.84682,205.65,[M-H],-1,"InChI=1S/C17H22I3N3O8/c1-6(28)15(29)23-14-12(19)9(16(30)21-7(2-24)3-25)11(18)10(13(14)20)17(31)22-8(4-26)5-27/h6-8,24-28H,2-5H2,1H3,(H,21,30)(H,22,31)(H,23,29)/t6-/m0/s1",XQZXYNRDCRIARQ-LURJTMIESA-N,Iopamidol,65492
Iopamidol,IC(C(C(NC(CO)CO)=O)=C1I)=C(C(NC(CO)CO)=O)C(I)=C1NC([C@H](C)O)=O,C17H22I3N3O8,1.04,777.86138,219.24,[M+H],1,"InChI=1S/C17H22I3N3O8/c1-6(28)15(29)23-14-12(19)9(16(30)21-7(2-24)3-25)11(18)10(13(14)20)17(31)22-8(4-26)5-27/h6-8,24-28H,2-5H2,1H3,(H,21,30)(H,22,31)(H,23,29)/t6-/m0/s1",XQZXYNRDCRIARQ-LURJTMIESA-N,Iopamidol,65492
Iopromide,IC(C(C(NCC(CO)O)=O)=C1I)=C(C(N(C)CC(CO)O)=O)C(I)=C1NC(COC)=O,C18H24I3N3O8,2.05,789.86247,212.3,[M-H],-1,"InChI=1S/C18H24I3N3O8/c1-24(4-9(28)6-26)18(31)12-13(19)11(17(30)22-3-8(27)5-25)14(20)16(15(12)21)23-10(29)7-32-2/h8-9,25-28H,3-7H2,1-2H3,(H,22,30)(H,23,29)",DGAIEPBNLOQYER-UHFFFAOYSA-N,Iopromide,3736
Iopromide,IC(C(C(NCC(CO)O)=O)=C1I)=C(C(N(C)CC(CO)O)=O)C(I)=C1NC(COC)=O,C18H24I3N3O8,2.05,791.87703,223.51,[M+H],1,"InChI=1S/C18H24I3N3O8/c1-24(4-9(28)6-26)18(31)12-13(19)11(17(30)22-3-8(27)5-25)14(20)16(15(12)21)23-10(29)7-32-2/h8-9,25-28H,3-7H2,1-2H3,(H,22,30)(H,23,29)",DGAIEPBNLOQYER-UHFFFAOYSA-N,Iopromide,3736
Ioversol,IC(C(C(NCC(CO)O)=O)=C(C(C(NCC(CO)O)=O)=C1I)I)=C1N(CCO)C(CO)=O,C18H24I3N3O9,1,807.87194,216.25,[M+H],1,"InChI=1S/C18H24I3N3O9/c19-13-11(17(32)22-3-8(29)5-26)14(20)16(24(1-2-25)10(31)7-28)15(21)12(13)18(33)23-4-9(30)6-27/h8-9,25-30H,1-7H2,(H,22,32)(H,23,33)",AMDBBAQNWSUWGN-UHFFFAOYSA-N,Ioversol,3741
Ioxynil,c1c(cc(c(c1I)O)I)C#N,C7H3I2NO,8.98,369.82312,133.06,[M-H],-1,"InChI=1S/C7H3I2NO/c8-5-1-4(3-10)2-6(9)7(5)11/h1-2,11H",NRXQIUSYPAHGNM-UHFFFAOYSA-N,Ioxynil,15530
Iprodione,ClC1=CC(N2C(N(C(NC(C)C)=O)CC2=O)=O)=CC(Cl)=C1,C13H13Cl2N3O3,11.29,330.0406767,180,[M+H],1,"InChI=1S/C13H13Cl2N3O3/c1-7(2)16-12(20)17-6-11(19)18(13(17)21)10-4-8(14)3-9(15)5-10/h3-5,7H,6H2,1-2H3,(H,16,20)",ONUFESLQCSAYKA-UHFFFAOYSA-N,Iprodione,37517
Iprodione,ClC1=CC(N2C(N(C(NC(C)C)=O)CC2=O)=O)=CC(Cl)=C1,C13H13Cl2N3O3,11.29,352.0226167,194.08,[M+Na],1,"InChI=1S/C13H13Cl2N3O3/c1-7(2)16-12(20)17-6-11(19)18(13(17)21)10-4-8(14)3-9(15)5-10/h3-5,7H,6H2,1-2H3,(H,16,20)",ONUFESLQCSAYKA-UHFFFAOYSA-N,Iprodione,37517
Ipronidazole,O=[N+]([O-])C(N1C)=CN=C1C(C)C,C7H11N3O2,4.64,170.0924066,133.47,[M+H],1,"InChI=1S/C7H11N3O2/c1-5(2)7-8-4-6(9(7)3)10(11)12/h4-5H,1-3H3",NTAFJUSDNOSFFY-UHFFFAOYSA-N,Ipronidazole,26951
Iprovalicarb ,O=C([C@H](C(C)C)NC(OC(C)C)=O)NC(C)C1=CC=C(C)C=C1,C18H28N2O3,10.88,343.1992128,183.59,[M+Na],1,"InChI=1S/C18H28N2O3/c1-11(2)16(20-18(22)23-12(3)4)17(21)19-14(6)15-9-7-13(5)8-10-15/h7-12,14,16H,1-6H3,(H,19,21)(H,20,22)/t14?,16-/m0/s1",NWUWYYSKZYIQAE-WMCAAGNKSA-N,Iprovalicarb ,10958189
Irbesartan,O=C1N(C(CCCC)=NC12CCCC2)CC3=CC=C(C=C3)C4=CC=CC=C4C5=NN=NN5,C25H28N6O,10.02,427.2251795,214.21,[M-H],-1,"InChI=1S/C25H28N6O/c1-2-3-10-22-26-25(15-6-7-16-25)24(32)31(22)17-18-11-13-19(14-12-18)20-8-4-5-9-21(20)23-27-29-30-28-23/h4-5,8-9,11-14H,2-3,6-7,10,15-17H2,1H3,(H,27,28,29,30)",YOSHYTLCDANDAN-UHFFFAOYSA-N,Irbesartan,3749
Irbesartan,O=C1N(C(CCCC)=NC12CCCC2)CC3=CC=C(C=C3)C4=CC=CC=C4C5=NN=NN5,C25H28N6O,9.81,429.2397395,202.81,[M+H],1,"InChI=1S/C25H28N6O/c1-2-3-10-22-26-25(15-6-7-16-25)24(32)31(22)17-18-11-13-19(14-12-18)20-8-4-5-9-21(20)23-27-29-30-28-23/h4-5,8-9,11-14H,2-3,6-7,10,15-17H2,1H3,(H,27,28,29,30)",YOSHYTLCDANDAN-UHFFFAOYSA-N,Irbesartan,3749
Isopropylphenidate,O=C(OC(C)C)C(C1CCCCN1)C2=CC=CC=C2,C16H23NO2,5.68,262.180159,165.28,[M+H],1,"InChI=1S/C16H23NO2/c1-12(2)19-16(18)15(13-8-4-3-5-9-13)14-10-6-7-11-17-14/h3-5,8-9,12,14-15,17H,6-7,10-11H2,1-2H3",AZVPADMEIMLODT-UHFFFAOYSA-N,Isopropylphenidate,68314762
Isoproturon,O=C(NC1=CC=C(C(C)C)C=C1)N(C)C,C12H18N2O,8.71,207.1491932,151.9,[M+H],1,"InChI=1S/C12H18N2O/c1-9(2)10-5-7-11(8-6-10)13-12(15)14(3)4/h5-9H,1-4H3,(H,13,15)",PUIYMUZLKQOUOZ-UHFFFAOYSA-N,Isoproturon,36679
Isoproturon,O=C(NC1=CC=C(C(C)C)C=C1)N(C)C,C12H18N2O,8.71,229.1311332,158.37,[M+Na],1,"InChI=1S/C12H18N2O/c1-9(2)10-5-7-11(8-6-10)13-12(15)14(3)4/h5-9H,1-4H3,(H,13,15)",PUIYMUZLKQOUOZ-UHFFFAOYSA-N,Isoproturon,36679
Isopyrazam,O=C(NC1=CC=CC2=C1C3CCC2C3C(C)C)C4=CN(C)N=C4C(F)F,C20H23F2N3O,12.45,358.1736387,194.43,[M-H],-1,"InChI=1S/C20H23F2N3O/c1-10(2)16-12-7-8-13(16)17-11(12)5-4-6-15(17)23-20(26)14-9-25(3)24-18(14)19(21)22/h4-6,9-10,12-13,16,19H,7-8H2,1-3H3,(H,23,26)",XTDZGXBTXBEZDN-UHFFFAOYSA-N,Isopyrazam,25271089
Isopyrazam,O=C(NC1=CC=CC2=C1C3CCC2C3C(C)C)C4=CN(C)N=C4C(F)F,C20H23F2N3O,12.45,394.1503187,199.99,[M+Cl],-1,"InChI=1S/C20H23F2N3O/c1-10(2)16-12-7-8-13(16)17-11(12)5-4-6-15(17)23-20(26)14-9-25(3)24-18(14)19(21)22/h4-6,9-10,12-13,16,19H,7-8H2,1-3H3,(H,23,26)",XTDZGXBTXBEZDN-UHFFFAOYSA-N,Isopyrazam,25271089
Isopyrazam,O=C(NC1=CC=CC2=C1C3CCC2C3C(C)C)C4=CN(C)N=C4C(F)F,C20H23F2N3O,12.45,404.1791187,202.38,[M+HCOO],-1,"InChI=1S/C20H23F2N3O/c1-10(2)16-12-7-8-13(16)17-11(12)5-4-6-15(17)23-20(26)14-9-25(3)24-18(14)19(21)22/h4-6,9-10,12-13,16,19H,7-8H2,1-3H3,(H,23,26)",XTDZGXBTXBEZDN-UHFFFAOYSA-N,Isopyrazam,25271089
Isopyrazam,O=C(NC1=CC=CC2=C1C3CCC2C3C(C)C)C4=CN(C)N=C4C(F)F,C20H23F2N3O,12.47,360.1881987,184.74,[M+H],1,"InChI=1S/C20H23F2N3O/c1-10(2)16-12-7-8-13(16)17-11(12)5-4-6-15(17)23-20(26)14-9-25(3)24-18(14)19(21)22/h4-6,9-10,12-13,16,19H,7-8H2,1-3H3,(H,23,26)",XTDZGXBTXBEZDN-UHFFFAOYSA-N,Isopyrazam,25271089
Isopyrazam,O=C(NC1=CC=CC2=C1C3CCC2C3C(C)C)C4=CN(C)N=C4C(F)F,C20H23F2N3O,12.47,382.1701387,194.55,[M+Na],1,"InChI=1S/C20H23F2N3O/c1-10(2)16-12-7-8-13(16)17-11(12)5-4-6-15(17)23-20(26)14-9-25(3)24-18(14)19(21)22/h4-6,9-10,12-13,16,19H,7-8H2,1-3H3,(H,23,26)",XTDZGXBTXBEZDN-UHFFFAOYSA-N,Isopyrazam,25271089
Isoxaben,O=C(C(C(OC)=CC=C1)=C1OC)NC2=CC(C(CC)(C)CC)=NO2,C18H24N2O4,10.3,331.1663273,188.99,[M-H],-1,"InChI=1S/C18H24N2O4/c1-6-18(3,7-2)14-11-15(24-20-14)19-17(21)16-12(22-4)9-8-10-13(16)23-5/h8-11H,6-7H2,1-5H3,(H,19,21)",PMHURSZHKKJGBM-UHFFFAOYSA-N,Isoxaben,73672
Isoxaben,O=C(C(C(OC)=CC=C1)=C1OC)NC2=CC(C(CC)(C)CC)=NO2,C18H24N2O4,10.32,333.1808873,186.93,[M+H],1,"InChI=1S/C18H24N2O4/c1-6-18(3,7-2)14-11-15(24-20-14)19-17(21)16-12(22-4)9-8-10-13(16)23-5/h8-11H,6-7H2,1-5H3,(H,19,21)",PMHURSZHKKJGBM-UHFFFAOYSA-N,Isoxaben,73672
Isoxaben,O=C(C(C(OC)=CC=C1)=C1OC)NC2=CC(C(CC)(C)CC)=NO2,C18H24N2O4,10.32,355.1628273,199.01,[M+Na],1,"InChI=1S/C18H24N2O4/c1-6-18(3,7-2)14-11-15(24-20-14)19-17(21)16-12(22-4)9-8-10-13(16)23-5/h8-11H,6-7H2,1-5H3,(H,19,21)",PMHURSZHKKJGBM-UHFFFAOYSA-N,Isoxaben,73672
Isoxuprine,OC(C(C)NC(C)COC1=CC=CC=C1)C(C=C2)=CC=C2O,C18H23NO3,3.17,300.1605136,168.35,[M-H],-1,"InChI=1S/C18H23NO3/c1-13(12-22-17-6-4-3-5-7-17)19-14(2)18(21)15-8-10-16(20)11-9-15/h3-11,13-14,18-21H,12H2,1-2H3",BMUKKTUHUDJSNZ-UHFFFAOYSA-N,Isoxuprine,3783
Isoxuprine,OC(C(C)NC(C)COC1=CC=CC=C1)C(C=C2)=CC=C2O,C18H23NO3,4.75,302.1750736,172.94,[M+H],1,"InChI=1S/C18H23NO3/c1-13(12-22-17-6-4-3-5-7-17)19-14(2)18(21)15-8-10-16(20)11-9-15/h3-11,13-14,18-21H,12H2,1-2H3",BMUKKTUHUDJSNZ-UHFFFAOYSA-N,Isoxuprine,3783
JWH-007,O=C(C1=CC=CC2=CC=CC=C12)C3=C(C)N(C4=CC=CC=C43)CCCCC,C25H25NO,13.86,356.2008944,192.5,[M+H],1,"InChI=1S/C25H25NO/c1-3-4-9-17-26-18(2)24(22-14-7-8-16-23(22)26)25(27)21-15-10-12-19-11-5-6-13-20(19)21/h5-8,10-16H,3-4,9,17H2,1-2H3",IBBNKINXTRKICJ-UHFFFAOYSA-N,JWH-007,10360860
JWH-007,O=C(C1=CC=CC2=CC=CC=C12)C3=C(C)N(C4=CC=CC=C43)CCCCC,C25H25NO,13.86,378.1828344,208.98,[M+Na],1,"InChI=1S/C25H25NO/c1-3-4-9-17-26-18(2)24(22-14-7-8-16-23(22)26)25(27)21-15-10-12-19-11-5-6-13-20(19)21/h5-8,10-16H,3-4,9,17H2,1-2H3",IBBNKINXTRKICJ-UHFFFAOYSA-N,JWH-007,10360860
JWH-016,O=C(C1=C(C=CC=C2)C2=CC=C1)C(C3=C4C=CC=C3)=C(C)N4CCCC,C24H23NO,13.3,342.1852444,186.22,[M+H],1,"InChI=1S/C24H23NO/c1-3-4-16-25-17(2)23(21-13-7-8-15-22(21)25)24(26)20-14-9-11-18-10-5-6-12-19(18)20/h5-15H,3-4,16H2,1-2H3",QKXRHYJSCZFHEK-UHFFFAOYSA-N,JWH-016,44368310
JWH-016,O=C(C1=C(C=CC=C2)C2=CC=C1)C(C3=C4C=CC=C3)=C(C)N4CCCC,C24H23NO,13.3,364.1671844,203.58,[M+Na],1,"InChI=1S/C24H23NO/c1-3-4-16-25-17(2)23(21-13-7-8-15-22(21)25)24(26)20-14-9-11-18-10-5-6-12-19(18)20/h5-15H,3-4,16H2,1-2H3",QKXRHYJSCZFHEK-UHFFFAOYSA-N,JWH-016,44368310
JWH-019,O=C(C1=CC=CC2=C1C=CC=C2)C3=CN(CCCCCC)C4=C3C=CC=C4,C25H25NO,14.12,356.2008944,195.48,[M+H],1,"InChI=1S/C25H25NO/c1-2-3-4-9-17-26-18-23(21-14-7-8-16-24(21)26)25(27)22-15-10-12-19-11-5-6-13-20(19)22/h5-8,10-16,18H,2-4,9,17H2,1H3",PALJPGHWDUHUPO-UHFFFAOYSA-N,JWH-019,52224389
JWH-019,O=C(C1=CC=CC2=C1C=CC=C2)C3=CN(CCCCCC)C4=C3C=CC=C4,C25H25NO,14.12,378.1828344,211.31,[M+Na],1,"InChI=1S/C25H25NO/c1-2-3-4-9-17-26-18-23(21-14-7-8-16-24(21)26)25(27)22-15-10-12-19-11-5-6-13-20(19)22/h5-8,10-16,18H,2-4,9,17H2,1H3",PALJPGHWDUHUPO-UHFFFAOYSA-N,JWH-019,52224389
JWH-081,O=C(C(C1=CC=CC=C12)=CC=C2OC)C3=CN(C4=CC=CC=C43)CCCCC,C25H25NO2,13.84,372.195809,198.78,[M+H],1,"InChI=1S/C25H25NO2/c1-3-4-9-16-26-17-22(19-11-7-8-13-23(19)26)25(27)21-14-15-24(28-2)20-12-6-5-10-18(20)21/h5-8,10-15,17H,3-4,9,16H2,1-2H3",UBMPKJKGUQDHRM-UHFFFAOYSA-N,JWH-081,10547208
JWH-098,O=C(C1=C(C)N(CCCCC)C2=C1C=CC=C2)C3=C(C=CC=C4)C4=C(OC)C=C3,C26H27NO2,14.04,386.2114591,200.51,[M+H],1,"InChI=1S/C26H27NO2/c1-4-5-10-17-27-18(2)25(22-13-8-9-14-23(22)27)26(28)21-15-16-24(29-3)20-12-7-6-11-19(20)21/h6-9,11-16H,4-5,10,17H2,1-3H3",CNTCHEBQQFICNR-UHFFFAOYSA-N,JWH-098,45272116
JWH-122,O=C(C1=CN(CCCCC)C2=C1C=CC=C2)C3=C(C=CC=C4)C4=C(C)C=C3,C25H25NO,14.09,356.2008944,194.8,[M+H],1,"InChI=1S/C25H25NO/c1-3-4-9-16-26-17-23(21-12-7-8-13-24(21)26)25(27)22-15-14-18(2)19-10-5-6-11-20(19)22/h5-8,10-15,17H,3-4,9,16H2,1-2H3",HUKJQMKQFWYIHS-UHFFFAOYSA-N,JWH-122,44466638
JWH-147,O=C(C1=CN(CCCCCC)C(C2=CC=CC=C2)=C1)C3=C(C=CC=C4)C4=CC=C3,C27H27NO,14.6,382.2165445,205.9,[M+H],1,"InChI=1S/C27H27NO/c1-2-3-4-10-18-28-20-23(19-26(28)22-13-6-5-7-14-22)27(29)25-17-11-15-21-12-8-9-16-24(21)25/h5-9,11-17,19-20H,2-4,10,18H2,1H3",FRMYAMAGHYHNKF-UHFFFAOYSA-N,JWH-147,44418307
JWH-201,O=C(CC(C=C1)=CC=C1OC)C(C2=CC=CC=C32)=CN3CCCCC,C22H25NO2,12.74,336.195809,192.04,[M+H],1,"InChI=1S/C22H25NO2/c1-3-4-7-14-23-16-20(19-8-5-6-9-21(19)23)22(24)15-17-10-12-18(25-2)13-11-17/h5-6,8-13,16H,3-4,7,14-15H2,1-2H3",KQRKUKYSZPHOKC-UHFFFAOYSA-N,JWH-201,44397641
JWH-201,O=C(CC(C=C1)=CC=C1OC)C(C2=CC=CC=C32)=CN3CCCCC,C22H25NO2,12.74,358.177749,203.59,[M+Na],1,"InChI=1S/C22H25NO2/c1-3-4-7-14-23-16-20(19-8-5-6-9-21(19)23)22(24)15-17-10-12-18(25-2)13-11-17/h5-6,8-13,16H,3-4,7,14-15H2,1-2H3",KQRKUKYSZPHOKC-UHFFFAOYSA-N,JWH-201,44397641
JWH-203,O=C(CC(C=CC=C1)=C1Cl)C(C2=CC=CC=C32)=CN3CCCCC,C21H22ClNO,13.38,340.146272,185.15,[M+H],1,"InChI=1S/C21H22ClNO/c1-2-3-8-13-23-15-18(17-10-5-7-12-20(17)23)21(24)14-16-9-4-6-11-19(16)22/h4-7,9-12,15H,2-3,8,13-14H2,1H3",YDINKDBAZJOSLV-UHFFFAOYSA-N,JWH-203,44397500
JWH-203,O=C(CC(C=CC=C1)=C1Cl)C(C2=CC=CC=C32)=CN3CCCCC,C21H22ClNO,13.38,362.128212,200.25,[M+Na],1,"InChI=1S/C21H22ClNO/c1-2-3-8-13-23-15-18(17-10-5-7-12-20(17)23)21(24)14-16-9-4-6-11-19(16)22/h4-7,9-12,15H,2-3,8,13-14H2,1H3",YDINKDBAZJOSLV-UHFFFAOYSA-N,JWH-203,44397500
JWH-210,O=C(C1=CN(CCCCC)C2=C1C=CC=C2)C3=C(C=CC=C4)C4=C(CC)C=C3,C26H27NO,14.44,370.2165445,200.63,[M+H],1,"InChI=1S/C26H27NO/c1-3-5-10-17-27-18-24(22-13-8-9-14-25(22)27)26(28)23-16-15-19(4-2)20-11-6-7-12-21(20)23/h6-9,11-16,18H,3-5,10,17H2,1-2H3",LACIUQLUNACUKC-UHFFFAOYSA-N,JWH-210,45270396
JWH-250,O=C(CC(C=CC=C1)=C1OC)C(C2=CC=CC=C32)=CN3CCCCC,C22H25NO2,12.97,336.195809,187.58,[M+H],1,"InChI=1S/C22H25NO2/c1-3-4-9-14-23-16-19(18-11-6-7-12-20(18)23)21(24)15-17-10-5-8-13-22(17)25-2/h5-8,10-13,16H,3-4,9,14-15H2,1-2H3",FFLSJIQJQKDDCM-UHFFFAOYSA-N,JWH-250,44397540
JWH-250,O=C(CC(C=CC=C1)=C1OC)C(C2=CC=CC=C32)=CN3CCCCC,C22H25NO2,12.97,358.177749,200.19,[M+Na],1,"InChI=1S/C22H25NO2/c1-3-4-9-14-23-16-19(18-11-6-7-12-20(18)23)21(24)15-17-10-5-8-13-22(17)25-2/h5-8,10-13,16H,3-4,9,14-15H2,1-2H3",FFLSJIQJQKDDCM-UHFFFAOYSA-N,JWH-250,44397540
JWH-251,O=C(CC1=CC=CC=C1C)C2=CN(C3=CC=CC=C32)CCCCC,C22H25NO,13.33,320.2008944,183.93,[M+H],1,"InChI=1S/C22H25NO/c1-3-4-9-14-23-16-20(19-12-7-8-13-21(19)23)22(24)15-18-11-6-5-10-17(18)2/h5-8,10-13,16H,3-4,9,14-15H2,1-2H3",YBIPNGRKUAVSBG-UHFFFAOYSA-N,JWH-251,11616723
JWH-302,O=C(CC1=CC(OC)=CC=C1)C2=CN(C3=CC=CC=C32)CCCCC,C22H25NO2,12.77,336.195809,190.44,[M+H],1,"InChI=1S/C22H25NO2/c1-3-4-7-13-23-16-20(19-11-5-6-12-21(19)23)22(24)15-17-9-8-10-18(14-17)25-2/h5-6,8-12,14,16H,3-4,7,13,15H2,1-2H3",XZVYWLVYUAQEIM-UHFFFAOYSA-N,JWH-302,11493740
JWH-302,O=C(CC1=CC(OC)=CC=C1)C2=CN(C3=CC=CC=C32)CCCCC,C22H25NO2,12.77,358.177749,202.45,[M+Na],1,"InChI=1S/C22H25NO2/c1-3-4-7-13-23-16-20(19-11-5-6-12-21(19)23)22(24)15-17-9-8-10-18(14-17)25-2/h5-6,8-12,14,16H,3-4,7,13,15H2,1-2H3",XZVYWLVYUAQEIM-UHFFFAOYSA-N,JWH-302,11493740
JWH-398,O=C(C1=CC=C(Cl)C2=CC=CC=C12)C3=CN(CCCCC)C4=CC=CC=C34,C24H22ClNO,14.47,376.146272,195.74,[M+H],1,"InChI=1S/C24H22ClNO/c1-2-3-8-15-26-16-21(19-11-6-7-12-23(19)26)24(27)20-13-14-22(25)18-10-5-4-9-17(18)20/h4-7,9-14,16H,2-3,8,15H2,1H3",IUWBHGFOHXVVKV-UHFFFAOYSA-N,JWH-398,57458928
Ketamine,ClC1=C(C=CC=C1)C(C2=O)(CCCC2)NC,C13H16ClNO,3.63,238.0993218,148.84,[M+H],1,"InChI=1S/C13H16ClNO/c1-15-13(9-5-4-8-12(13)16)10-6-2-3-7-11(10)14/h2-3,6-7,15H,4-5,8-9H2,1H3",YQEZLKZALYSWHR-UHFFFAOYSA-N,Ketamine,3821
Ketoprofen,OC(C(C1=CC(C(C2=CC=CC=C2)=O)=CC=C1)C)=O,C16H14O3,9.45,255.1015743,158.08,[M+H],1,"InChI=1S/C16H14O3/c1-11(16(18)19)13-8-5-9-14(10-13)15(17)12-6-3-2-4-7-12/h2-11H,1H3,(H,18,19)",DKYWVDODHFEZIM-UHFFFAOYSA-N,Ketoprofen,3825
Ketoprofen,OC(C(C1=CC(C(C2=CC=CC=C2)=O)=CC=C1)C)=O,C16H14O3,9.45,277.0835143,165.87,[M+Na],1,"InChI=1S/C16H14O3/c1-11(16(18)19)13-8-5-9-14(10-13)15(17)12-6-3-2-4-7-12/h2-11H,1H3,(H,18,19)",DKYWVDODHFEZIM-UHFFFAOYSA-N,Ketoprofen,3825
lambda-Cyhalothrin isomer I,N#CC(C1=CC=CC(OC2=CC=CC=C2)=C1)OC([C@@]3([H])C(C)(C)[C@@]([H])3/C=C(Cl)\C(F)(F)F)=O,C23H19ClF3NO3,14.21,472.0897757,208.66,[M+Na],1,"InChI=1S/C23H19ClF3NO3/c1-22(2)17(12-19(24)23(25,26)27)20(22)21(29)31-18(13-28)14-7-6-10-16(11-14)30-15-8-4-3-5-9-15/h3-12,17-18,20H,1-2H3/b19-12+/t17-,18?,20+/m1/s1",ZXQYGBMAQZUVMI-UKZICOKMSA-N,lambda-Cyhalothrin isomer I,45358380
lambda-Cyhalothrin isomer II,N#CC(C1=CC=CC(OC2=CC=CC=C2)=C1)OC([C@@]3([H])C(C)(C)[C@@]([H])3/C=C(Cl)\C(F)(F)F)=O,C23H19ClF3NO3,14.3,472.0897757,190.04,[M+Na],1,"InChI=1S/C23H19ClF3NO3/c1-22(2)17(12-19(24)23(25,26)27)20(22)21(29)31-18(13-28)14-7-6-10-16(11-14)30-15-8-4-3-5-9-15/h3-12,17-18,20H,1-2H3/b19-12+/t17-,18?,20+/m1/s1",ZXQYGBMAQZUVMI-UKZICOKMSA-N,lambda-Cyhalothrin isomer II,45358380
Leptophos,BrC1=C(C=C(C(Cl)=C1)OP(OC)(C2=CC=CC=C2)=S)Cl,C13H10BrCl2O2PS,14.82,410.877236,169.83,[M+H],1,"InChI=1S/C13H10BrCl2O2PS/c1-17-19(20,9-5-3-2-4-6-9)18-13-8-11(15)10(14)7-12(13)16/h2-8H,1H3",CVRALZAYCYJELZ-UHFFFAOYSA-N,Leptophos,30709
Leuco Cristal Violet,CN(C)C1=CC=C(C=C1)C(C(C=C2)=CC=C2N(C)C)C(C=C3)=CC=C3N(C)C,C25H31N3,8.36,374.259078,216.47,[M+H],1,"InChI=1S/C25H31N3/c1-26(2)22-13-7-19(8-14-22)25(20-9-15-23(16-10-20)27(3)4)21-11-17-24(18-12-21)28(5)6/h7-18,25H,1-6H3",OAZWDJGLIYNYMU-UHFFFAOYSA-N,Leuco Cristal Violet,69048
Leucomalachite green,CN(C)C1=CC=C(C=C1)C(C2=CC=CC=C2)C(C=C3)=CC=C3N(C)C,C23H26N2,11.14,331.2168788,199.77,[M+H],1,"InChI=1S/C23H26N2/c1-24(2)21-14-10-19(11-15-21)23(18-8-6-5-7-9-18)20-12-16-22(17-13-20)25(3)4/h5-17,23H,1-4H3",WZKXBGJNNCGHIC-UHFFFAOYSA-N,Leucomalachite green,67215
Levamisole,[H][C@@]1(C2=CC=CC=C2)N=C3N(C1)CCS3,C11H12N2S,1.93,205.0793996,143.51,[M+H],1,"InChI=1S/C11H12N2S/c1-2-4-9(5-3-1)10-8-13-6-7-14-11(13)12-10/h1-5,10H,6-8H2/t10-/m1/s1",HLFSDGLLUJUHTE-SNVBAGLBSA-N,Levamisole,26879
Levamisole,[H][C@@]1(C2=CC=CC=C2)N=C3N(C1)CCS3,C11H12N2S,1.93,227.0613396,154.17,[M+Na],1,"InChI=1S/C11H12N2S/c1-2-4-9(5-3-1)10-8-13-6-7-14-11(13)12-10/h1-5,10H,6-8H2/t10-/m1/s1",HLFSDGLLUJUHTE-SNVBAGLBSA-N,Levamisole,26879
Lidocaine,O=C(CN(CC)CC)NC1=C(C)C=CC=C1C,C14H22N2O,3,235.1804933,158.92,[M+H],1,"InChI=1S/C14H22N2O/c1-5-16(6-2)10-13(17)15-14-11(3)8-7-9-12(14)4/h7-9H,5-6,10H2,1-4H3,(H,15,17)",NNJVILVZKWQKPM-UHFFFAOYSA-N,Lidocaine,3676
Lincomycin,O[C@H]([C@@H]([C@H]1O)O)[C@]([C@@H]([C@@H](C)O)NC([C@H]2N(C)C[C@H](CCC)C2)=O)([H])O[C@@H]1SC,C18H34N2O6S,2.46,405.206478,202.26,[M-H],-1,"InChI=1S/C18H34N2O6S/c1-5-6-10-7-11(20(3)8-10)17(25)19-12(9(2)21)16-14(23)13(22)15(24)18(26-16)27-4/h9-16,18,21-24H,5-8H2,1-4H3,(H,19,25)/t9-,10-,11+,12-,13+,14-,15-,16-,18-/m1/s1",OJMMVQQUTAEWLP-KIDUDLJLSA-N,Lincomycin,3000540
Lincomycin,O[C@H]([C@@H]([C@H]1O)O)[C@]([C@@H]([C@@H](C)O)NC([C@H]2N(C)C[C@H](CCC)C2)=O)([H])O[C@@H]1SC,C18H34N2O6S,2.59,407.221038,201.18,[M+H],1,"InChI=1S/C18H34N2O6S/c1-5-6-10-7-11(20(3)8-10)17(25)19-12(9(2)21)16-14(23)13(22)15(24)18(26-16)27-4/h9-16,18,21-24H,5-8H2,1-4H3,(H,19,25)/t9-,10-,11+,12-,13+,14-,15-,16-,18-/m1/s1",OJMMVQQUTAEWLP-KIDUDLJLSA-N,Lincomycin,3000540
Lincomycin,O[C@H]([C@@H]([C@H]1O)O)[C@]([C@@H]([C@@H](C)O)NC([C@H]2N(C)C[C@H](CCC)C2)=O)([H])O[C@@H]1SC,C18H34N2O6S,2.59,429.202978,204.06,[M+Na],1,"InChI=1S/C18H34N2O6S/c1-5-6-10-7-11(20(3)8-10)17(25)19-12(9(2)21)16-14(23)13(22)15(24)18(26-16)27-4/h9-16,18,21-24H,5-8H2,1-4H3,(H,19,25)/t9-,10-,11+,12-,13+,14-,15-,16-,18-/m1/s1",OJMMVQQUTAEWLP-KIDUDLJLSA-N,Lincomycin,3000540
Linuron,CON(C)C(NC1=CC(Cl)=C(Cl)C=C1)=O,C9H10Cl2N2O2,9.65,249.019213,151.01,[M+H],1,"InChI=1S/C9H10Cl2N2O2/c1-13(15-2)9(14)12-6-3-4-7(10)8(11)5-6/h3-5H,1-2H3,(H,12,14)",XKJMBINCVNINCA-UHFFFAOYSA-N,Linuron,9502
Linuron,CON(C)C(NC1=CC(Cl)=C(Cl)C=C1)=O,C9H10Cl2N2O2,9.65,271.001153,162.44,[M+Na],1,"InChI=1S/C9H10Cl2N2O2/c1-13(15-2)9(14)12-6-3-4-7(10)8(11)5-6/h3-5H,1-2H3,(H,12,14)",XKJMBINCVNINCA-UHFFFAOYSA-N,Linuron,9502
Lorazepam,ClC1=C(C=CC=C1)C(C2=CC(Cl)=CC=C2NC3=O)=NC3O,C15H10Cl2N2O2,8.87,319.004653,169.42,[M-H],-1,"InChI=1S/C15H10Cl2N2O2/c16-8-5-6-12-10(7-8)13(19-15(21)14(20)18-12)9-3-1-2-4-11(9)17/h1-7,15,21H,(H,18,20)",DIWRORZWFLOCLC-UHFFFAOYSA-N,Lorazepam,3958
Lorazepam,ClC1=C(C=CC=C1)C(C2=CC(Cl)=CC=C2NC3=O)=NC3O,C15H10Cl2N2O2,8.91,321.019213,166.11,[M+H],1,"InChI=1S/C15H10Cl2N2O2/c16-8-5-6-12-10(7-8)13(19-15(21)14(20)18-12)9-3-1-2-4-11(9)17/h1-7,15,21H,(H,18,20)",DIWRORZWFLOCLC-UHFFFAOYSA-N,Lorazepam,3958
Lorazepam,ClC1=C(C=CC=C1)C(C2=CC(Cl)=CC=C2NC3=O)=NC3O,C15H10Cl2N2O2,8.91,343.001153,180.74,[M+Na],1,"InChI=1S/C15H10Cl2N2O2/c16-8-5-6-12-10(7-8)13(19-15(21)14(20)18-12)9-3-1-2-4-11(9)17/h1-7,15,21H,(H,18,20)",DIWRORZWFLOCLC-UHFFFAOYSA-N,Lorazepam,3958
Losartan,ClC1=C(CO)N(CC2=CC=C(C=C2)C3=CC=CC=C3C4=NN=NN4)C(CCCC)=N1,C22H23ClN6O,9.3,421.1549071,206.82,[M-H],-1,"InChI=1S/C22H23ClN6O/c1-2-3-8-20-24-21(23)19(14-30)29(20)13-15-9-11-16(12-10-15)17-6-4-5-7-18(17)22-25-27-28-26-22/h4-7,9-12,30H,2-3,8,13-14H2,1H3,(H,25,26,27,28)",PSIFNNKUMBGKDQ-UHFFFAOYSA-N,Losartan,3961
Losartan ,ClC1=C(CO)N(CC2=CC=C(C=C2)C3=CC=CC=C3C4=NN=NN4)C(CCCC)=N1,C22H23ClN6O,9.26,423.1694671,200.49,[M+H],1,"InChI=1S/C22H23ClN6O/c1-2-3-8-20-24-21(23)19(14-30)29(20)13-15-9-11-16(12-10-15)17-6-4-5-7-18(17)22-25-27-28-26-22/h4-7,9-12,30H,2-3,8,13-14H2,1H3,(H,25,26,27,28)",PSIFNNKUMBGKDQ-UHFFFAOYSA-N,Losartan ,3961
Losartan carboxylic acid,ClC1=C(C(O)=O)N(CC(C=C2)=CC=C2C3=CC=CC=C3C4=NN=NN4)C(CCCC)=N1,C22H21ClN6O2,9.69,435.1341716,205.08,[M-H],-1,"InChI=1S/C22H21ClN6O2/c1-2-3-8-18-24-20(23)19(22(30)31)29(18)13-14-9-11-15(12-10-14)16-6-4-5-7-17(16)21-25-27-28-26-21/h4-7,9-12H,2-3,8,13H2,1H3,(H,30,31)(H,25,26,27,28)",ZEUXAIYYDDCIRX-UHFFFAOYSA-N,Losartan carboxylic acid,108185
Losartan Carboxylic acid,ClC1=C(C(O)=O)N(CC(C=C2)=CC=C2C3=CC=CC=C3C4=NN=NN4)C(CCCC)=N1,C22H21ClN6O2,9.76,437.1487316,201.1,[M+H],1,"InChI=1S/C22H21ClN6O2/c1-2-3-8-18-24-20(23)19(22(30)31)29(18)13-14-9-11-15(12-10-14)16-6-4-5-7-17(16)21-25-27-28-26-21/h4-7,9-12H,2-3,8,13H2,1H3,(H,30,31)(H,25,26,27,28)",ZEUXAIYYDDCIRX-UHFFFAOYSA-N,Losartan Carboxylic acid,108185
Lovastatin,O[C@@H](C1)C[C@@H](CC[C@@H]([C@@H](C)C=CC2=C[C@H](C)C3)[C@@]2([H])[C@H]3OC([C@@H](C)CC)=O)OC1=O,C24H36O5,13.15,427.2454943,204.72,[M+Na],1,"InChI=1S/C24H36O5/c1-5-15(3)24(27)29-21-11-14(2)10-17-7-6-16(4)20(23(17)21)9-8-19-12-18(25)13-22(26)28-19/h6-7,10,14-16,18-21,23,25H,5,8-9,11-13H2,1-4H3/t14-,15-,16-,18+,19+,20-,21-,23-/m0/s1",PCZOHLXUXFIOCF-BXMDZJJMSA-N,Lovastatin,53232
Lufenuron,ClC(C(OC(F)(C(C(F)(F)F)F)F)=C1)=CC(NC(NC(C(C(F)=CC=C2)=C2F)=O)=O)=C1Cl,C17H8Cl2F8N2O3,13.42,510.9857028,196.94,[M+H],1,"InChI=1S/C17H8Cl2F8N2O3/c18-6-5-11(32-17(26,27)14(22)16(23,24)25)7(19)4-10(6)28-15(31)29-13(30)12-8(20)2-1-3-9(12)21/h1-5,14H,(H2,28,29,30,31)",PWPJGUXAGUPAHP-UHFFFAOYSA-N,Lufenuron,71777
Lufenuron,ClC(C(OC(F)(C(C(F)(F)F)F)F)=C1)=CC(NC(NC(C(C(F)=CC=C2)=C2F)=O)=O)=C1Cl,C17H8Cl2F8N2O3,13.42,532.9676428,211.45,[M+Na],1,"InChI=1S/C17H8Cl2F8N2O3/c18-6-5-11(32-17(26,27)14(22)16(23,24)25)7(19)4-10(6)28-15(31)29-13(30)12-8(20)2-1-3-9(12)21/h1-5,14H,(H2,28,29,30,31)",PWPJGUXAGUPAHP-UHFFFAOYSA-N,Lufenuron,71777
MAB-CHMINACA,O=C(C1=NN(C2=C1C=CC=C2)CC3CCCCC3)NC(C(C)(C)C)C(N)=O,C21H30N4O2,12.86,371.2441562,199.52,[M+H],1,"InChI=1S/C21H30N4O2/c1-21(2,3)18(19(22)26)23-20(27)17-15-11-7-8-12-16(15)25(24-17)13-14-9-5-4-6-10-14/h7-8,11-12,14,18H,4-6,9-10,13H2,1-3H3,(H2,22,26)(H,23,27)",ZWCCSIUBHCZKOY-UHFFFAOYSA-N,MAB-CHMINACA,77565944
MAB-CHMINACA,O=C(C1=NN(C2=C1C=CC=C2)CC3CCCCC3)NC(C(C)(C)C)C(N)=O,C21H30N4O2,12.86,354.2176062,195.95,[M+H-NH3],1,"InChI=1S/C21H30N4O2/c1-21(2,3)18(19(22)26)23-20(27)17-15-11-7-8-12-16(15)25(24-17)13-14-9-5-4-6-10-14/h7-8,11-12,14,18H,4-6,9-10,13H2,1-3H3,(H2,22,26)(H,23,27)",ZWCCSIUBHCZKOY-UHFFFAOYSA-N,MAB-CHMINACA,77565944
MAB-CHMINACA,O=C(C1=NN(C2=C1C=CC=C2)CC3CCCCC3)NC(C(C)(C)C)C(N)=O,C21H30N4O2,12.86,393.2260962,210.84,[M+Na],1,"InChI=1S/C21H30N4O2/c1-21(2,3)18(19(22)26)23-20(27)17-15-11-7-8-12-16(15)25(24-17)13-14-9-5-4-6-10-14/h7-8,11-12,14,18H,4-6,9-10,13H2,1-3H3,(H2,22,26)(H,23,27)",ZWCCSIUBHCZKOY-UHFFFAOYSA-N,MAB-CHMINACA,77565944
Mabuterol,OC(CNC(C)(C)C)C1=CC(C(F)(F)F)=C(N)C(Cl)=C1,C13H18ClF3N2O,4.67,311.1132554,169.44,[M+H],1,"InChI=1S/C13H18ClF3N2O/c1-12(2,3)19-6-10(20)7-4-8(13(15,16)17)11(18)9(14)5-7/h4-5,10,19-20H,6,18H2,1-3H3",JSJCTEKTBOKRST-UHFFFAOYSA-N,Mabuterol,3995
Maduramicin,O[C@@]1(C)O[C@]([C@@H](C)C[C@H]1C)([H])[C@](C2)([H])O[C@@]([C@H]2O[C@H](C[C@@H]3OC)O[C@@H](C)[C@@H]3OC)([H])[C@@](CC4)(C)O[C@@]4([H])[C@@](CC5)(C)O[C@]5(C6)O[C@]([C@H](C)[C@H]6O)([H])[C@@H](C)[C@]([C@@H]([C@H]7OC)OC)([H])O[C@@]([C@H]7C)(CC(O)=O)O,C47H80O17,15.52,939.5287711,321.88,[M+Na],1,"InChI=1S/C47H80O17/c1-23-18-24(2)45(9,51)61-36(23)31-19-32(58-35-20-30(53-10)40(55-12)28(6)57-35)42(59-31)44(8)15-14-33(60-44)43(7)16-17-46(64-43)21-29(48)25(3)37(62-46)26(4)38-41(56-13)39(54-11)27(5)47(52,63-38)22-34(49)50/h23-33,35-42,48,51-52H,14-22H2,1-13H3,(H,49,50)/t23-,24+,25+,26+,27-,28-,29-,30-,31+,32-,33+,35+,36-,37-,38-,39-,40-,41-,42+,43-,44-,45-,46+,47+/m0/s1",RWVUEZAROXKXRT-VQLSFVLHSA-N,Maduramicin,196129
Malachite green (quat N+),CN(C)C1=CC=C(C=C1)/C(C2=CC=CC=C2)=C(C=C/3)\C=CC3=[N+](C)\C,C23H25N2,8.52,330.2085052,190.05,[M+H],1,"InChI=1S/C23H25N2/c1-24(2)21-14-10-19(11-15-21)23(18-8-6-5-7-9-18)20-12-16-22(17-13-20)25(3)4/h5-17H,1-4H3/q+1",VFCNQNZNPKRXIT-UHFFFAOYSA-N,Malachite green (quat N+),11295
Malaoxon ,O=P(OC)(OC)SC(CC(OCC)=O)C(OCC)=O,C10H19O7PS,7.56,315.0661911,161.98,[M+H],1,"InChI=1S/C10H19O7PS/c1-5-16-9(11)7-8(10(12)17-6-2)19-18(13,14-3)15-4/h8H,5-7H2,1-4H3",WSORODGWGUUOBO-UHFFFAOYSA-N,Malaoxon ,15415
Malaoxon ,O=P(OC)(OC)SC(CC(OCC)=O)C(OCC)=O,C10H19O7PS,7.56,337.0481311,164.4,[M+Na],1,"InChI=1S/C10H19O7PS/c1-5-16-9(11)7-8(10(12)17-6-2)19-18(13,14-3)15-4/h8H,5-7H2,1-4H3",WSORODGWGUUOBO-UHFFFAOYSA-N,Malaoxon ,15415
Malathion,S=P(OC)(OC)SC(CC(OCC)=O)C(OCC)=O,C10H19O6PS2,10.15,329.0287877,170.31,[M-H],-1,"InChI=1S/C10H19O6PS2/c1-5-15-9(11)7-8(10(12)16-6-2)19-17(18,13-3)14-4/h8H,5-7H2,1-4H3",JXSJBGJIGXNWCI-UHFFFAOYSA-N,Malathion,4004
Malathion,S=P(OC)(OC)SC(CC(OCC)=O)C(OCC)=O,C10H19O6PS2,10.4,331.0433477,165.69,[M+H],1,"InChI=1S/C10H19O6PS2/c1-5-15-9(11)7-8(10(12)16-6-2)19-17(18,13-3)14-4/h8H,5-7H2,1-4H3",JXSJBGJIGXNWCI-UHFFFAOYSA-N,Malathion,4004
Malathion,S=P(OC)(OC)SC(CC(OCC)=O)C(OCC)=O,C10H19O6PS2,10.4,353.0252877,172.11,[M+Na],1,"InChI=1S/C10H19O6PS2/c1-5-15-9(11)7-8(10(12)16-6-2)19-17(18,13-3)14-4/h8H,5-7H2,1-4H3",JXSJBGJIGXNWCI-UHFFFAOYSA-N,Malathion,4004
Mapenterol,ClC1=CC(C(CN([H])C(C)(C)CC)O)=CC(C(F)(F)F)=C1N([H])[H],C14H20ClF3N2O,5.08,325.1289055,172.36,[M+H],1,"InChI=1S/C14H20ClF3N2O/c1-4-13(2,3)20-7-11(21)8-5-9(14(16,17)18)12(19)10(15)6-8/h5-6,11,20-21H,4,7,19H2,1-3H3",KGOIKOVSEVRHNH-UHFFFAOYSA-N,Mapenterol,178787
Marbofloxacin,FC1=C(C2=C(C(C(C(C(O)=O)=C3)=O)=C1)N3N(C)CO2)N4CCN(C)CC4,C17H19FN4O4,2.63,363.1463133,191.21,[M+H],1,"InChI=1S/C17H19FN4O4/c1-19-3-5-21(6-4-19)14-12(18)7-10-13-16(14)26-9-20(2)22(13)8-11(15(10)23)17(24)25/h7-8H,3-6,9H2,1-2H3,(H,24,25)",BPFYOAJNDMUVBL-UHFFFAOYSA-N,Marbofloxacin,60651
Marbofloxacin,FC1=C(C2=C(C(C(C(C(O)=O)=C3)=O)=C1)N3N(C)CO2)N4CCN(C)CC4,C17H19FN4O4,2.63,385.1282533,195.77,[M+Na],1,"InChI=1S/C17H19FN4O4/c1-19-3-5-21(6-4-19)14-12(18)7-10-13-16(14)26-9-20(2)22(13)8-11(15(10)23)17(24)25/h7-8H,3-6,9H2,1-2H3,(H,24,25)",BPFYOAJNDMUVBL-UHFFFAOYSA-N,Marbofloxacin,60651
MBDB,CCC(CC(C=C1)=CC2=C1OCO2)N([H])C,C12H17NO2,3.55,208.1332088,148.37,[M+H],1,"InChI=1S/C12H17NO2/c1-3-10(13-2)6-9-4-5-11-12(7-9)15-8-14-11/h4-5,7,10,13H,3,6,8H2,1-2H3",USWVWJSAJAEEHQ-UHFFFAOYSA-N,MBDB,124844
MCPA,Cc1cc(ccc1OCC(=O)O)Cl,C9H9ClO3,8.92,199.0167418,146.16,[M-H],-1,"InChI=1S/C9H9ClO3/c1-6-4-7(10)2-3-8(6)13-5-9(11)12/h2-4H,5H2,1H3,(H,11,12)",WHKUVVPPKQRRBV-UHFFFAOYSA-N,MCPA,7204
MDMA,CC(CC1=CC2=C(C=C1)OCO2)NC,C11H15NO2,2.61,194.1175587,145.77,[M+H],1,"InChI=1S/C11H15NO2/c1-8(12-2)5-9-3-4-10-11(6-9)14-7-13-10/h3-4,6,8,12H,5,7H2,1-2H3",SHXWCVYOXRDMCX-UHFFFAOYSA-N,MDMA,1615
MDMA,CC(CC1=CC2=C(C=C1)OCO2)NC,C11H15NO2,2.61,176.1069987,135.84,[M+H-H2O],1,"InChI=1S/C11H15NO2/c1-8(12-2)5-9-3-4-10-11(6-9)14-7-13-10/h3-4,6,8,12H,5,7H2,1-2H3",SHXWCVYOXRDMCX-UHFFFAOYSA-N,MDMA,1615
MDMB-CHMICA,O=C(C1=CN(C2=C1C=CC=C2)CC3CCCCC3)N[C@](C(OC)=O)(C(C)(C)C)[H],C23H32N2O3,13.61,385.2485729,204.58,[M+H],1,"InChI=1S/C23H32N2O3/c1-23(2,3)20(22(27)28-4)24-21(26)18-15-25(14-16-10-6-5-7-11-16)19-13-9-8-12-17(18)19/h8-9,12-13,15-16,20H,5-7,10-11,14H2,1-4H3,(H,24,26)/t20-/m1/s1",SRJKCVHWIDFUBO-HXUWFJFHSA-N,MDMB-CHMICA,125181404
MDMB-CHMICA,O=C(C1=CN(C2=C1C=CC=C2)CC3CCCCC3)N[C@](C(OC)=O)(C(C)(C)C)[H],C23H32N2O3,13.61,407.2305129,216.95,[M+Na],1,"InChI=1S/C23H32N2O3/c1-23(2,3)20(22(27)28-4)24-21(26)18-15-25(14-16-10-6-5-7-11-16)19-13-9-8-12-17(18)19/h8-9,12-13,15-16,20H,5-7,10-11,14H2,1-4H3,(H,24,26)/t20-/m1/s1",SRJKCVHWIDFUBO-HXUWFJFHSA-N,MDMB-CHMICA,125181404
"MDP2P glycidate (3,4-Methylenedioxyphenylpropan-2-one glycidate)",O=C(OC)C1(C)C(C2=CC(OCO3)=C3C=C2)O1,C12H12O5,8.6,237.0757535,146.08,[M+H],1,"InChI=1S/C12H12O5/c1-12(11(13)14-2)10(17-12)7-3-4-8-9(5-7)16-6-15-8/h3-5,10H,6H2,1-2H3",NEWFBAYQRLTJTP-UHFFFAOYSA-N,"MDP2P glycidate (3,4-Methylenedioxyphenylpropan-2-one glycidate)",91600766
"MDP2P glycidate (3,4-Methylenedioxyphenylpropan-2-one glycidate)",O=C(OC)C1(C)C(C2=CC(OCO3)=C3C=C2)O1,C12H12O5,8.6,259.0576935,164.94,[M+Na],1,"InChI=1S/C12H12O5/c1-12(11(13)14-2)10(17-12)7-3-4-8-9(5-7)16-6-15-8/h3-5,10H,6H2,1-2H3",NEWFBAYQRLTJTP-UHFFFAOYSA-N,"MDP2P glycidate (3,4-Methylenedioxyphenylpropan-2-one glycidate)",91600766
"MDPBP (3',4'-Methylenedioxy-alpha-pyrrolidinobutyrophenone)",O=C(C(CC)N1CCCC1)C2=CC(OCO3)=C3C=C2,C15H19NO3,3.4,262.1437735,161.43,[M+H],1,"InChI=1S/C15H19NO3/c1-2-12(16-7-3-4-8-16)15(17)11-5-6-13-14(9-11)19-10-18-13/h5-6,9,12H,2-4,7-8,10H2,1H3",OLVLMDVPMCIBQW-UHFFFAOYSA-N,"MDPBP (3',4'-Methylenedioxy-alpha-pyrrolidinobutyrophenone)",71300672
MDPV,CCCC(N1CCCC1)C(C2=CC=C(OCO3)C3=C2)=O,C16H21NO3,4.54,276.1594235,166.96,[M+H],1,"InChI=1S/C16H21NO3/c1-2-5-13(17-8-3-4-9-17)16(18)12-6-7-14-15(10-12)20-11-19-14/h6-7,10,13H,2-5,8-9,11H2,1H3",SYHGEUNFJIGTRX-UHFFFAOYSA-N,MDPV,20111961
Medroxyprogesterone 17 acetate,O=C(C)[C@@]1([C@](CC2)(C)[C@](CC1)([H])[C@@](C[C@@H]3C)([H])[C@@]2([H])[C@](CC4)(C)C3=CC4=O)OC(C)=O,C24H34O4,11.64,387.2529896,200.27,[M+H],1,"InChI=1S/C24H34O4/c1-14-12-18-19(22(4)9-6-17(27)13-21(14)22)7-10-23(5)20(18)8-11-24(23,15(2)25)28-16(3)26/h13-14,18-20H,6-12H2,1-5H3/t14-,18+,19-,20-,22+,23-,24-/m0/s1",PSGAAPLEWMOORI-PEINSRQWSA-N,Medroxyprogesterone 17 acetate,6279
Mefenamic acid,O=C(C1=CC=CC=C1NC2=C(C)C(C)=CC=C2)O,C15H15NO2,12.54,240.1029987,161.3,[M-H],-1,"InChI=1S/C15H15NO2/c1-10-6-5-9-13(11(10)2)16-14-8-4-3-7-12(14)15(17)18/h3-9,16H,1-2H3,(H,17,18)",HYYBABOKPJLUIN-UHFFFAOYSA-N,Mefenamic acid,4044
Mefenamic acid,O=C(C1=CC=CC=C1NC2=C(C)C(C)=CC=C2)O,C15H15NO2,12.61,242.1175587,153.25,[M+H],1,"InChI=1S/C15H15NO2/c1-10-6-5-9-13(11(10)2)16-14-8-4-3-7-12(14)15(17)18/h3-9,16H,1-2H3,(H,17,18)",HYYBABOKPJLUIN-UHFFFAOYSA-N,Mefenamic acid,4044
Megestrol,O[C@@]1(C(C)=O)[C@]2(C)[C@@H](CC1)[C@H](C=C3C)[C@H](CC2)[C@](CC4)(C)C3=CC4=O,C22H30O3,15.37,377.1888948,202.21,[M+Cl],-1,"InChI=1S/C22H30O3/c1-13-11-16-17(20(3)8-5-15(24)12-19(13)20)6-9-21(4)18(16)7-10-22(21,25)14(2)23/h11-12,16-18,25H,5-10H2,1-4H3/t16-,17+,18+,20-,21+,22+/m1/s1",VXIMPSPISRVBPZ-NWUMPJBXSA-N,Megestrol,19090
Megestrol,O[C@@]1(C(C)=O)[C@]2(C)[C@@H](CC1)[C@H](C=C3C)[C@H](CC2)[C@](CC4)(C)C3=CC4=O,C22H30O3,11.48,343.2267748,198.71,[M+H],1,"InChI=1S/C22H30O3/c1-13-11-16-17(20(3)8-5-15(24)12-19(13)20)6-9-21(4)18(16)7-10-22(21,25)14(2)23/h11-12,16-18,25H,5-10H2,1-4H3/t16-,17+,18+,20-,21+,22+/m1/s1",VXIMPSPISRVBPZ-NWUMPJBXSA-N,Megestrol,19090
Melengestrol Acetate,O=C(C)[C@@]1([C@](CC2)(C)[C@](CC1=C)([H])[C@@](C=C3C)([H])[C@@]2([H])[C@](CC4)(C)C3=CC4=O)OC(C)=O,C25H32O4,11.75,397.2373395,201.51,[M+H],1,"InChI=1S/C25H32O4/c1-14-11-19-20(23(5)9-7-18(28)13-21(14)23)8-10-24(6)22(19)12-15(2)25(24,16(3)26)29-17(4)27/h11,13,19-20,22H,2,7-10,12H2,1,3-6H3/t19-,20+,22+,23-,24+,25+/m1/s1",UDKABVSQKJNZBH-DWNQPYOZSA-N,Melengestrol Acetate,250948
Mepanipyrim ,CC#CC1=NC(NC2=CC=CC=C2)=NC(C)=C1,C14H13N3,10.72,224.1182274,152.76,[M+H],1,"InChI=1S/C14H13N3/c1-3-7-13-10-11(2)15-14(17-13)16-12-8-5-4-6-9-12/h4-6,8-10H,1-2H3,(H,15,16,17)",CIFWZNRJIBNXRE-UHFFFAOYSA-N,Mepanipyrim ,86296
Mephedrone,CC1=CC=C(C(C(C)NC)=O)C=C1,C11H15NO,2.88,178.1226441,145.51,[M+H],1,"InChI=1S/C11H15NO/c1-8-4-6-10(7-5-8)11(13)9(2)12-3/h4-7,9,12H,1-3H3",YELGFTGWJGBAQU-UHFFFAOYSA-N,Mephedrone,45266826
Mephedrone,CC1=CC=C(C(C(C)NC)=O)C=C1,C11H15NO,2.88,160.1120841,133.88,[M+H-H2O],1,"InChI=1S/C11H15NO/c1-8-4-6-10(7-5-8)11(13)9(2)12-3/h4-7,9,12H,1-3H3",YELGFTGWJGBAQU-UHFFFAOYSA-N,Mephedrone,45266826
Mephosfolan,O=P(OCC)(N=C1SC(C)CS1)OCC,C8H16NO3PS2,7.1,270.0382027,153.72,[M+H],1,"InChI=1S/C8H16NO3PS2/c1-4-11-13(10,12-5-2)9-8-14-6-7(3)15-8/h7H,4-6H2,1-3H3",LTQSAUHRSCMPLD-UHFFFAOYSA-N,Mephosfolan,13707
Mephosfolan,O=P(OCC)(N=C1SC(C)CS1)OCC,C8H16NO3PS2,7.1,292.0201427,168.67,[M+Na],1,"InChI=1S/C8H16NO3PS2/c1-4-11-13(10,12-5-2)9-8-14-6-7(3)15-8/h7H,4-6H2,1-3H3",LTQSAUHRSCMPLD-UHFFFAOYSA-N,Mephosfolan,13707
Meropenem,O=C1N2[C@@]([C@@H](C)C(S[C@H]3C[C@@H](C(N(C)C)=O)NC3)=C2C(O)=O)([H])[C@@]1([H])[C@@H](C)O,C17H25N3O5S,1.96,382.1442121,192.42,[M-H],-1,"InChI=1S/C17H25N3O5S/c1-7-12-11(8(2)21)16(23)20(12)13(17(24)25)14(7)26-9-5-10(18-6-9)15(22)19(3)4/h7-12,18,21H,5-6H2,1-4H3,(H,24,25)/t7-,8-,9+,10+,11-,12-/m1/s1",DMJNNHOOLUXYBV-PQTSNVLCSA-N,Meropenem,441130
Meropenem,O=C1N2[C@@]([C@@H](C)C(S[C@H]3C[C@@H](C(N(C)C)=O)NC3)=C2C(O)=O)([H])[C@@]1([H])[C@@H](C)O,C17H25N3O5S,2.11,384.1587721,190.79,[M+H],1,"InChI=1S/C17H25N3O5S/c1-7-12-11(8(2)21)16(23)20(12)13(17(24)25)14(7)26-9-5-10(18-6-9)15(22)19(3)4/h7-12,18,21H,5-6H2,1-4H3,(H,24,25)/t7-,8-,9+,10+,11-,12-/m1/s1",DMJNNHOOLUXYBV-PQTSNVLCSA-N,Meropenem,441130
Mesotrione,O=C(CCCC1=O)C1C(C2=CC=C(S(=O)(C)=O)C=C2[N+]([O-])=O)=O,C14H13NO7S,5.55,338.0339929,177.77,[M-H],-1,"InChI=1S/C14H13NO7S/c1-23(21,22)8-5-6-9(10(7-8)15(19)20)14(18)13-11(16)3-2-4-12(13)17/h5-7,13H,2-4H2,1H3",KPUREKXXPHOJQT-UHFFFAOYSA-N,Mesotrione,175967
Mesotrione,O=C(CCCC1=O)C1C(C2=CC=C(S(=O)(C)=O)C=C2[N+]([O-])=O)=O,C14H13NO7S,5.63,340.0485529,176.25,[M+H],1,"InChI=1S/C14H13NO7S/c1-23(21,22)8-5-6-9(10(7-8)15(19)20)14(18)13-11(16)3-2-4-12(13)17/h5-7,13H,2-4H2,1H3",KPUREKXXPHOJQT-UHFFFAOYSA-N,Mesotrione,175967
Mesotrione,O=C(CCCC1=O)C1C(C2=CC=C(S(=O)(C)=O)C=C2[N+]([O-])=O)=O,C14H13NO7S,5.63,362.0304929,175,[M+Na],1,"InChI=1S/C14H13NO7S/c1-23(21,22)8-5-6-9(10(7-8)15(19)20)14(18)13-11(16)3-2-4-12(13)17/h5-7,13H,2-4H2,1H3",KPUREKXXPHOJQT-UHFFFAOYSA-N,Mesotrione,175967
Metalaxyl,O=C(COC)N(C(C)C(OC)=O)C1=C(C)C=CC=C1C,C15H21NO4,8.89,280.1543382,160.08,[M+H],1,"InChI=1S/C15H21NO4/c1-10-7-6-8-11(2)14(10)16(13(17)9-19-4)12(3)15(18)20-5/h6-8,12H,9H2,1-5H3",ZQEIXNIJLIKNTD-UHFFFAOYSA-N,Metalaxyl,42586
Metalaxyl,O=C(COC)N(C(C)C(OC)=O)C1=C(C)C=CC=C1C,C15H21NO4,8.89,302.1362782,167.88,[M+Na],1,"InChI=1S/C15H21NO4/c1-10-7-6-8-11(2)14(10)16(13(17)9-19-4)12(3)15(18)20-5/h6-8,12H,9H2,1-5H3",ZQEIXNIJLIKNTD-UHFFFAOYSA-N,Metalaxyl,42586
Metamitron,O=C(C(C1=CC=CC=C1)=NN=C2C)N2N,C10H10N4O,4.22,201.078181,141.96,[M-H],-1,"InChI=1S/C10H10N4O/c1-7-12-13-9(10(15)14(7)11)8-5-3-2-4-6-8/h2-6H,11H2,1H3",VHCNQEUWZYOAEV-UHFFFAOYSA-N,Metamitron,38854
Metamitron,O=C(C(C1=CC=CC=C1)=NN=C2C)N2N,C10H10N4O,4.23,203.092741,142.33,[M+H],1,"InChI=1S/C10H10N4O/c1-7-12-13-9(10(15)14(7)11)8-5-3-2-4-6-8/h2-6H,11H2,1H3",VHCNQEUWZYOAEV-UHFFFAOYSA-N,Metamitron,38854
Metaproterenol,OC(CNC(C)C)C1=CC(O)=CC(O)=C1,C11H17NO3,0.83,210.1135634,155.3,[M-H],-1,"InChI=1S/C11H17NO3/c1-7(2)12-6-11(15)8-3-9(13)5-10(14)4-8/h3-5,7,11-15H,6H2,1-2H3",LMOINURANNBYCM-UHFFFAOYSA-N,Metaproterenol,4086
Metaproterenol,OC(CNC(C)C)C1=CC(O)=CC(O)=C1,C11H17NO3,0.93,212.1281234,150.12,[M+H],1,"InChI=1S/C11H17NO3/c1-7(2)12-6-11(15)8-3-9(13)5-10(14)4-8/h3-5,7,11-15H,6H2,1-2H3",LMOINURANNBYCM-UHFFFAOYSA-N,Metaproterenol,4086
Metconazole,ClC1=CC=C(C=C1)CC2C(C(C)(C)CC2)(CN3N=CN=C3)O,C17H22ClN3O,12.02,354.11454,185.36,[M+Cl],-1,"InChI=1S/C17H22ClN3O/c1-16(2)8-7-14(9-13-3-5-15(18)6-4-13)17(16,22)10-21-12-19-11-20-21/h3-6,11-12,14,22H,7-10H2,1-2H3",XWPZUHJBOLQNMN-UHFFFAOYSA-N,Metconazole,86210
Metconazole,ClC1=CC=C(C=C1)CC2C(C(C)(C)CC2)(CN3N=CN=C3)O,C17H22ClN3O,12.02,364.14334,187.77,[M+HCOO],-1,"InChI=1S/C17H22ClN3O/c1-16(2)8-7-14(9-13-3-5-15(18)6-4-13)17(16,22)10-21-12-19-11-20-21/h3-6,11-12,14,22H,7-10H2,1-2H3",XWPZUHJBOLQNMN-UHFFFAOYSA-N,Metconazole,86210
Metconazole ,ClC1=CC=C(C=C1)CC2C(C(C)(C)CC2)(CN3N=CN=C3)O,C17H22N3OCl,12.04,320.15242,168.28,[M+H],1,"InChI=1S/C17H22ClN3O/c1-16(2)8-7-14(9-13-3-5-15(18)6-4-13)17(16,22)10-21-12-19-11-20-21/h3-6,11-12,14,22H,7-10H2,1-2H3",XWPZUHJBOLQNMN-UHFFFAOYSA-N,Metconazole ,86210
Methabenzthiazuron,O=C(NC)N(C)C1=NC2=C(C=CC=C2)S1,C10H11N3OS,8.41,222.0695632,142.2,[M+H],1,"InChI=1S/C10H11N3OS/c1-11-9(14)13(2)10-12-7-5-3-4-6-8(7)15-10/h3-6H,1-2H3,(H,11,14)",RRVIAQKBTUQODI-UHFFFAOYSA-N,Methabenzthiazuron,29216
Methamidophos,O=P(OC)(N)SC,C2H8NO2PS,1.21,142.0086167,119.93,[M+H],1,"InChI=1S/C2H8NO2PS/c1-5-6(3,4)7-2/h1-2H3,(H2,3,4)",NNKVPIKMPCQWCG-UHFFFAOYSA-N,Methamidophos,4096
Methamidophos,O=P(OC)(N)SC,C2H8NO2PS,1.21,163.9905567,137.5,[M+Na],1,"InChI=1S/C2H8NO2PS/c1-5-6(3,4)7-2/h1-2H3,(H2,3,4)",NNKVPIKMPCQWCG-UHFFFAOYSA-N,Methamidophos,4096
Methedrone,CNC(C)C(C1=CC=C(OC)C=C1)=O,C11H15NO2,2.34,194.1175587,145.34,[M+H],1,"InChI=1S/C11H15NO2/c1-8(12-2)11(13)9-4-6-10(14-3)7-5-9/h4-8,12H,1-3H3",MQUIHBQDYYAEMH-UHFFFAOYSA-N,Methedrone,216281
Methedrone,CNC(C)C(C1=CC=C(OC)C=C1)=O,C11H15NO2,2.34,176.1069987,136.1,[M+H-H2O],1,"InChI=1S/C11H15NO2/c1-8(12-2)11(13)9-4-6-10(14-3)7-5-9/h4-8,12H,1-3H3",MQUIHBQDYYAEMH-UHFFFAOYSA-N,Methedrone,216281
Methidathion,S=P(OC)(OC)SCN1N=C(OC)SC1=O,C6H11N2O4PS3,9.15,324.9510774,160.41,[M+Na],1,"InChI=1S/C6H11N2O4PS3/c1-10-5-7-8(6(9)16-5)4-15-13(14,11-2)12-3/h4H2,1-3H3",MEBQXILRKZHVCX-UHFFFAOYSA-N,Methidathion,13709
Methiocarb sulfoxide,O=S(C)C(C(C)=C1)=C(C)C=C1OC(N([H])C)=O,C11H15NO3S,4.39,242.0845445,156.88,[M+H],1,"InChI=1S/C11H15NO3S/c1-7-5-9(15-11(13)12-3)6-8(2)10(7)16(4)14/h5-6H,1-4H3,(H,12,13)",FNCMBMZOZQAWJA-UHFFFAOYSA-N,Methiocarb sulfoxide,17521
Methiocarb sulfoxide,O=S(C)C(C(C)=C1)=C(C)C=C1OC(N([H])C)=O,C11H15NO3S,4.39,264.0664845,154.16,[M+Na],1,"InChI=1S/C11H15NO3S/c1-7-5-9(15-11(13)12-3)6-8(2)10(7)16(4)14/h5-6H,1-4H3,(H,12,13)",FNCMBMZOZQAWJA-UHFFFAOYSA-N,Methiocarb sulfoxide,17521
Methomyl,CNC(ON=C(C)SC)=O,C5H10N2O2S,2.73,185.0355187,141.89,[M+Na],1,"InChI=1S/C5H10N2O2S/c1-4(10-3)7-9-5(8)6-2/h1-3H3,(H,6,8)",UHXUZOCRWCRNSJ-UHFFFAOYSA-N,Methomyl,4109
Methoxetamine,O=C1C(C2=CC=CC(OC)=C2)(NCC)CCCC1,C15H21NO2,4.24,248.1645089,159.48,[M+H],1,"InChI=1S/C15H21NO2/c1-3-16-15(10-5-4-9-14(15)17)12-7-6-8-13(11-12)18-2/h6-8,11,16H,3-5,9-10H2,1-2H3",LPKTWLVEGBNOOX-UHFFFAOYSA-N,Methoxetamine,52911279
Methylone,O=C(C(C)NC)C1=CC2=C(C=C1)OCO2,C11H13NO3,2.06,208.0968233,147.08,[M+H],1,"InChI=1S/C11H13NO3/c1-7(12-2)11(13)8-3-4-9-10(5-8)15-6-14-9/h3-5,7,12H,6H2,1-2H3",VKEQBMCRQDSRET-UHFFFAOYSA-N,Methylone,45789647
Methylone,O=C(C(C)NC)C1=CC2=C(C=C1)OCO2,C11H13NO3,2.06,190.0862633,136.16,[M+H-H2O],1,"InChI=1S/C11H13NO3/c1-7(12-2)11(13)8-3-4-9-10(5-8)15-6-14-9/h3-5,7,12H,6H2,1-2H3",VKEQBMCRQDSRET-UHFFFAOYSA-N,Methylone,45789647
Methylparaben,COC(C1=CC=C(O)C=C1)=O,C8H8O3,5.43,151.0400641,128.43,[M-H],-1,"InChI=1S/C8H8O3/c1-11-8(10)6-2-4-7(9)5-3-6/h2-5,9H,1H3",LXCFILQKKLGQFO-UHFFFAOYSA-N,Methylparaben,7456
Methylparaben,COC(C1=CC=C(O)C=C1)=O,C8H8O3,5.43,153.0546241,126.1,[M+H],1,"InChI=1S/C8H8O3/c1-11-8(10)6-2-4-7(9)5-3-6/h2-5,9H,1H3",LXCFILQKKLGQFO-UHFFFAOYSA-N,Methylparaben,7456
Methylprednisolone,O[C@@]1(C(CO)=O)[C@](C2)(C)[C@@H](CC1)[C@H](C[C@@H]3C)[C@H]([C@H]2O)[C@](C=C4)(C)C3=CC4=O,C22H30O5,9.2,357.2060441,189.92,[M+H-H2O],1,"InChI=1S/C22H30O5/c1-12-8-14-15-5-7-22(27,18(26)11-23)21(15,3)10-17(25)19(14)20(2)6-4-13(24)9-16(12)20/h4,6,9,12,14-15,17,19,23,25,27H,5,7-8,10-11H2,1-3H3/t12-,14-,15-,17-,19+,20-,21-,22-/m0/s1",VHRSUDSXCMQTMA-PJHHCJLFSA-N,Methylprednisolone,6741
Metoclopramide,O=C(C1=CC(Cl)=C(C=C1OC)N)NCCN(CC)CC,C14H22ClN3O2,3.28,300.1473347,173.07,[M+H],1,"InChI=1S/C14H22ClN3O2/c1-4-18(5-2)7-6-17-14(19)10-8-11(15)12(16)9-13(10)20-3/h8-9H,4-7,16H2,1-3H3,(H,17,19)",TTWJBBZEZQICBI-UHFFFAOYSA-N,Metoclopramide,4168
Metolachlor,COCC(C)N(C(CCl)=O)C1=C(CC)C=CC=C1C,C15H22ClNO2,11.15,284.1411867,159.39,[M+H],1,"InChI=1S/C15H22ClNO2/c1-5-13-8-6-7-11(2)15(13)17(14(18)9-16)12(3)10-19-4/h6-8,12H,5,9-10H2,1-4H3",WVQBLGZPHOPPFO-UHFFFAOYSA-N,Metolachlor,4169
Metolachlor,COCC(C)N(C(CCl)=O)C1=C(CC)C=CC=C1C,C15H22ClNO2,11.15,306.1231267,171.44,[M+Na],1,"InChI=1S/C15H22ClNO2/c1-5-13-8-6-7-11(2)15(13)17(14(18)9-16)12(3)10-19-4/h6-8,12H,5,9-10H2,1-4H3",WVQBLGZPHOPPFO-UHFFFAOYSA-N,Metolachlor,4169
Metoprolol,OC(COC1=CC=C(C=C1)CCOC)CNC(C)C,C15H25NO3,4.19,268.1907237,172.54,[M+H],1,"InChI=1S/C15H25NO3/c1-12(2)16-10-14(17)11-19-15-6-4-13(5-7-15)8-9-18-3/h4-7,12,14,16-17H,8-11H2,1-3H3",IUBSYMUCCVWXPE-UHFFFAOYSA-N,Metoprolol,4171
Metrafenone,O=C(C1=C(OC)C=CC(Br)=C1C)C(C(OC)=C2OC)=C(C)C=C2OC,C19H21BrO5,12.29,409.064517,182.98,[M+H],1,"InChI=1S/C19H21BrO5/c1-10-9-14(23-4)18(24-5)19(25-6)15(10)17(21)16-11(2)12(20)7-8-13(16)22-3/h7-9H,1-6H3",AMSPWOYQQAWRRM-UHFFFAOYSA-N,Metrafenone,6451057
Metrafenone,O=C(C1=C(OC)C=CC(Br)=C1C)C(C(OC)=C2OC)=C(C)C=C2OC,C19H21BrO5,12.29,431.046457,195.17,[M+Na],1,"InChI=1S/C19H21BrO5/c1-10-9-14(23-4)18(24-5)19(25-6)15(10)17(21)16-11(2)12(20)7-8-13(16)22-3/h7-9H,1-6H3",AMSPWOYQQAWRRM-UHFFFAOYSA-N,Metrafenone,6451057
Metribuzin,O=C(C(C(C)(C)C)=NN=C1SC)N1N,C8H14N4OS,6.88,213.0815523,150.94,[M-H],-1,"InChI=1S/C8H14N4OS/c1-8(2,3)5-6(13)12(9)7(14-4)11-10-5/h9H2,1-4H3",FOXFZRUHNHCZPX-UHFFFAOYSA-N,Metribuzin,30479
Metribuzin,O=C(C(C(C)(C)C)=NN=C1SC)N1N,C8H14N4OS,6.91,215.0961123,148,[M+H],1,"InChI=1S/C8H14N4OS/c1-8(2,3)5-6(13)12(9)7(14-4)11-10-5/h9H2,1-4H3",FOXFZRUHNHCZPX-UHFFFAOYSA-N,Metribuzin,30479
Metronidazole,O=[N+]([O-])C(N1CCO)=CN=C1C,C6H9N3O3,1.76,172.0716712,131.04,[M+H],1,"InChI=1S/C6H9N3O3/c1-5-7-4-6(9(11)12)8(5)2-3-10/h4,10H,2-3H2,1H3",VAOCPAMSLUNLGC-UHFFFAOYSA-N,Metronidazole,4173
Mevinphos isomer 1,O=P(OC)(OC)O/C(C)=C/C(OC)=O,C7H13O6P,4.63,225.0522551,136.8,[M+H],1,"InChI=1S/C7H13O6P/c1-6(5-7(8)10-2)13-14(9,11-3)12-4/h5H,1-4H3/b6-5+",GEPDYQSQVLXLEU-AATRIKPKSA-N,Mevinphos isomer 1,5355863
Mevinphos isomer 1,O=P(OC)(OC)O/C(C)=C/C(OC)=O,C7H13O6P,4.63,247.0341951,146.02,[M+Na],1,"InChI=1S/C7H13O6P/c1-6(5-7(8)10-2)13-14(9,11-3)12-4/h5H,1-4H3/b6-5+",GEPDYQSQVLXLEU-AATRIKPKSA-N,Mevinphos isomer 1,5355863
Mevinphos isomer 2,O=P(OC)(OC)O/C(C)=C\C(OC)=O,C7H13O6P,5.59,225.0522551,135.78,[M+H],1,"InChI=1S/C7H13O6P/c1-6(5-7(8)10-2)13-14(9,11-3)12-4/h5H,1-4H3/b6-5-",GEPDYQSQVLXLEU-WAYWQWQTSA-N,Mevinphos isomer 2,6433175
Mevinphos isomer 2,O=P(OC)(OC)O/C(C)=C\C(OC)=O,C7H13O6P,5.59,247.0341951,146.14,[M+Na],1,"InChI=1S/C7H13O6P/c1-6(5-7(8)10-2)13-14(9,11-3)12-4/h5H,1-4H3/b6-5-",GEPDYQSQVLXLEU-WAYWQWQTSA-N,Mevinphos isomer 2,6433175
Molinate ,O=C(SCC)N1CCCCCC1,C9H17NOS,10.4,188.1103653,138.42,[M+H],1,"InChI=1S/C9H17NOS/c1-2-12-9(11)10-7-5-3-4-6-8-10/h2-8H2,1H3",DEDOPGXGGQYYMW-UHFFFAOYSA-N,Molinate ,16653
Monensin,O[C@@]1(CO)O[C@]([C@@H](C)C[C@H]1C)([H])[C@]2([H])O[C@@]([C@@H](C)C2)([H])[C@@](CC3)(CC)O[C@@]3([H])[C@@](CC4)(C)O[C@]4(C5)O[C@@]([C@@H](C)[C@H]([C@H](C)C(O)=O)OC)([H])[C@H](C)[C@H]5O,C36H62O11,14.89,669.4219328,247.59,[M-H],-1,"InChI=1S/C36H62O11/c1-10-34(31-20(3)16-26(43-31)28-19(2)15-21(4)36(41,18-37)46-28)12-11-27(44-34)33(8)13-14-35(47-33)17-25(38)22(5)30(45-35)23(6)29(42-9)24(7)32(39)40/h19-31,37-38,41H,10-18H2,1-9H3,(H,39,40)/t19-,20-,21+,22+,23-,24-,25-,26+,27+,28-,29+,30-,31+,33-,34-,35+,36-/m0/s1",GAOZTHIDHYLHMS-KEOBGNEYSA-N,Monensin,441145
Monensin,O[C@@]1(CO)O[C@]([C@@H](C)C[C@H]1C)([H])[C@]2([H])O[C@@]([C@@H](C)C2)([H])[C@@](CC3)(CC)O[C@@]3([H])[C@@](CC4)(C)O[C@]4(C5)O[C@@]([C@@H](C)[C@H]([C@H](C)C(O)=O)OC)([H])[C@H](C)[C@H]5O,C36H62O11,15.01,693.4184328,245.9,[M+Na],1,"InChI=1S/C36H62O11/c1-10-34(31-20(3)16-26(43-31)28-19(2)15-21(4)36(41,18-37)46-28)12-11-27(44-34)33(8)13-14-35(47-33)17-25(38)22(5)30(45-35)23(6)29(42-9)24(7)32(39)40/h19-31,37-38,41H,10-18H2,1-9H3,(H,39,40)/t19-,20-,21+,22+,23-,24-,25-,26+,27+,28-,29+,30-,31+,33-,34-,35+,36-/m0/s1",GAOZTHIDHYLHMS-KEOBGNEYSA-N,Monensin,441145
Monoacetyl dapsone,O=S(C(C=C1)=CC=C1N([H])C(C)=O)(C(C=C2)=CC=C2N([H])[H])=O,C14H14N2O3S,4.08,289.0652335,171.85,[M-H],-1,"InChI=1S/C14H14N2O3S/c1-10(17)16-12-4-8-14(9-5-12)20(18,19)13-6-2-11(15)3-7-13/h2-9H,15H2,1H3,(H,16,17)",WDOCBIHNYYQINH-UHFFFAOYSA-N,Monoacetyl dapsone,11257
Monoacetyl dapsone,O=S(C(C=C1)=CC=C1N([H])C(C)=O)(C(C=C2)=CC=C2N([H])[H])=O,C14H14N2O3S,4.08,291.0797935,170.42,[M+H],1,"InChI=1S/C14H14N2O3S/c1-10(17)16-12-4-8-14(9-5-12)20(18,19)13-6-2-11(15)3-7-13/h2-9H,15H2,1H3,(H,16,17)",WDOCBIHNYYQINH-UHFFFAOYSA-N,Monoacetyl dapsone,11257
Monoacetyl dapsone,O=S(C(C=C1)=CC=C1N([H])C(C)=O)(C(C=C2)=CC=C2N([H])[H])=O,C14H14N2O3S,4.08,313.0617335,182.73,[M+Na],1,"InChI=1S/C14H14N2O3S/c1-10(17)16-12-4-8-14(9-5-12)20(18,19)13-6-2-11(15)3-7-13/h2-9H,15H2,1H3,(H,16,17)",WDOCBIHNYYQINH-UHFFFAOYSA-N,Monoacetyl dapsone,11257
Monocrotophos,O=P(OC)(OC)O/C(C)=C/C(NC)=O,C7H14NO5P,3.32,224.0682396,145.86,[M+H],1,"InChI=1S/C7H14NO5P/c1-6(5-7(9)8-2)13-14(10,11-3)12-4/h5H,1-4H3,(H,8,9)/b6-5+",KRTSDMXIXPKRQR-AATRIKPKSA-N,Monocrotophos,5371562
Monocrotophos,O=P(OC)(OC)O/C(C)=C/C(NC)=O,C7H14NO5P,3.32,246.0501796,146.34,[M+Na],1,"InChI=1S/C7H14NO5P/c1-6(5-7(9)8-2)13-14(10,11-3)12-4/h5H,1-4H3,(H,8,9)/b6-5+",KRTSDMXIXPKRQR-AATRIKPKSA-N,Monocrotophos,5371562
Morfina 3beta- D-Glucuronide,O[C@@H]1[C@@H]2OC3=C(C4=CC=C3O[C@@H]([C@@H]([C@H]5O)O)O[C@H](C(O)=O)[C@H]5O)[C@]26[C@](C=C1)([H])[C@@H](C4)N(C)CC6,C23H27NO9,0.72,462.1758615,205.08,[M+H],1,"InChI=1S/C23H27NO9/c1-24-7-6-23-10-3-4-12(25)20(23)32-18-13(5-2-9(14(18)23)8-11(10)24)31-22-17(28)15(26)16(27)19(33-22)21(29)30/h2-5,10-12,15-17,19-20,22,25-28H,6-8H2,1H3,(H,29,30)/t10-,11+,12-,15-,16-,17+,19-,20-,22+,23-/m0/s1",WAEXKFONHRHFBZ-ZXDZBKESSA-N,Morfina 3beta- D-Glucuronide,5484731
Morfina 6beta- D-Glucuronide,OC1=CC=C2C3=C1O[C@@H]([C@H]4O[C@@H]([C@@H]([C@H]5O)O)O[C@H](C(O)=O)[C@H]5O)[C@@]36[C@](C=C4)([H])[C@@H](C2)N(C)CC6,C26H27NO9,0.91,462.1758615,206.67,[M+H],1,"InChI=1S/C23H27NO9/c1-24-7-6-23-10-3-5-13(31-22-17(28)15(26)16(27)19(33-22)21(29)30)20(23)32-18-12(25)4-2-9(14(18)23)8-11(10)24/h2-5,10-11,13,15-17,19-20,22,25-28H,6-8H2,1H3,(H,29,30)/t10-,11+,13-,15-,16-,17+,19-,20-,22+,23-/m0/s1",GNJCUHZOSOYIEC-GAROZEBRSA-N,Morfina 6beta- D-Glucuronide,5360621
Morphine,O[C@@H]1[C@@H]2OC3=C(C4=CC=C3O)[C@]25[C@](C=C1)([H])[C@@H](C4)N(C)CC5,C17H19NO3,0.96,286.1437735,164.25,[M+H],1,"InChI=1S/C17H19NO3/c1-18-7-6-17-10-3-5-13(20)16(17)21-15-12(19)4-2-9(14(15)17)8-11(10)18/h2-5,10-11,13,16,19-20H,6-8H2,1H3/t10-,11+,13-,16-,17-/m0/s1",BQJCRHHNABKAKU-KBQPJGBKSA-N,Morphine,5288826
Moxidectin,O[C@]1([C@](C=C2C)([H])C(O[C@](C3)([H])C4)=O)[C@]([C@@H]2O)([H])OC/C1=C\C=C\[C@H](C)C/C(C)=C/C[C@@]3([H])O[C@]4(C/5)O[C@H](/C(C)=C/C(C)C)[C@@H](C)C5=N\OC,C37H53NO8,15.33,622.3738377,261.47,[M+H-H2O],1,"InChI=1S/C37H53NO8/c1-21(2)14-25(6)33-26(7)31(38-42-8)19-36(46-33)18-29-17-28(45-36)13-12-23(4)15-22(3)10-9-11-27-20-43-34-32(39)24(5)16-30(35(40)44-29)37(27,34)41/h9-12,14,16,21-22,26,28-30,32-34,39,41H,13,15,17-20H2,1-8H3/b10-9+,23-12+,25-14+,27-11+,38-31+/t22-,26-,28+,29-,30-,32+,33+,34+,36-,37+/m0/s1",YZBLFMPOMVTDJY-LSGXYNIPSA-N,Moxidectin,9832912
Moxidectin,O[C@]1([C@](C=C2C)([H])C(O[C@](C3)([H])C4)=O)[C@]([C@@H]2O)([H])OC/C1=C\C=C\[C@H](C)C/C(C)=C/C[C@@]3([H])O[C@]4(C/5)O[C@H](/C(C)=C/C(C)C)[C@@H](C)C5=N\OC,C37H53NO8,15.33,662.3663377,260.16,[M+Na],1,"InChI=1S/C37H53NO8/c1-21(2)14-25(6)33-26(7)31(38-42-8)19-36(46-33)18-29-17-28(45-36)13-12-23(4)15-22(3)10-9-11-27-20-43-34-32(39)24(5)16-30(35(40)44-29)37(27,34)41/h9-12,14,16,21-22,26,28-30,32-34,39,41H,13,15,17-20H2,1-8H3/b10-9+,23-12+,25-14+,27-11+,38-31+/t22-,26-,28+,29-,30-,32+,33+,34+,36-,37+/m0/s1",YZBLFMPOMVTDJY-LSGXYNIPSA-N,Moxidectin,9832912
Moxifloxacin,O=C(O)C(C1=O)=CN(C2=C1C=C(C(N3C[C@]([H])(CCCN4)[C@@]4([H])C3)=C2OC)F)C5CC5,C21H24FN3O4,15.17,400.1678044,202.63,[M-H],-1,"InChI=1S/C21H24FN3O4/c1-29-20-17-13(19(26)14(21(27)28)9-25(17)12-4-5-12)7-15(22)18(20)24-8-11-3-2-6-23-16(11)10-24/h7,9,11-12,16,23H,2-6,8,10H2,1H3,(H,27,28)/t11-,16+/m0/s1",FABPRXSRWADJSP-MEDUHNTESA-N,Moxifloxacin,152946
Moxifloxacin,O=C(O)C(C1=O)=CN(C2=C1C=C(C(N3C[C@]([H])(CCCN4)[C@@]4([H])C3)=C2OC)F)C5CC5,C21H24FN3O4,4.91,402.1823644,198.01,[M+H],1,"InChI=1S/C21H24FN3O4/c1-29-20-17-13(19(26)14(21(27)28)9-25(17)12-4-5-12)7-15(22)18(20)24-8-11-3-2-6-23-16(11)10-24/h7,9,11-12,16,23H,2-6,8,10H2,1H3,(H,27,28)/t11-,16+/m0/s1",FABPRXSRWADJSP-MEDUHNTESA-N,Moxifloxacin,152946
Moxifloxacin,O=C(O)C(C1=O)=CN(C2=C1C=C(C(N3C[C@]([H])(CCCN4)[C@@]4([H])C3)=C2OC)F)C5CC5,C21H24FN3O4,4.91,424.1643044,208.98,[M+Na],1,"InChI=1S/C21H24FN3O4/c1-29-20-17-13(19(26)14(21(27)28)9-25(17)12-4-5-12)7-15(22)18(20)24-8-11-3-2-6-23-16(11)10-24/h7,9,11-12,16,23H,2-6,8,10H2,1H3,(H,27,28)/t11-,16+/m0/s1",FABPRXSRWADJSP-MEDUHNTESA-N,Moxifloxacin,152946
MPHP (4'-Methyl-alpha-pyrrolidinohexiophenone),CC1=CC=C(C(C(CCCC)N2CCCC2)=O)C=C1,C17H25NO,6.89,260.2008944,167.74,[M+H],1,"InChI=1S/C17H25NO/c1-3-4-7-16(18-12-5-6-13-18)17(19)15-10-8-14(2)9-11-15/h8-11,16H,3-7,12-13H2,1-2H3",YOSQVMGMENUCDX-UHFFFAOYSA-N,MPHP (4'-Methyl-alpha-pyrrolidinohexiophenone),6423085
Myclobutanil,ClC1=CC=C(C=C1)C(CCCC)(C#N)CN2N=CN=C2,C15H17N4Cl,10.52,289.1214543,173.77,[M+H],1,"InChI=1S/C15H17ClN4/c1-2-3-8-15(9-17,10-20-12-18-11-19-20)13-4-6-14(16)7-5-13/h4-7,11-12H,2-3,8,10H2,1H3",HZJKXKUJVSEEFU-UHFFFAOYSA-N,Myclobutanil,6336
N-Desmethyl Clarithromycin,O[C@H]1[C@@H](O[C@H](C)C[C@@H]1N([H])C)O[C@@H]([C@](C[C@@H](C)C([C@H](C)[C@H]2O)=O)(C)OC)[C@@H](C)[C@@H]([C@@H](C)C(O[C@H](CC)[C@@]2(C)O)=O)O[C@@H](C3)O[C@@H](C)[C@@H]([C@]3(C)OC)O,C37H67NO13,8.12,734.4685212,263.18,[M+H],1,"InChI=1S/C37H67NO13/c1-14-25-37(10,44)30(41)20(4)27(39)18(2)16-36(9,46-13)32(51-34-28(40)24(38-11)15-19(3)47-34)21(5)29(22(6)33(43)49-25)50-26-17-35(8,45-12)31(42)23(7)48-26/h18-26,28-32,34,38,40-42,44H,14-17H2,1-13H3/t18-,19-,20+,21+,22-,23+,24+,25-,26+,28-,29+,30-,31+,32-,34+,35-,36-,37-/m1/s1",CIJTVUQEURKBDL-RWJQBGPGSA-N,N-Desmethyl Clarithromycin,11072636
N-ethyl-Hexedrone,CCCCC(NCC)C(C1=CC=CC=C1)=O,C14H21NO,5.59,220.1695943,155.83,[M+H],1,"InChI=1S/C14H21NO/c1-3-5-11-13(15-4-2)14(16)12-9-7-6-8-10-12/h6-10,13,15H,3-5,11H2,1-2H3",CWNKMHIETKEBCA-UHFFFAOYSA-N,N-ethyl-Hexedrone,134822125
N-ethyl-Pentedrone,O=C(C(CCC)NCC)C1=CC=CC=C1,C13H19NO,4.27,206.1539442,150.11,[M+H],1,"InChI=1S/C13H19NO/c1-3-8-12(14-4-2)13(15)11-9-6-5-7-10-11/h5-7,9-10,12,14H,3-4,8H2,1-2H3",QQAHEGDXEXIQPR-UHFFFAOYSA-N,N-ethyl-Pentedrone,205593
N-ethylcathinone / Ethcathinone,O=C(C1=CC=CC=C1)C(C)N([H])CC,C11H15NO,2.22,178.1226441,140.81,[M+H],1,"InChI=1S/C11H15NO/c1-3-12-9(2)11(13)10-7-5-4-6-8-10/h4-9,12H,3H2,1-2H3",LYMHIBZGTAPASQ-UHFFFAOYSA-N,N-ethylcathinone / Ethcathinone,458519
N-ethylcathinone / Ethcathinone,O=C(C1=CC=CC=C1)C(C)N([H])CC,C11H15NO,2.22,160.1120841,133.18,[M+H-H2O],1,"InChI=1S/C11H15NO/c1-3-12-9(2)11(13)10-7-5-4-6-8-10/h4-9,12H,3H2,1-2H3",LYMHIBZGTAPASQ-UHFFFAOYSA-N,N-ethylcathinone / Ethcathinone,458519
"N,N-Dimethylcathinone  ",O=C(C1=CC=CC=C1)C(C)N(C)C,C11H15NO,1.94,178.1226441,139.15,[M+H],1,"InChI=1S/C11H15NO/c1-9(12(2)3)11(13)10-7-5-4-6-8-10/h4-9H,1-3H3",KBHMHROOFHVLBA-UHFFFAOYSA-N,"N,N-Dimethylcathinone  ",71872
N4-Acetylsulfamethoxazole,O=S(C1=CC=C(C=C1)NC(C)=O)(NC2=NOC(C)=C2)=O,C12H13N3O4S,5.02,296.0699571,167.81,[M+H],1,"InChI=1S/C12H13N3O4S/c1-8-7-12(14-19-8)15-20(17,18)11-5-3-10(4-6-11)13-9(2)16/h3-7H,1-2H3,(H,13,16)(H,14,15)",GXPIUNZCALHVBA-UHFFFAOYSA-N,N4-Acetylsulfamethoxazole,65280
Nalidixic Acid,O=C1C2=C(N=C(C)C=C2)N(C=C1C(O)=O)CC,C12H12N2O3,7.09,233.0920723,145.76,[M+H],1,"InChI=1S/C12H12N2O3/c1-3-14-6-9(12(16)17)10(15)8-5-4-7(2)13-11(8)14/h4-6H,3H2,1-2H3,(H,16,17)",MHWLWQUZZRMNGJ-UHFFFAOYSA-N,Nalidixic Acid,4421
Nalidixic Acid,O=C1C2=C(N=C(C)C=C2)N(C=C1C(O)=O)CC,C12H12N2O3,7.09,255.0740123,159.57,[M+Na],1,"InChI=1S/C12H12N2O3/c1-3-14-6-9(12(16)17)10(15)8-5-4-7(2)13-11(8)14/h4-6H,3H2,1-2H3,(H,16,17)",MHWLWQUZZRMNGJ-UHFFFAOYSA-N,Nalidixic Acid,4421
"Nandrolone, alpha",O[C@@H]1[C@]2(C)[C@@H](CC1)[C@H](CC3)[C@H](CC2)[C@@H](CC4)C3=CC4=O,C18H26O2,10.45,275.2005601,168.39,[M+H],1,"InChI=1S/C18H26O2/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h10,13-17,20H,2-9H2,1H3/t13-,14+,15+,16-,17-,18-/m0/s1",NPAGDVCDWIYMMC-IZPLOLCNSA-N,"Nandrolone, alpha",9904
"Nandrolone, alpha",O[C@@H]1[C@]2(C)[C@@H](CC1)[C@H](CC3)[C@H](CC2)[C@@H](CC4)C3=CC4=O,C18H26O2,10.45,297.1825001,197.04,[M+Na],1,"InChI=1S/C18H26O2/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h10,13-17,20H,2-9H2,1H3/t13-,14+,15+,16-,17-,18-/m0/s1",NPAGDVCDWIYMMC-IZPLOLCNSA-N,"Nandrolone, alpha",9904
"Nandrolone, beta",O[C@@H]1[C@]2(C)[C@@H](CC1)[C@H](CC3)[C@H](CC2)[C@@H](CC4)C3=CC4=O,C18H26O2,9.74,275.2005601,168.84,[M+H],1,"InChI=1S/C18H26O2/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h10,13-17,20H,2-9H2,1H3/t13-,14+,15+,16-,17-,18-/m0/s1",NPAGDVCDWIYMMC-IZPLOLCNSA-N,"Nandrolone, beta",9904
Naphyrone,O=C(C1=CC2=CC=CC=C2C=C1)C(CCC)N3CCCC3,C19H23NO,7.3,282.1852444,173.49,[M+H],1,"InChI=1S/C19H23NO/c1-2-7-18(20-12-5-6-13-20)19(21)17-11-10-15-8-3-4-9-16(15)14-17/h3-4,8-11,14,18H,2,5-7,12-13H2,1H3",DTNUPBSOODGRKW-UHFFFAOYSA-N,Naphyrone,11243002
Naproxen,O=C([C@@H](C)C1=CC(C=C2)=C(C=C1)C=C2OC)O,C14H14O3,9.75,231.1015743,151.1,[M+H],1,"InChI=1S/C14H14O3/c1-9(14(15)16)10-3-4-12-8-13(17-2)6-5-11(12)7-10/h3-9H,1-2H3,(H,15,16)/t9-/m0/s1",CMWTZPSULFXXJA-VIFPVBQESA-N,Naproxen,156391
Naproxen,O=C([C@@H](C)C1=CC(C=C2)=C(C=C1)C=C2OC)O,C14H14O3,9.75,253.0835143,158.86,[M+Na],1,"InChI=1S/C14H14O3/c1-9(14(15)16)10-3-4-12-8-13(17-2)6-5-11(12)7-10/h3-9H,1-2H3,(H,15,16)/t9-/m0/s1",CMWTZPSULFXXJA-VIFPVBQESA-N,Naproxen,156391
Narasin,O[C@H]1[C@](O[C@]2(C)[C@](CC3)([H])O[C@@H](C)[C@]3(CC)O)(CC2)O[C@]4(C=C1)O[C@@]([C@@H](CC)C([C@@H](C)[C@H]([C@H](C)[C@]5([H])O[C@]([C@@H](CC)C(O)=O)([H])[C@@H](C)C[C@@H]5C)O)=O)([H])[C@@H](C)C[C@H]4C,C43H72O11,16.12,763.5001831,270.1,[M-H],-1,"InChI=1S/C43H72O11/c1-12-30(35(46)27(8)34(45)28(9)36-23(4)21-24(5)37(51-36)31(13-2)39(47)48)38-25(6)22-26(7)42(52-38)18-15-32(44)43(54-42)20-19-40(11,53-43)33-16-17-41(49,14-3)29(10)50-33/h15,18,23-34,36-38,44-45,49H,12-14,16-17,19-22H2,1-11H3,(H,47,48)/t23-,24-,25-,26+,27-,28-,29-,30-,31+,32+,33+,34+,36+,37+,38-,40-,41+,42-,43-/m0/s1",VHKXXVVRRDYCIK-CWCPJSEDSA-N,Narasin,65452
Narasin,O[C@H]1[C@](O[C@]2(C)[C@](CC3)([H])O[C@@H](C)[C@]3(CC)O)(CC2)O[C@]4(C=C1)O[C@@]([C@@H](CC)C([C@@H](C)[C@H]([C@H](C)[C@]5([H])O[C@]([C@@H](CC)C(O)=O)([H])[C@@H](C)C[C@@H]5C)O)=O)([H])[C@@H](C)C[C@H]4C,C43H72O11,16.41,787.4966831,270.18,[M+Na],1,"InChI=1S/C43H72O11/c1-12-30(35(46)27(8)34(45)28(9)36-23(4)21-24(5)37(51-36)31(13-2)39(47)48)38-25(6)22-26(7)42(52-38)18-15-32(44)43(54-42)20-19-40(11,53-43)33-16-17-41(49,14-3)29(10)50-33/h15,18,23-34,36-38,44-45,49H,12-14,16-17,19-22H2,1-11H3,(H,47,48)/t23-,24-,25-,26+,27-,28-,29-,30-,31+,32+,33+,34+,36+,37+,38-,40-,41+,42-,43-/m0/s1",VHKXXVVRRDYCIK-CWCPJSEDSA-N,Narasin,65452
Neosolaniol,CC([C@@H](O)C[C@@]1([C@@]([C@]23CO2)(C)[C@H](OC(C)=O)[C@@H](O)[C@]34[H])COC(C)=O)=C[C@]1(O4)[H],C19H26O8,4.07,427.1609678,196.92,[M+HCOO],-1,"InChI=1S/C19H26O8/c1-9-5-13-18(6-12(9)22,7-24-10(2)20)17(4)15(26-11(3)21)14(23)16(27-13)19(17)8-25-19/h5,12-16,22-23H,6-8H2,1-4H3/t12-,13+,14+,15+,16+,17+,18+,19+/m0/s1",TVZHDVCTOCZDNE-LVJXWLTRSA-N,Neosolaniol,13818790
Neosolaniol,CC([C@@H](O)C[C@@]1([C@@]([C@]23CO2)(C)[C@H](OC(C)=O)[C@@H](O)[C@]34[H])COC(C)=O)=C[C@]1(O4)[H],C19H26O8,4.03,405.1519878,183.93,[M+Na],1,"InChI=1S/C19H26O8/c1-9-5-13-18(6-12(9)22,7-24-10(2)20)17(4)15(26-11(3)21)14(23)16(27-13)19(17)8-25-19/h5,12-16,22-23H,6-8H2,1-4H3/t12-,13+,14+,15+,16+,17+,18+,19+/m0/s1",TVZHDVCTOCZDNE-LVJXWLTRSA-N,Neosolaniol,13818790
Nitrofurazone,c1cc(oc1/C=N/NC(=O)N)[N+](=O)[O-],C6H6N4O4,2.83,197.0316247,136.91,[M-H],-1,"InChI=1S/C6H6N4O4/c7-6(11)9-8-3-4-1-2-5(14-4)10(12)13/h1-3H,(H3,7,9,11)/b8-3+",IAIWVQXQOWNYOU-FPYGCLRLSA-N,Nitrofurazone,5447130
Nivalenol,CC1=C[C@@H]2[C@]([C@@H](C1=O)O)([C@]3([C@@H]([C@H]([C@H]([C@]34CO4)O2)O)O)C)CO,C15H20O7,1.72,347.090303,171.32,[M+Cl],-1,"InChI=1S/C15H20O7/c1-6-3-7-14(4-16,11(20)8(6)17)13(2)10(19)9(18)12(22-7)15(13)5-21-15/h3,7,9-12,16,18-20H,4-5H2,1-2H3/t7-,9-,10-,11-,12-,13-,14-,15-/m1/s1",UKOTXHQERFPCBU-YQPARWETSA-N,Nivalenol,440908
Nivalenol,CC1=C[C@@H]2[C@]([C@@H](C1=O)O)([C@]3([C@@H]([C@H]([C@H]([C@]34CO4)O2)O)O)C)CO,C15H20O7,1.72,357.119103,172.28,[M+HCOO],-1,"InChI=1S/C15H20O7/c1-6-3-7-14(4-16,11(20)8(6)17)13(2)10(19)9(18)12(22-7)15(13)5-21-15/h3,7,9-12,16,18-20H,4-5H2,1-2H3/t7-,9-,10-,11-,12-,13-,14-,15-/m1/s1",UKOTXHQERFPCBU-YQPARWETSA-N,Nivalenol,440908
Nivalenol,CC1=C[C@@H]2[C@]([C@@H](C1=O)O)([C@]3([C@@H]([C@H]([C@H]([C@]34CO4)O2)O)O)C)CO,C15H20O7,1.68,335.110123,175.07,[M+Na],1,"InChI=1S/C15H20O7/c1-6-3-7-14(4-16,11(20)8(6)17)13(2)10(19)9(18)12(22-7)15(13)5-21-15/h3,7,9-12,16,18-20H,4-5H2,1-2H3/t7-,9-,10-,11-,12-,13-,14-,15-/m1/s1",UKOTXHQERFPCBU-YQPARWETSA-N,Nivalenol,440908
Nodularin,O=C([C@@H](C)[C@@](/C=C/C(C)=C/[C@H](C)[C@H](CC1=CC=CC=C1)OC)([H])NC([C@H](CCCNC(N)=N)NC([C@@H](C)[C@H](C(O)=O)NC/2=O)=O)=O)N[C@@H](C(O)=O)CCC(N(C)C2=C/C)=O,C41H60N8O10,8.98,825.4505202,300.71,[M+H],1,"InChI=1S/C41H60N8O10/c1-8-31-38(54)48-34(40(57)58)26(5)36(52)46-29(15-12-20-44-41(42)43)37(53)45-28(25(4)35(51)47-30(39(55)56)18-19-33(50)49(31)6)17-16-23(2)21-24(3)32(59-7)22-27-13-10-9-11-14-27/h8-11,13-14,16-17,21,24-26,28-30,32,34H,12,15,18-20,22H2,1-7H3,(H,45,53)(H,46,52)(H,47,51)(H,48,54)(H,55,56)(H,57,58)(H4,42,43,44)/b17-16+,23-21+,31-8-/t24-,25-,26-,28-,29-,30+,32-,34+/m0/s1",IXBQSRWSVIBXNC-HSKGSTCASA-N,Nodularin,14217092
Norfloxacin protomer I,FC(C(N1CCNCC1)=C2)=CC3=C2N(CC)C=C(C(O)=O)C3=O,C16H18FN3O3,3.12,320.1404996,171.88,[M+H],1,"InChI=1S/C16H18FN3O3/c1-2-19-9-11(16(22)23)15(21)10-7-12(17)14(8-13(10)19)20-5-3-18-4-6-20/h7-9,18H,2-6H2,1H3,(H,22,23)",OGJPXUAPXNRGGI-UHFFFAOYSA-N,Norfloxacin protomer I,4539
Norfloxacin protomer II,FC(C(N1CCNCC1)=C2)=CC3=C2N(CC)C=C(C(O)=O)C3=O,C16H18FN3O3,3.12,320.1404996,187.6,[M+H],1,"InChI=1S/C16H18FN3O3/c1-2-19-9-11(16(22)23)15(21)10-7-12(17)14(8-13(10)19)20-5-3-18-4-6-20/h7-9,18H,2-6H2,1H3,(H,22,23)",OGJPXUAPXNRGGI-UHFFFAOYSA-N,Norfloxacin protomer II,4539
Norfloxacin protomer II,FC(C(N1CCNCC1)=C2)=CC3=C2N(CC)C=C(C(O)=O)C3=O,C16H18FN3O3,3.12,342.1224396,187.92,[M+Na],1,"InChI=1S/C16H18FN3O3/c1-2-19-9-11(16(22)23)15(21)10-7-12(17)14(8-13(10)19)20-5-3-18-4-6-20/h7-9,18H,2-6H2,1H3,(H,22,23)",OGJPXUAPXNRGGI-UHFFFAOYSA-N,Norfloxacin protomer II,4539
Norflunitrazepam (N-desmethyl-flunitrazepam),FC1=CC=CC=C1C2=NCC(N([H])C(C=C3)=C2C=C3[N+]([O-])=O)=O,C15H10FN3O3,7.63,300.0778994,165.2,[M+H],1,"InChI=1S/C15H10FN3O3/c16-12-4-2-1-3-10(12)15-11-7-9(19(21)22)5-6-13(11)18-14(20)8-17-15/h1-7H,8H2,(H,18,20)",KNGIGRDYBQPXKQ-UHFFFAOYSA-N,Norflunitrazepam (N-desmethyl-flunitrazepam),520217
Norketamine  ,ClC1=CC=CC=C1C2(CCCCC2=O)N([H])[H],C12H14ClNO,3.59,224.0836718,146.89,[M+H],1,"InChI=1S/C12H14ClNO/c13-10-6-2-1-5-9(10)12(14)8-4-3-7-11(12)15/h1-2,5-6H,3-4,7-8,14H2",BEQZHFIKTBVCAU-UHFFFAOYSA-N,Norketamine  ,123767
Norketamine  ,ClC1=CC=CC=C1C2(CCCCC2=O)N([H])[H],C12H14ClNO,3.59,207.0571218,139.89,[M+H-NH3],1,"InChI=1S/C12H14ClNO/c13-10-6-2-1-5-9(10)12(14)8-4-3-7-11(12)15/h1-2,5-6H,3-4,7-8,14H2",BEQZHFIKTBVCAU-UHFFFAOYSA-N,Norketamine  ,123767
norMorphine,O[C@@H]1[C@@H]2OC3=C(C4=CC=C3O)[C@]25[C@](C=C1)([H])[C@@H](C4)NCC5,C16H17NO3,0.93,272.1281234,147.06,[M+H],1,"InChI=1S/C16H17NO3/c18-11-3-1-8-7-10-9-2-4-12(19)15-16(9,5-6-17-10)13(8)14(11)20-15/h1-4,9-10,12,15,17-19H,5-7H2/t9-,10+,12-,15-,16-/m0/s1",ONBWJWYUHXVEJS-ZTYRTETDSA-N,norMorphine,5462508
norMorphine,O[C@@H]1[C@@H]2OC3=C(C4=CC=C3O)[C@]25[C@](C=C1)([H])[C@@H](C4)NCC5,C16H17NO3,0.93,294.1100634,165.78,[M+Na],1,"InChI=1S/C16H17NO3/c18-11-3-1-8-7-10-9-2-4-12(19)15-16(9,5-6-17-10)13(8)14(11)20-15/h1-4,9-10,12,15,17-19H,5-7H2/t9-,10+,12-,15-,16-/m0/s1",ONBWJWYUHXVEJS-ZTYRTETDSA-N,norMorphine,5462508
NSI-189 ((4-benzylpiperazin-1-yl)-[2-(3-methylbutylamino)pyridin-3-yl]methanone),CC(CCNC1=NC=CC=C1C(N2CCN(CC3=CC=CC=C3)CC2)=O)C,C22H30N4O,4.56,367.2492416,203.85,[M+H],1,"InChI=1S/C22H30N4O/c1-18(2)10-12-24-21-20(9-6-11-23-21)22(27)26-15-13-25(14-16-26)17-19-7-4-3-5-8-19/h3-9,11,18H,10,12-17H2,1-2H3,(H,23,24)",DYTOQURYRYYNOR-UHFFFAOYSA-N,NSI-189 ((4-benzylpiperazin-1-yl)-[2-(3-methylbutylamino)pyridin-3-yl]methanone),50922681
Ochratoxin A,ClC1=CC(C(N[C@@H](CC2=CC=CC=C2)C(O)=O)=O)=C(C3=C1C[C@@H](C)OC3=O)O,C20H18ClNO6,10.66,402.074985,193.27,[M-H],-1,"InChI=1S/C20H18ClNO6/c1-10-7-12-14(21)9-13(17(23)16(12)20(27)28-10)18(24)22-15(19(25)26)8-11-5-3-2-4-6-11/h2-6,9-10,15,23H,7-8H2,1H3,(H,22,24)(H,25,26)/t10-,15+/m1/s1",RWQKHEORZBHNRI-BMIGLBTASA-N,Ochratoxin A,442530
Ochratoxin A,ClC1=CC(C(N[C@@H](CC2=CC=CC=C2)C(O)=O)=O)=C(C3=C1C[C@@H](C)OC3=O)O,C20H18ClNO6,10.7,404.089545,188.74,[M+H],1,"InChI=1S/C20H18ClNO6/c1-10-7-12-14(21)9-13(17(23)16(12)20(27)28-10)18(24)22-15(19(25)26)8-11-5-3-2-4-6-11/h2-6,9-10,15,23H,7-8H2,1H3,(H,22,24)(H,25,26)/t10-,15+/m1/s1",RWQKHEORZBHNRI-BMIGLBTASA-N,Ochratoxin A,442530
Olanzapine,CN1CCN(C2=NC3=C(NC4=C2C=C(C)S4)C=CC=C3)CC1,C17H20N4S,2.34,313.1481478,175.78,[M+H],1,"InChI=1S/C17H20N4S/c1-12-11-13-16(21-9-7-20(2)8-10-21)18-14-5-3-4-6-15(14)19-17(13)22-12/h3-6,11,19H,7-10H2,1-2H3",KVWDHTXUZHCGIO-UHFFFAOYSA-N,Olanzapine,135398745
Omeprazole,O=S(CC1=NC=C(C(OC)=C1C)C)C2=NC3=CC(OC)=CC=C3N2,C17H19N3O3S,7.1,344.1074327,180.61,[M-H],-1,"InChI=1S/C17H19N3O3S/c1-10-8-18-15(11(2)16(10)23-4)9-24(21)17-19-13-6-5-12(22-3)7-14(13)20-17/h5-8H,9H2,1-4H3,(H,19,20)",SUBDBMMJDZJVOS-UHFFFAOYSA-N,Omeprazole,4594
Omeprazole,O=S(CC1=NC=C(C(OC)=C1C)C)C2=NC3=CC(OC)=CC=C3N2,C17H19N3O3S,6.6,346.1219927,180.58,[M+H],1,"InChI=1S/C17H19N3O3S/c1-10-8-18-15(11(2)16(10)23-4)9-24(21)17-19-13-6-5-12(22-3)7-14(13)20-17/h5-8H,9H2,1-4H3,(H,19,20)",SUBDBMMJDZJVOS-UHFFFAOYSA-N,Omeprazole,4594
Omeprazole,O=S(CC1=NC=C(C(OC)=C1C)C)C2=NC3=CC(OC)=CC=C3N2,C17H19N3O3S,6.6,368.1039327,191.13,[M+Na],1,"InChI=1S/C17H19N3O3S/c1-10-8-18-15(11(2)16(10)23-4)9-24(21)17-19-13-6-5-12(22-3)7-14(13)20-17/h5-8H,9H2,1-4H3,(H,19,20)",SUBDBMMJDZJVOS-UHFFFAOYSA-N,Omeprazole,4594
Omethoate,O=P(OC)(OC)SCC(NC)=O,C5H12NO4PS,1.77,214.029746,135.08,[M+H],1,"InChI=1S/C5H12NO4PS/c1-6-5(7)4-12-11(8,9-2)10-3/h4H2,1-3H3,(H,6,7)",PZXOQEXFMJCDPG-UHFFFAOYSA-N,Omethoate,14210
Omethoate,O=P(OC)(OC)SCC(NC)=O,C5H12NO4PS,1.77,236.011686,143.59,[M+Na],1,"InChI=1S/C5H12NO4PS/c1-6-5(7)4-12-11(8,9-2)10-3/h4H2,1-3H3,(H,6,7)",PZXOQEXFMJCDPG-UHFFFAOYSA-N,Omethoate,14210
Oxacillin,O=C1N2[C@@H]([C@@H]1NC(C3=C(C)ON=C3C4=CC=CC=C4)=O)SC(C)(C)[C@@H]2C(O)=O,C19H19N3O5S,8.5,400.0972619,198.25,[M-H],-1,"InChI=1S/C19H19N3O5S/c1-9-11(12(21-27-9)10-7-5-4-6-8-10)15(23)20-13-16(24)22-14(18(25)26)19(2,3)28-17(13)22/h4-8,13-14,17H,1-3H3,(H,20,23)(H,25,26)/t13-,14+,17-/m1/s1",UWYHMGVUTGAWSP-JKIFEVAISA-N,Oxacillin,6196
Oxacillin,O=C1N2[C@@H]([C@@H]1NC(C3=C(C)ON=C3C4=CC=CC=C4)=O)SC(C)(C)[C@@H]2C(O)=O,C19H19N3O5S,8.62,402.1118219,187.73,[M+H],1,"InChI=1S/C19H19N3O5S/c1-9-11(12(21-27-9)10-7-5-4-6-8-10)15(23)20-13-16(24)22-14(18(25)26)19(2,3)28-17(13)22/h4-8,13-14,17H,1-3H3,(H,20,23)(H,25,26)/t13-,14+,17-/m1/s1",UWYHMGVUTGAWSP-JKIFEVAISA-N,Oxacillin,6196
Oxacillin,O=C1N2[C@@H]([C@@H]1NC(C3=C(C)ON=C3C4=CC=CC=C4)=O)SC(C)(C)[C@@H]2C(O)=O,C19H19N3O5S,8.62,424.0937619,194.45,[M+Na],1,"InChI=1S/C19H19N3O5S/c1-9-11(12(21-27-9)10-7-5-4-6-8-10)15(23)20-13-16(24)22-14(18(25)26)19(2,3)28-17(13)22/h4-8,13-14,17H,1-3H3,(H,20,23)(H,25,26)/t13-,14+,17-/m1/s1",UWYHMGVUTGAWSP-JKIFEVAISA-N,Oxacillin,6196
Oxadixyl,COCC(N(N1CCOC1=O)C2=C(C)C=CC=C2C)=O,C14H18N2O4,6.56,279.1339371,158.81,[M+H],1,"InChI=1S/C14H18N2O4/c1-10-5-4-6-11(2)13(10)16(12(17)9-19-3)15-7-8-20-14(15)18/h4-6H,7-9H2,1-3H3",UWVQIROCRJWDKL-UHFFFAOYSA-N,Oxadixyl,53735
Oxadixyl,COCC(N(N1CCOC1=O)C2=C(C)C=CC=C2C)=O,C14H18N2O4,6.56,301.1158771,165.4,[M+Na],1,"InChI=1S/C14H18N2O4/c1-10-5-4-6-11(2)13(10)16(12(17)9-19-3)15-7-8-20-14(15)18/h4-6H,7-9H2,1-3H3",UWVQIROCRJWDKL-UHFFFAOYSA-N,Oxadixyl,53735
Oxamyl,O=C(/C(SC)=N/OC(NC)=O)N(C)C,C7H13N3O3S,2.45,242.0569825,149.93,[M+Na],1,"InChI=1S/C7H13N3O3S/c1-8-7(12)13-9-5(14-4)6(11)10(2)3/h1-4H3,(H,8,12)/b9-5-",KZAUOCCYDRDERY-UITAMQMPSA-N,Oxamyl,9595287
Oxolinic Acid,O=C1C(C=C2OCOC2=C3)=C3N(CC)C=C1C(O)=O,C13H11NO5,5.68,262.0710025,150.35,[M+H],1,"InChI=1S/C13H11NO5/c1-2-14-5-8(13(16)17)12(15)7-3-10-11(4-9(7)14)19-6-18-10/h3-5H,2,6H2,1H3,(H,16,17)",KYGZCKSPAKDVKC-UHFFFAOYSA-N,Oxolinic Acid,4628
Oxolinic Acid,O=C1C(C=C2OCOC2=C3)=C3N(CC)C=C1C(O)=O,C13H11NO5,5.68,284.0529425,163.65,[M+Na],1,"InChI=1S/C13H11NO5/c1-2-14-5-8(13(16)17)12(15)7-3-10-11(4-9(7)14)19-6-18-10/h3-5H,2,6H2,1H3,(H,16,17)",KYGZCKSPAKDVKC-UHFFFAOYSA-N,Oxolinic Acid,4628
Oxycodone,O[C@@]1(CCC2=O)[C@]3([C@H]2OC4=C5OC)C4=C(C=C5)C[C@H]1N(C)CC3,C18H21NO4,2,316.1543382,168.83,[M+H],1,"InChI=1S/C18H21NO4/c1-19-8-7-17-14-10-3-4-12(22-2)15(14)23-16(17)11(20)5-6-18(17,21)13(19)9-10/h3-4,13,16,21H,5-9H2,1-2H3/t13-,16+,17+,18-/m1/s1",BRUQQQPBMZOVGD-XFKAJCMBSA-N,Oxycodone,5284603
Oxycodone,O[C@@]1(CCC2=O)[C@]3([C@H]2OC4=C5OC)C4=C(C=C5)C[C@H]1N(C)CC3,C18H21NO4,2,338.1362782,174.55,[M+Na],1,"InChI=1S/C18H21NO4/c1-19-8-7-17-14-10-3-4-12(22-2)15(14)23-16(17)11(20)5-6-18(17,21)13(19)9-10/h3-4,13,16,21H,5-9H2,1-2H3/t13-,16+,17+,18-/m1/s1",BRUQQQPBMZOVGD-XFKAJCMBSA-N,Oxycodone,5284603
Oxydemeton-methyl,O=P(OC)(OC)SCCS(CC)=O,C6H15O4PS2,2.8,247.0222183,141.78,[M+H],1,"InChI=1S/C6H15O4PS2/c1-4-13(8)6-5-12-11(7,9-2)10-3/h4-6H2,1-3H3",PMCVMORKVPSKHZ-UHFFFAOYSA-N,Oxydemeton-methyl,4618
Oxydemeton-methyl,O=P(OC)(OC)SCCS(CC)=O,C6H15O4PS2,2.8,269.0041583,150.93,[M+Na],1,"InChI=1S/C6H15O4PS2/c1-4-13(8)6-5-12-11(7,9-2)10-3/h4-6H2,1-3H3",PMCVMORKVPSKHZ-UHFFFAOYSA-N,Oxydemeton-methyl,4618
Oxyphenylbutazone,O=C(C1CCCC)N(C(C=C2)=CC=C2O)N(C3=CC=CC=C3)C1=O,C19H20N2O3,9.06,323.1401125,184.74,[M-H],-1,"InChI=1S/C19H20N2O3/c1-2-3-9-17-18(23)20(14-7-5-4-6-8-14)21(19(17)24)15-10-12-16(22)13-11-15/h4-8,10-13,17,22H,2-3,9H2,1H3",HFHZKZSRXITVMK-UHFFFAOYSA-N,Oxyphenylbutazone,4641
Oxyphenylbutazone,O=C(C1CCCC)N(C(C=C2)=CC=C2O)N(C3=CC=CC=C3)C1=O,C19H20N2O3,9.12,325.1546725,179.21,[M+H],1,"InChI=1S/C19H20N2O3/c1-2-3-9-17-18(23)20(14-7-5-4-6-8-14)21(19(17)24)15-10-12-16(22)13-11-15/h4-8,10-13,17,22H,2-3,9H2,1H3",HFHZKZSRXITVMK-UHFFFAOYSA-N,Oxyphenylbutazone,4641
Paclobutrazol,CC(C)(C)[C@H](O)[C@@H](N1N=CN=C1)CC2=CC=C(Cl)C=C2,C15H20ClN3O,10.27,328.09889,177.82,[M+Cl],-1,"InChI=1S/C15H20ClN3O/c1-15(2,3)14(20)13(19-10-17-9-18-19)8-11-4-6-12(16)7-5-11/h4-7,9-10,13-14,20H,8H2,1-3H3/t13-,14+/m0/s1",RMOGWMIKYWRTKW-UONOGXRCSA-N,Paclobutrazol,73671
Paclobutrazol,CC(C)(C)[C@H](O)[C@@H](N1N=CN=C1)CC2=CC=C(Cl)C=C2,C15H20ClN3O,10.27,338.12769,180.28,[M+HCOO],-1,"InChI=1S/C15H20ClN3O/c1-15(2,3)14(20)13(19-10-17-9-18-19)8-11-4-6-12(16)7-5-11/h4-7,9-10,13-14,20H,8H2,1-3H3/t13-,14+/m0/s1",RMOGWMIKYWRTKW-UONOGXRCSA-N,Paclobutrazol,73671
Paclobutrazol,CC(C)(C)[C@H](O)[C@@H](N1N=CN=C1)CC2=CC=C(Cl)C=C2,C15H20N3OCl,10.29,294.13677,170,[M+H],1,"InChI=1S/C15H20ClN3O/c1-15(2,3)14(20)13(19-10-17-9-18-19)8-11-4-6-12(16)7-5-11/h4-7,9-10,13-14,20H,8H2,1-3H3/t13-,14+/m0/s1",RMOGWMIKYWRTKW-UONOGXRCSA-N,Paclobutrazol,73671
Pantoprazole,FC(OC1=CC=C2NC(S(CC(N=CC=C3OC)=C3OC)=O)=NC2=C1)F,C16H15F2N3O4S,7.38,382.0678535,188.02,[M-H],-1,"InChI=1S/C16H15F2N3O4S/c1-23-13-5-6-19-12(14(13)24-2)8-26(22)16-20-10-4-3-9(25-15(17)18)7-11(10)21-16/h3-7,15H,8H2,1-2H3,(H,20,21)",IQPSEEYGBUAQFF-UHFFFAOYSA-N,Pantoprazole,4679
Pantoprazole,FC(OC1=CC=C2NC(S(CC(N=CC=C3OC)=C3OC)=O)=NC2=C1)F,C16H15F2N3O4S,7.06,384.0824135,184.38,[M+H],1,"InChI=1S/C16H15F2N3O4S/c1-23-13-5-6-19-12(14(13)24-2)8-26(22)16-20-10-4-3-9(25-15(17)18)7-11(10)21-16/h3-7,15H,8H2,1-2H3,(H,20,21)",IQPSEEYGBUAQFF-UHFFFAOYSA-N,Pantoprazole,4679
Pantoprazole,FC(OC1=CC=C2NC(S(CC(N=CC=C3OC)=C3OC)=O)=NC2=C1)F,C16H15F2N3O4S,7.06,406.0643535,184.94,[M+Na],1,"InChI=1S/C16H15F2N3O4S/c1-23-13-5-6-19-12(14(13)24-2)8-26(22)16-20-10-4-3-9(25-15(17)18)7-11(10)21-16/h3-7,15H,8H2,1-2H3,(H,20,21)",IQPSEEYGBUAQFF-UHFFFAOYSA-N,Pantoprazole,4679
Parathion-ethyl,S=P(OCC)(OCC)OC(C=C1)=CC=C1[N+]([O-])=O,C10H14NO5PS,11.5,292.0403107,158.85,[M+H],1,"InChI=1S/C10H14NO5PS/c1-3-14-17(18,15-4-2)16-10-7-5-9(6-8-10)11(12)13/h5-8H,3-4H2,1-2H3",LCCNCVORNKJIRZ-UHFFFAOYSA-N,Parathion-ethyl,991
Parathion-methyl,S=P(OC)(OC)OC(C=C1)=CC=C1[N+]([O-])=O,C8H10NO5PS,5.79,261.9944506,154.49,[M-H],-1,"InChI=1S/C8H10NO5PS/c1-12-15(16,13-2)14-8-5-3-7(4-6-8)9(10)11/h3-6H,1-2H3",RLBIQVVOMOPOHC-UHFFFAOYSA-N,Parathion-methyl,4130
Parathion-methyl,S=P(OC)(OC)OC(C=C1)=CC=C1[N+]([O-])=O,C8H10NO5PS,9.74,264.0090106,149.84,[M+H],1,"InChI=1S/C8H10NO5PS/c1-12-15(16,13-2)14-8-5-3-7(4-6-8)9(10)11/h3-6H,1-2H3",RLBIQVVOMOPOHC-UHFFFAOYSA-N,Parathion-methyl,4130
Paroxetine,FC1=CC=C([C@H]2[C@H](COC3=CC4=C(C=C3)OCO4)CNCC2)C=C1,C19H20FNO3,7.69,330.1500017,183.61,[M+H],1,"InChI=1S/C19H20FNO3/c20-15-3-1-13(2-4-15)17-7-8-21-10-14(17)11-22-16-5-6-18-19(9-16)24-12-23-18/h1-6,9,14,17,21H,7-8,10-12H2/t14-,17-/m0/s1",AHOUBRCZNHFOSL-YOEHRIQHSA-N,Paroxetine,43815
Patulin,OC1OCC=C(C1=C2)OC2=O,C7H6O4,1.48,155.0338887,128.71,[M+H],1,"InChI=1S/C7H6O4/c8-6-3-4-5(11-6)1-2-10-7(4)9/h1,3,7,9H,2H2",ZRWPUFFVAOMMNM-UHFFFAOYSA-N,Patulin,4696
Pefloxacin,FC(C(N1CCN(C)CC1)=C2)=CC3=C2N(CC)C=C(C(O)=O)C3=O,C17H20FN3O3,3.02,334.1561497,178.17,[M+H],1,"InChI=1S/C17H20FN3O3/c1-3-20-10-12(17(23)24)16(22)11-8-13(18)15(9-14(11)20)21-6-4-19(2)5-7-21/h8-10H,3-7H2,1-2H3,(H,23,24)",FHFYDNQZQSQIAI-UHFFFAOYSA-N,Pefloxacin,51081
Pefloxacin,FC(C(N1CCN(C)CC1)=C2)=CC3=C2N(CC)C=C(C(O)=O)C3=O,C17H20FN3O3,3.02,356.1380897,192.96,[M+Na],1,"InChI=1S/C17H20FN3O3/c1-3-20-10-12(17(23)24)16(22)11-8-13(18)15(9-14(11)20)21-6-4-19(2)5-7-21/h8-10H,3-7H2,1-2H3,(H,23,24)",FHFYDNQZQSQIAI-UHFFFAOYSA-N,Pefloxacin,51081
Pendimethalin,[O-][N+](C1=C(C([N+]([O-])=O)=CC(C)=C1C)NC(CC)CC)=O,C13H19N3O4,13.73,282.1448361,159.72,[M+H],1,"InChI=1S/C13H19N3O4/c1-5-10(6-2)14-12-11(15(17)18)7-8(3)9(4)13(12)16(19)20/h7,10,14H,5-6H2,1-4H3",CHIFOSRWCNZCFN-UHFFFAOYSA-N,Pendimethalin,38479
Penicillin G,O=C1N2[C@]([C@@H]1NC(CC3=CC=CC=C3)=O)([H])SC(C)(C)[C@@H]2C(O)=O,C16H18N2O4S,7.44,333.0914482,184.92,[M-H],-1,"InChI=1S/C16H18N2O4S/c1-16(2)12(15(21)22)18-13(20)11(14(18)23-16)17-10(19)8-9-6-4-3-5-7-9/h3-7,11-12,14H,8H2,1-2H3,(H,17,19)(H,21,22)/t11-,12+,14-/m1/s1",JGSARLDLIJGVTE-MBNYWOFBSA-N,Penicillin G,5904
Penicillin G,O=C1N2[C@]([C@@H]1NC(CC3=CC=CC=C3)=O)([H])SC(C)(C)[C@@H]2C(O)=O,C16H18N2O4S,7.59,335.1060082,173.48,[M+H],1,"InChI=1S/C16H18N2O4S/c1-16(2)12(15(21)22)18-13(20)11(14(18)23-16)17-10(19)8-9-6-4-3-5-7-9/h3-7,11-12,14H,8H2,1-2H3,(H,17,19)(H,21,22)/t11-,12+,14-/m1/s1",JGSARLDLIJGVTE-MBNYWOFBSA-N,Penicillin G,5904
Penicillin G,O=C1N2[C@]([C@@H]1NC(CC3=CC=CC=C3)=O)([H])SC(C)(C)[C@@H]2C(O)=O,C16H18N2O4S,7.59,357.0879482,181.67,[M+Na],1,"InChI=1S/C16H18N2O4S/c1-16(2)12(15(21)22)18-13(20)11(14(18)23-16)17-10(19)8-9-6-4-3-5-7-9/h3-7,11-12,14H,8H2,1-2H3,(H,17,19)(H,21,22)/t11-,12+,14-/m1/s1",JGSARLDLIJGVTE-MBNYWOFBSA-N,Penicillin G,5904
Pentachlorophenol,c1(c(c(c(c(c1Cl)Cl)Cl)Cl)Cl)O,C6HCl5O,13.18,262.8397232,135.93,[M-H],-1,InChI=1S/C6HCl5O/c7-1-2(8)4(10)6(12)5(11)3(1)9/h12H,IZUPBVBPLAPZRR-UHFFFAOYSA-N,Pentachlorophenol,992
Pentylone  ,CNC(CCC)C(C(C=C1)=CC2=C1OCO2)=O,C13H17NO3,4.19,236.1281234,155.92,[M+H],1,"InChI=1S/C13H17NO3/c1-3-4-10(14-2)13(15)9-5-6-11-12(7-9)17-8-16-11/h5-7,10,14H,3-4,8H2,1-2H3",DFMLULIEUUXXSA-UHFFFAOYSA-N,Pentylone  ,60208608
Pentylone  ,CNC(CCC)C(C(C=C1)=CC2=C1OCO2)=O,C13H17NO3,4.19,218.1175634,146.85,[M+H-H2O],1,"InChI=1S/C13H17NO3/c1-3-4-10(14-2)13(15)9-5-6-11-12(7-9)17-8-16-11/h5-7,10,14H,3-4,8H2,1-2H3",DFMLULIEUUXXSA-UHFFFAOYSA-N,Pentylone  ,60208608
Phenazone,O=C(N1C2=CC=CC=C2)C=C(N1C)C,C11H12N2O,4.02,189.102243,135.59,[M+H],1,"InChI=1S/C11H12N2O/c1-9-8-11(14)13(12(9)2)10-6-4-3-5-7-10/h3-8H,1-2H3",VEQOALNAAJBPNY-UHFFFAOYSA-N,Phenazone,2206
Phenylbutazone,O=C1N(C2=CC=CC=C2)N(C3=CC=CC=C3)C(C1CCCC)=O,C19H20N2O2,10.82,307.1451979,179.6,[M-H],-1,"InChI=1S/C19H20N2O2/c1-2-3-14-17-18(22)20(15-10-6-4-7-11-15)21(19(17)23)16-12-8-5-9-13-16/h4-13,17H,2-3,14H2,1H3",VYMDGNCVAMGZFE-UHFFFAOYSA-N,Phenylbutazone,4781
Phenylbutazone,O=C1N(C2=CC=CC=C2)N(C3=CC=CC=C3)C(C1CCCC)=O,C19H20N2O2,10.92,309.1597579,173.6,[M+H],1,"InChI=1S/C19H20N2O2/c1-2-3-14-17-18(22)20(15-10-6-4-7-11-15)21(19(17)23)16-12-8-5-9-13-16/h4-13,17H,2-3,14H2,1H3",VYMDGNCVAMGZFE-UHFFFAOYSA-N,Phenylbutazone,4781
Phosmet,S=P(OC)(OC)SCN1C(C2=CC=CC=C2C1=O)=O,C11H12NO4PS2,9.44,318.0018172,159.32,[M+H],1,"InChI=1S/C11H12NO4PS2/c1-15-17(18,16-2)19-7-12-10(13)8-5-3-4-6-9(8)11(12)14/h3-6H,7H2,1-2H3",LMNZTLDVJIUSHT-UHFFFAOYSA-N,Phosmet,12901
Phosmet,S=P(OC)(OC)SCN1C(C2=CC=CC=C2C1=O)=O,C11H12NO4PS2,9.44,339.9837572,167.89,[M+Na],1,"InChI=1S/C11H12NO4PS2/c1-15-17(18,16-2)19-7-12-10(13)8-5-3-4-6-9(8)11(12)14/h3-6H,7H2,1-2H3",LMNZTLDVJIUSHT-UHFFFAOYSA-N,Phosmet,12901
Phosphamidon,Cl/C(C(N(CC)CC)=O)=C(C)\OP(OC)(OC)=O,C10H19NO5PCl,6.75,300.0762174,155.99,[M+H],1,"InChI=1S/C10H19ClNO5P/c1-6-12(7-2)10(13)9(11)8(3)17-18(14,15-4)16-5/h6-7H2,1-5H3/b9-8-",RGCLLPNLLBQHPF-HJWRWDBZSA-N,Phosphamidon,3032604
Phosphamidon,Cl/C(C(N(CC)CC)=O)=C(C)\OP(OC)(OC)=O,C10H19NO5PCl,6.75,322.0581574,162.25,[M+Na],1,"InChI=1S/C10H19ClNO5P/c1-6-12(7-2)10(13)9(11)8(3)17-18(14,15-4)16-5/h6-7H2,1-5H3/b9-8-",RGCLLPNLLBQHPF-HJWRWDBZSA-N,Phosphamidon,3032604
Picloram,c1(c(c(nc(c1Cl)Cl)C(=O)O)Cl)N,C6H3Cl3N2O2,0.67,274.8954104,140.32,[M+Cl],-1,"InChI=1S/C6H3Cl3N2O2/c7-1-3(10)2(8)5(9)11-4(1)6(12)13/h(H2,10,11)(H,12,13)",NQQVFXUMIDALNH-UHFFFAOYSA-N,Picloram,15965
Pipemidic Acid,CCN1C2=C(C(C(C(O)=O)=C1)=O)C=NC(N3CCNCC3)=N2,C14H17N5O3,2.43,304.1404194,172.63,[M+H],1,"InChI=1S/C14H17N5O3/c1-2-18-8-10(13(21)22)11(20)9-7-16-14(17-12(9)18)19-5-3-15-4-6-19/h7-8,15H,2-6H2,1H3,(H,21,22)",JOHZPMXAZQZXHR-UHFFFAOYSA-N,Pipemidic Acid,4831
Pipemidic Acid,CCN1C2=C(C(C(C(O)=O)=C1)=O)C=NC(N3CCNCC3)=N2,C14H17N5O3,2.43,326.1223594,183.93,[M+Na],1,"InChI=1S/C14H17N5O3/c1-2-18-8-10(13(21)22)11(20)9-7-16-14(17-12(9)18)19-5-3-15-4-6-19/h7-8,15H,2-6H2,1H3,(H,21,22)",JOHZPMXAZQZXHR-UHFFFAOYSA-N,Pipemidic Acid,4831
Piperacillin,O=C1N2[C@]([C@@H]1NC([C@@H](C3=CC=CC=C3)NC(N4C(C(N(CC)CC4)=O)=O)=O)=O)([H])SC(C)(C)[C@@H]2C(O)=O,C23H27N5O7S,7.34,516.1558394,221.26,[M-H],-1,"InChI=1S/C23H27N5O7S/c1-4-26-10-11-27(19(32)18(26)31)22(35)25-13(12-8-6-5-7-9-12)16(29)24-14-17(30)28-15(21(33)34)23(2,3)36-20(14)28/h5-9,13-15,20H,4,10-11H2,1-3H3,(H,24,29)(H,25,35)(H,33,34)/t13-,14-,15+,20-/m1/s1",IVBHGBMCVLDMKU-GXNBUGAJSA-N,Piperacillin,43672
Piperacillin,O=C1N2[C@]([C@@H]1NC([C@@H](C3=CC=CC=C3)NC(N4C(C(N(CC)CC4)=O)=O)=O)=O)([H])SC(C)(C)[C@@H]2C(O)=O,C23H27N5O7S,7.45,518.1703994,226.29,[M+H],1,"InChI=1S/C23H27N5O7S/c1-4-26-10-11-27(19(32)18(26)31)22(35)25-13(12-8-6-5-7-9-12)16(29)24-14-17(30)28-15(21(33)34)23(2,3)36-20(14)28/h5-9,13-15,20H,4,10-11H2,1-3H3,(H,24,29)(H,25,35)(H,33,34)/t13-,14-,15+,20-/m1/s1",IVBHGBMCVLDMKU-GXNBUGAJSA-N,Piperacillin,43672
Piperacillin,O=C1N2[C@]([C@@H]1NC([C@@H](C3=CC=CC=C3)NC(N4C(C(N(CC)CC4)=O)=O)=O)=O)([H])SC(C)(C)[C@@H]2C(O)=O,C23H27N5O7S,7.45,540.1523394,224.04,[M+Na],1,"InChI=1S/C23H27N5O7S/c1-4-26-10-11-27(19(32)18(26)31)22(35)25-13(12-8-6-5-7-9-12)16(29)24-14-17(30)28-15(21(33)34)23(2,3)36-20(14)28/h5-9,13-15,20H,4,10-11H2,1-3H3,(H,24,29)(H,25,35)(H,33,34)/t13-,14-,15+,20-/m1/s1",IVBHGBMCVLDMKU-GXNBUGAJSA-N,Piperacillin,43672
Pirimicarb,CN(C)C(OC1=C(C)C(C)=NC(N(C)C)=N1)=O,C11H18N4O2,6.22,239.1502558,156.23,[M+H],1,InChI=1S/C11H18N4O2/c1-7-8(2)12-10(14(3)4)13-9(7)17-11(16)15(5)6/h1-6H3,YFGYUFNIOHWBOB-UHFFFAOYSA-N,Pirimicarb,31645
Pirimiphos-methyl,S=P(OC)(OC)OC1=CC(C)=NC(N(CC)CC)=N1,C11H20N3O3PS,12.11,306.1035797,167.15,[M+H],1,"InChI=1S/C11H20N3O3PS/c1-6-14(7-2)11-12-9(3)8-10(13-11)17-18(19,15-4)16-5/h8H,6-7H2,1-5H3",QHOQHJPRIBSPCY-UHFFFAOYSA-N,Pirimiphos-methyl,34526
PMMA (p-methoxymetamphetamine),COC1=CC=C(CC(C)NC)C=C1,C11H17NO,2.87,180.1382942,143.18,[M+H],1,"InChI=1S/C11H17NO/c1-9(12-2)8-10-4-6-11(13-3)7-5-10/h4-7,9,12H,8H2,1-3H3",UGFMBZYKVQSQFX-UHFFFAOYSA-N,PMMA (p-methoxymetamphetamine),90766
"Pravadoline (WIN 48,098)",O=C(C1=C(N(C2=C1C=CC=C2)CCN3CCOCC3)C)C4=CC=C(C=C4)OC,C23H26N2O3,7.25,379.2016227,193.26,[M+H],1,"InChI=1S/C23H26N2O3/c1-17-22(23(26)18-7-9-19(27-2)10-8-18)20-5-3-4-6-21(20)25(17)12-11-24-13-15-28-16-14-24/h3-10H,11-16H2,1-2H3",MEUQWHZOUDZXHH-UHFFFAOYSA-N,"Pravadoline (WIN 48,098)",56463
"Pravadoline (WIN 48,098)",O=C(C1=C(N(C2=C1C=CC=C2)CCN3CCOCC3)C)C4=CC=C(C=C4)OC,C23H26N2O3,7.25,401.1835627,194.73,[M+Na],1,"InChI=1S/C23H26N2O3/c1-17-22(23(26)18-7-9-19(27-2)10-8-18)20-5-3-4-6-21(20)25(17)12-11-24-13-15-28-16-14-24/h3-10H,11-16H2,1-2H3",MEUQWHZOUDZXHH-UHFFFAOYSA-N,"Pravadoline (WIN 48,098)",56463
Pravastatin,CC[C@H](C)C(=O)O[C@H]1C[C@@H](C=C2[C@H]1[C@H]([C@H](C=C2)C)CC[C@H](C[C@H](CC(=O)O)O)O)O,C23H36O7,9.18,423.2388235,206.51,[M-H],-1,"InChI=1S/C23H36O7/c1-4-13(2)23(29)30-20-11-17(25)9-15-6-5-14(3)19(22(15)20)8-7-16(24)10-18(26)12-21(27)28/h5-6,9,13-14,16-20,22,24-26H,4,7-8,10-12H2,1-3H3,(H,27,28)/t13-,14-,16+,17+,18+,19-,20-,22-/m0/s1",TUZYXOIXSAXUGO-PZAWKZKUSA-N,Pravastatin,54687
Primidone,O=C(C1(CC)C2=CC=CC=C2)NCNC1=O,C12H14N2O2,4.67,219.1128077,147.25,[M+H],1,"InChI=1S/C12H14N2O2/c1-2-12(9-6-4-3-5-7-9)10(15)13-8-14-11(12)16/h3-7H,2,8H2,1H3,(H,13,15)(H,14,16)",DQMZLTXERSFNPB-UHFFFAOYSA-N,Primidone,4909
Primidone,O=C(C1(CC)C2=CC=CC=C2)NCNC1=O,C12H14N2O2,4.67,241.0947477,154.44,[M+Na],1,"InChI=1S/C12H14N2O2/c1-2-12(9-6-4-3-5-7-9)10(15)13-8-14-11(12)16/h3-7H,2,8H2,1H3,(H,13,15)(H,14,16)",DQMZLTXERSFNPB-UHFFFAOYSA-N,Primidone,4909
Prochloraz,ClC1=C(C(Cl)=CC(Cl)=C1)OCCN(C(N2N=CC=C2)=O)CCC,C15H16Cl3N3O2,11.8,376.0380899,182.48,[M+H],1,"InChI=1S/C15H16Cl3N3O2/c1-2-5-20(15(22)21-6-3-4-19-21)7-8-23-14-12(17)9-11(16)10-13(14)18/h3-4,6,9-10H,2,5,7-8H2,1H3",IVCITWHJIOQNBI-UHFFFAOYSA-N,Prochloraz,6427128
Procymidone,O=C1N(C(C(C2)(C)C12C)=O)C3=CC(Cl)=CC(Cl)=C3,C13H11Cl2NO2,10.85,284.023964,163.37,[M+H],1,"InChI=1S/C13H11Cl2NO2/c1-12-6-13(12,2)11(18)16(10(12)17)9-4-7(14)3-8(15)5-9/h3-5H,6H2,1-2H3",QXJKBPAVAHBARF-UHFFFAOYSA-N,Procymidone,36242
Profenofos,BrC1=CC(Cl)=C(C=C1)OP(SCCC)(OCC)=O,C11H15BrClO3PS,12.97,372.942423,166.64,[M+H],1,"InChI=1S/C11H15BrClO3PS/c1-3-7-18-17(14,15-4-2)16-11-6-5-9(12)8-10(11)13/h5-6,8H,3-4,7H2,1-2H3",QYMMJNLHFKGANY-UHFFFAOYSA-N,Profenofos,38779
Profenofos,BrC1=CC(Cl)=C(C=C1)OP(SCCC)(OCC)=O,C11H15BrClO3PS,12.97,394.924363,182.33,[M+Na],1,"InChI=1S/C11H15BrClO3PS/c1-3-7-18-17(14,15-4-2)16-11-6-5-9(12)8-10(11)13/h5-6,8H,3-4,7H2,1-2H3",QYMMJNLHFKGANY-UHFFFAOYSA-N,Profenofos,38779
Progesterone,O=C(C)[C@@H]1[C@](CC2)(C)[C@@H](CC1)[C@H](CC3)[C@H]2[C@](CC4)(C)C3=CC4=O,C21H30O2,11.77,315.2318602,180.36,[M+H],1,"InChI=1S/C21H30O2/c1-13(22)17-6-7-18-16-5-4-14-12-15(23)8-10-20(14,2)19(16)9-11-21(17,18)3/h12,16-19H,4-11H2,1-3H3/t16-,17+,18-,19-,20-,21+/m0/s1",RJKFOVLPORLFTN-LEKSSAKUSA-N,Progesterone,5994
Promecarb,O=C(NC)OC1=CC(C(C)C)=CC(C)=C1,C12H17NO2,10.17,208.1332088,150.39,[M+H],1,"InChI=1S/C12H17NO2/c1-8(2)10-5-9(3)6-11(7-10)15-12(14)13-4/h5-8H,1-4H3,(H,13,14)",DTAPQAJKAFRNJB-UHFFFAOYSA-N,Promecarb,17516
Promecarb,O=C(NC)OC1=CC(C(C)C)=CC(C)=C1,C12H17NO2,10.17,230.1151488,157.13,[M+Na],1,"InChI=1S/C12H17NO2/c1-8(2)10-5-9(3)6-11(7-10)15-12(14)13-4/h5-8H,1-4H3,(H,13,14)",DTAPQAJKAFRNJB-UHFFFAOYSA-N,Promecarb,17516
Propachlor ,ClCC(N(C(C)C)C1=CC=CC=C1)=O,C11H14ClNO,8.78,212.0836718,142.9,[M+H],1,"InChI=1S/C11H14ClNO/c1-9(2)13(11(14)8-12)10-6-4-3-5-7-10/h3-7,9H,8H2,1-2H3",MFOUDYKPLGXPGO-UHFFFAOYSA-N,Propachlor ,4931
Propachlor ,ClCC(N(C(C)C)C1=CC=CC=C1)=O,C11H14ClNO,8.78,234.0656118,160.98,[M+Na],1,"InChI=1S/C11H14ClNO/c1-9(2)13(11(14)8-12)10-6-4-3-5-7-10/h3-7,9H,8H2,1-2H3",MFOUDYKPLGXPGO-UHFFFAOYSA-N,Propachlor ,4931
Propamocarb,O=C(NCCCN(C)C)OCCC,C9H20N2O2,1.47,189.1597579,144.69,[M+H],1,"InChI=1S/C9H20N2O2/c1-4-8-13-9(12)10-6-5-7-11(2)3/h4-8H2,1-3H3,(H,10,12)",WZZLDXDUQPOXNW-UHFFFAOYSA-N,Propamocarb,32490
Propanil,ClC(C=C(C=C1)NC(CC)=O)=C1Cl,C9H9Cl2NO,9.68,215.9988393,143.48,[M-H],-1,"InChI=1S/C9H9Cl2NO/c1-2-9(13)12-6-3-4-7(10)8(11)5-6/h3-5H,2H2,1H3,(H,12,13)",LFULEKSKNZEWOE-UHFFFAOYSA-N,Propanil,4933
Propanil,ClC(C=C(C=C1)NC(CC)=O)=C1Cl,C9H9NOCl2,9.69,218.0133993,144.97,[M+H],1,"InChI=1S/C9H9Cl2NO/c1-2-9(13)12-6-3-4-7(10)8(11)5-6/h3-5H,2H2,1H3,(H,12,13)",LFULEKSKNZEWOE-UHFFFAOYSA-N,Propanil,4933
Propazine,ClC1=NC(NC(C)C)=NC(NC(C)C)=N1,C9H16ClN5,9.72,230.1167032,155.5,[M+H],1,"InChI=1S/C9H16ClN5/c1-5(2)11-8-13-7(10)14-9(15-8)12-6(3)4/h5-6H,1-4H3,(H2,11,12,13,14,15)",WJNRPILHGGKWCK-UHFFFAOYSA-N,Propazine,4937
Propham ,O=C(NC1=CC=CC=C1)OC(C)C,C10H13NO2,8.42,202.0838487,150.76,[M+Na],1,"InChI=1S/C10H13NO2/c1-8(2)13-10(12)11-9-6-4-3-5-7-9/h3-8H,1-2H3,(H,11,12)",VXPLXMJHHKHSOA-UHFFFAOYSA-N,Propham ,24685
Propiconazole,ClC1=C(C=CC(Cl)=C1)C2(CN3N=CN=C3)OC(CCC)CO2,C15H17Cl2N3O2,11.87,342.0770622,177.88,[M+H],1,"InChI=1S/C15H17Cl2N3O2/c1-2-3-12-7-21-15(22-12,8-20-10-18-9-19-20)13-5-4-11(16)6-14(13)17/h4-6,9-10,12H,2-3,7-8H2,1H3",STJLVHWMYQXCPB-UHFFFAOYSA-N,Propiconazole,43234
Propionylpromazine,O=C(CC)C1=CC2=C(C=C1)SC3=CC=CC=C3N2CCCN(C)C,C20H24N2OS,8.42,341.1682146,182.87,[M+H],1,"InChI=1S/C20H24N2OS/c1-4-18(23)15-10-11-20-17(14-15)22(13-7-12-21(2)3)16-8-5-6-9-19(16)24-20/h5-6,8-11,14H,4,7,12-13H2,1-3H3",ZQTVCQIJTREKSP-UHFFFAOYSA-N,Propionylpromazine,24352
Propionylpromazine,O=C(CC)C1=CC2=C(C=C1)SC3=CC=CC=C3N2CCCN(C)C,C20H24N2OS,8.42,363.1501546,191.8,[M+Na],1,"InChI=1S/C20H24N2OS/c1-4-18(23)15-10-11-20-17(14-15)22(13-7-12-21(2)3)16-8-5-6-9-19(16)24-20/h5-6,8-11,14H,4,7,12-13H2,1-3H3",ZQTVCQIJTREKSP-UHFFFAOYSA-N,Propionylpromazine,24352
Propoxur,CNC(OC1=C(OC(C)C)C=CC=C1)=O,C11H15NO3,7.15,210.1124733,145.4,[M+H],1,"InChI=1S/C11H15NO3/c1-8(2)14-9-6-4-5-7-10(9)15-11(13)12-3/h4-8H,1-3H3,(H,12,13)",ISRUGXGCCGIOQO-UHFFFAOYSA-N,Propoxur,4944
Propoxur,CNC(OC1=C(OC(C)C)C=CC=C1)=O,C11H15NO3,7.15,232.0944133,152.05,[M+Na],1,"InChI=1S/C11H15NO3/c1-8(2)14-9-6-4-5-7-10(9)15-11(13)12-3/h4-8H,1-3H3,(H,12,13)",ISRUGXGCCGIOQO-UHFFFAOYSA-N,Propoxur,4944
Propylparaben,CCCOC(=O)c1ccc(cc1)O,C10H12O3,8.6,179.0713642,142.48,[M-H],-1,"InChI=1S/C10H12O3/c1-2-7-13-10(12)8-3-5-9(11)6-4-8/h3-6,11H,2,7H2,1H3",QELSKZZBTMNZEB-UHFFFAOYSA-N,Propylparaben,7175
Propyzamide,ClC1=CC(C(NC(C)(C)C#C)=O)=CC(Cl)=C1,C12H11NOCl2,10.27,256.0290494,157.7,[M+H],1,"InChI=1S/C12H11Cl2NO/c1-4-12(2,3)15-11(16)8-5-9(13)7-10(14)6-8/h1,5-7H,2-3H3,(H,15,16)",PHNUZKMIPFFYSO-UHFFFAOYSA-N,Propyzamide,32154
Propyzamide,ClC1=CC(C(NC(C)(C)C#C)=O)=CC(Cl)=C1,C12H11NOCl2,10.27,278.0109894,175.61,[M+Na],1,"InChI=1S/C12H11Cl2NO/c1-4-12(2,3)15-11(16)8-5-9(13)7-10(14)6-8/h1,5-7H,2-3H3,(H,15,16)",PHNUZKMIPFFYSO-UHFFFAOYSA-N,Propyzamide,32154
"Proscaline (4-propoxy-3,5-dimethoxyphenethylamine)",NCCC1=CC(OC)=C(OCCC)C(OC)=C1,C13H21NO3,5.11,240.1594235,169.78,[M+H],1,"InChI=1S/C13H21NO3/c1-4-7-17-13-11(15-2)8-10(5-6-14)9-12(13)16-3/h8-9H,4-7,14H2,1-3H3",HYWLMSUAZVDUFW-UHFFFAOYSA-N,"Proscaline (4-propoxy-3,5-dimethoxyphenethylamine)",15102790
"Proscaline (4-propoxy-3,5-dimethoxyphenethylamine)",NCCC1=CC(OC)=C(OCCC)C(OC)=C1,C13H21NO3,5.11,223.1328735,149.77,[M+H-NH3],1,"InChI=1S/C13H21NO3/c1-4-7-17-13-11(15-2)8-10(5-6-14)9-12(13)16-3/h8-9H,4-7,14H2,1-3H3",HYWLMSUAZVDUFW-UHFFFAOYSA-N,"Proscaline (4-propoxy-3,5-dimethoxyphenethylamine)",15102790
Prosulfocarb,O=C(N(CCC)CCC)SCC1=CC=CC=C1,C14H21NOS,12.87,252.1416655,157.93,[M+H],1,"InChI=1S/C14H21NOS/c1-3-10-15(11-4-2)14(16)17-12-13-8-6-5-7-9-13/h5-9H,3-4,10-12H2,1-2H3",NQLVQOSNDJXLKG-UHFFFAOYSA-N,Prosulfocarb,62020
Prosulfocarb,O=C(N(CCC)CCC)SCC1=CC=CC=C1,C14H21NOS,12.87,274.1236055,166.08,[M+Na],1,"InChI=1S/C14H21NOS/c1-3-10-15(11-4-2)14(16)17-12-13-8-6-5-7-9-13/h5-9H,3-4,10-12H2,1-2H3",NQLVQOSNDJXLKG-UHFFFAOYSA-N,Prosulfocarb,62020
Prothioconazole,ClC1=C(CC(CN2NC=NC2=S)(O)C3(CC3)Cl)C=CC=C1,C14H15Cl2N3OS,11.89,342.0240087,171.62,[M-H],-1,"InChI=1S/C14H15Cl2N3OS/c15-11-4-2-1-3-10(11)7-14(20,13(16)5-6-13)8-19-12(21)17-9-18-19/h1-4,9,20H,5-8H2,(H,17,18,21)",MNHVNIJQQRJYDH-UHFFFAOYSA-N,Prothioconazole,6451142
Prothioconazole,ClC1=C(CC(CN2NC=NC2=S)(O)C3(CC3)Cl)C=CC=C1,C14H15Cl2N3OS,11.9,366.0205087,172.02,[M+Na],1,"InChI=1S/C14H15Cl2N3OS/c15-11-4-2-1-3-10(11)7-14(20,13(16)5-6-13)8-19-12(21)17-9-18-19/h1-4,9,20H,5-8H2,(H,17,18,21)",MNHVNIJQQRJYDH-UHFFFAOYSA-N,Prothioconazole,6451142
Pymethrozine,O=C(NN=C(C)C1)N1/N=C/C2=CC=CN=C2,C10H11N5O,1.73,218.10364,152.5,[M+H],1,"InChI=1S/C10H11N5O/c1-8-7-15(10(16)14-13-8)12-6-9-3-2-4-11-5-9/h2-6H,7H2,1H3,(H,14,16)/b12-6+",QHMTXANCGGJZRX-WUXMJOGZSA-N,Pymethrozine,9576037
Pyraclostrobin,COC(N(OC)C1=C(COC2=NN(C3=CC=C(Cl)C=C3)C=C2)C=CC=C1)=O,C19H18ClN3O4,12.06,388.1058638,184.19,[M+H],1,"InChI=1S/C19H18ClN3O4/c1-25-19(24)23(26-2)17-6-4-3-5-14(17)13-27-18-11-12-22(21-18)16-9-7-15(20)8-10-16/h3-12H,13H2,1-2H3",HZRSNVGNWUDEFX-UHFFFAOYSA-N,Pyraclostrobin,6422843
Pyraclostrobin,COC(N(OC)C1=C(COC2=NN(C3=CC=C(Cl)C=C3)C=C2)C=CC=C1)=O,C19H18ClN3O4,12.06,410.0878038,195.44,[M+Na],1,"InChI=1S/C19H18ClN3O4/c1-25-19(24)23(26-2)17-6-4-3-5-14(17)13-27-18-11-12-22(21-18)16-9-7-15(20)8-10-16/h3-12H,13H2,1-2H3",HZRSNVGNWUDEFX-UHFFFAOYSA-N,Pyraclostrobin,6422843
Pyridaphenthion,CCOP(OCC)(OC(C=C1)=NN(C2=CC=CC=C2)C1=O)=S,C14H17N2O4PS,10.59,341.0719452,175.12,[M+H],1,"InChI=1S/C14H17N2O4PS/c1-3-18-21(22,19-4-2)20-13-10-11-14(17)16(15-13)12-8-6-5-7-9-12/h5-11H,3-4H2,1-2H3",CXJSOEPQXUCJSA-UHFFFAOYSA-N,Pyridaphenthion,8381
Pyridaphenthion,CCOP(OCC)(OC(C=C1)=NN(C2=CC=CC=C2)C1=O)=S,C14H17N2O4PS,10.59,363.0538852,181.54,[M+Na],1,"InChI=1S/C14H17N2O4PS/c1-3-18-21(22,19-4-2)20-13-10-11-14(17)16(15-13)12-8-6-5-7-9-12/h5-11H,3-4H2,1-2H3",CXJSOEPQXUCJSA-UHFFFAOYSA-N,Pyridaphenthion,8381
Pyrifenox 1,ClC1=C(C=CC(Cl)=C1)C(CC2=CN=CC=C2)=NOC,C14H12Cl2N2O,9.89,295.0399484,168.85,[M+H],1,"InChI=1S/C14H12Cl2N2O/c1-19-18-14(7-10-3-2-6-17-9-10)12-5-4-11(15)8-13(12)16/h2-6,8-9H,7H2,1H3",CKPCAYZTYMHQEX-UHFFFAOYSA-N,Pyrifenox 1,55790
Pyrifenox 2,ClC1=C(C=CC(Cl)=C1)C(CC2=CN=CC=C2)=NOC,C14H12Cl2N2O,10.27,295.0399484,167.08,[M+H],1,"InChI=1S/C14H12Cl2N2O/c1-19-18-14(7-10-3-2-6-17-9-10)12-5-4-11(15)8-13(12)16/h2-6,8-9H,7H2,1H3",CKPCAYZTYMHQEX-UHFFFAOYSA-N,Pyrifenox 2,55790
Pyriproxyfen,CC(COC1=CC=C(C=C1)OC2=CC=CC=C2)OC3=NC=CC=C3,C20H19NO3,13.54,322.1437735,184.43,[M+H],1,"InChI=1S/C20H19NO3/c1-16(23-20-9-5-6-14-21-20)15-22-17-10-12-19(13-11-17)24-18-7-3-2-4-8-18/h2-14,16H,15H2,1H3",NHDHVHZZCFYRSB-UHFFFAOYSA-N,Pyriproxyfen,91753
Quinalphos,S=P(OCC)(OCC)OC1=NC(C=CC=C2)=C2N=C1,C12H15N2O3PS,12.07,297.0468205,168.54,[M-H],-1,"InChI=1S/C12H15N2O3PS/c1-3-15-18(19,16-4-2)17-12-9-13-10-7-5-6-8-11(10)14-12/h5-9H,3-4H2,1-2H3",JYQUHIFYBATCCY-UHFFFAOYSA-N,Quinalphos,26124
Quinalphos,S=P(OCC)(OCC)OC1=NC(C=CC=C2)=C2N=C1,C12H15N2O3PS,11.53,299.0613805,163.16,[M+H],1,"InChI=1S/C12H15N2O3PS/c1-3-15-18(19,16-4-2)17-12-9-13-10-7-5-6-8-11(10)14-12/h5-9H,3-4H2,1-2H3",JYQUHIFYBATCCY-UHFFFAOYSA-N,Quinalphos,26124
Quinalphos,S=P(OCC)(OCC)OC1=NC(C=CC=C2)=C2N=C1,C12H15N2O3PS,11.53,321.0433205,169.92,[M+Na],1,"InChI=1S/C12H15N2O3PS/c1-3-15-18(19,16-4-2)17-12-9-13-10-7-5-6-8-11(10)14-12/h5-9H,3-4H2,1-2H3",JYQUHIFYBATCCY-UHFFFAOYSA-N,Quinalphos,26124
Quizalofop-ethyl,O=C(OCC)C(C)OC1=CC=CC(OC2=NC(C(N=C2)=C3)=CC=C3Cl)=C1,C19H17ClN2O4,13,373.0949647,193.28,[M+H],1,"InChI=1S/C19H17ClN2O4/c1-3-24-19(23)12(2)25-14-5-4-6-15(10-14)26-18-11-21-17-9-13(20)7-8-16(17)22-18/h4-12H,3H2,1-2H3",WEDDIMYBTXRHEV-UHFFFAOYSA-N,Quizalofop-ethyl,13488227
Quizalofop-ethyl,O=C(OCC)C(C)OC1=CC=CC(OC2=NC(C(N=C2)=C3)=CC=C3Cl)=C1,C19H17ClN2O4,13,395.0769047,190.96,[M+Na],1,"InChI=1S/C19H17ClN2O4/c1-3-24-19(23)12(2)25-14-5-4-6-15(10-14)26-18-11-21-17-9-13(20)7-8-16(17)22-18/h4-12H,3H2,1-2H3",WEDDIMYBTXRHEV-UHFFFAOYSA-N,Quizalofop-ethyl,13488227
R(+)-methcathinone,O=C(C1=CC=CC=C1)C(C)N([H])C,C10H13NO,1.86,164.106994,137.01,[M+H],1,"InChI=1S/C10H13NO/c1-8(11-2)10(12)9-6-4-3-5-7-9/h3-8,11H,1-2H3",LPLLVINFLBSFRP-UHFFFAOYSA-N,R(+)-methcathinone,1576
R(+)-methcathinone,O=C(C1=CC=CC=C1)C(C)N([H])C,C10H13NO,1.86,146.096434,128.31,[M+H-H2O],1,"InChI=1S/C10H13NO/c1-8(11-2)10(12)9-6-4-3-5-7-9/h3-8,11H,1-2H3",LPLLVINFLBSFRP-UHFFFAOYSA-N,R(+)-methcathinone,1576
rac 2-Hydroxy Ibuprofen,OC(C)(C)CC(C=C1)=CC=C1C(C(O)=O)C,C13H18O3,7.89,245.1148144,151.94,[M+Na],1,"InChI=1S/C13H18O3/c1-9(12(14)15)11-6-4-10(5-7-11)8-13(2,3)16/h4-7,9,16H,8H2,1-3H3,(H,14,15)",UJHKVYPPCJBOSG-UHFFFAOYSA-N,rac 2-Hydroxy Ibuprofen,10443535
Ractopamine,OC1=CC=C(C(CNC(C)CCC2=CC=C(O)C=C2)O)C=C1,C18H23NO3,3.17,300.1605136,168.35,[M-H],-1,"InChI=1S/C18H23NO3/c1-13(2-3-14-4-8-16(20)9-5-14)19-12-18(22)15-6-10-17(21)11-7-15/h4-11,13,18-22H,2-3,12H2,1H3",YJQZYXCXBBCEAQ-UHFFFAOYSA-N,Ractopamine,56052
Ractopamine,OC1=CC=C(C(CNC(C)CCC2=CC=C(O)C=C2)O)C=C1,C18H23NO3,3.33,302.1750736,170.44,[M+H],1,"InChI=1S/C18H23NO3/c1-13(2-3-14-4-8-16(20)9-5-14)19-12-18(22)15-6-10-17(21)11-7-15/h4-11,13,18-22H,2-3,12H2,1H3",YJQZYXCXBBCEAQ-UHFFFAOYSA-N,Ractopamine,56052
Raffinose,C([C@@H]1[C@@H]([C@@H]([C@H]([C@H](O1)OC[C@@H]2[C@H]([C@@H]([C@H]([C@H](O2)O[C@]3([C@H]([C@@H]([C@H](O3)CO)O)O)CO)O)O)O)O)O)O)O,C18H32O16,0.71,539.138435,211.76,[M+Cl],-1,"InChI=1S/C18H32O16/c19-1-5-8(22)11(25)13(27)16(31-5)30-3-7-9(23)12(26)14(28)17(32-7)34-18(4-21)15(29)10(24)6(2-20)33-18/h5-17,19-29H,1-4H2/t5-,6-,7-,8+,9-,10-,11+,12+,13-,14-,15+,16+,17-,18+/m1/s1",MUPFEKGTMRGPLJ-ZQSKZDJDSA-N,Raffinose,439242
Raffinose,C([C@@H]1[C@@H]([C@@H]([C@H]([C@H](O1)OC[C@@H]2[C@H]([C@@H]([C@H]([C@H](O2)O[C@]3([C@H]([C@@H]([C@H](O3)CO)O)O)CO)O)O)O)O)O)O)O,C18H32O16,0.71,549.167235,210.51,[M+HCOO],-1,"InChI=1S/C18H32O16/c19-1-5-8(22)11(25)13(27)16(31-5)30-3-7-9(23)12(26)14(28)17(32-7)34-18(4-21)15(29)10(24)6(2-20)33-18/h5-17,19-29H,1-4H2/t5-,6-,7-,8+,9-,10-,11+,12+,13-,14-,15+,16+,17-,18+/m1/s1",MUPFEKGTMRGPLJ-ZQSKZDJDSA-N,Raffinose,439242
RCS-4,O=C(C1=CC=C(OC)C=C1)C2=CN(CCCCC)C3=CC=CC=C23,C21H23NO2,12.87,322.180159,183.17,[M+H],1,"InChI=1S/C21H23NO2/c1-3-4-7-14-22-15-19(18-8-5-6-9-20(18)22)21(23)16-10-12-17(24-2)13-11-16/h5-6,8-13,15H,3-4,7,14H2,1-2H3",OZCYJKDWRUIFFE-UHFFFAOYSA-N,RCS-4,56841530
RCS-4,O=C(C1=CC=C(OC)C=C1)C2=CN(CCCCC)C3=CC=CC=C23,C21H23NO2,12.87,344.162099,201.64,[M+Na],1,"InChI=1S/C21H23NO2/c1-3-4-7-14-22-15-19(18-8-5-6-9-20(18)22)21(23)16-10-12-17(24-2)13-11-16/h5-6,8-13,15H,3-4,7,14H2,1-2H3",OZCYJKDWRUIFFE-UHFFFAOYSA-N,RCS-4,56841530
RCS-8,O=C(CC1=C(OC)C=CC=C1)C(C2=CC=CC=C32)=CN3CCC4CCCCC4,C25H29NO2,14.22,376.2271092,203.09,[M+H],1,"InChI=1S/C25H29NO2/c1-28-25-14-8-5-11-20(25)17-24(27)22-18-26(23-13-7-6-12-21(22)23)16-15-19-9-3-2-4-10-19/h5-8,11-14,18-19H,2-4,9-10,15-17H2,1H3",BSQFBMXCQIKYNI-UHFFFAOYSA-N,RCS-8,53394099
RCS-8,O=C(CC1=C(OC)C=CC=C1)C(C2=CC=CC=C32)=CN3CCC4CCCCC4,C25H29NO2,14.22,398.2090492,213.21,[M+Na],1,"InChI=1S/C25H29NO2/c1-28-25-14-8-5-11-20(25)17-24(27)22-18-26(23-13-7-6-12-21(22)23)16-15-19-9-3-2-4-10-19/h5-8,11-14,18-19H,2-4,9-10,15-17H2,1H3",BSQFBMXCQIKYNI-UHFFFAOYSA-N,RCS-8,53394099
Reduced haloperidol,ClC1=CC=C(C=C1)C2(CCN(CCCC(C(C=C3)=CC=C3F)O)CC2)O,C21H25ClFNO2,6.56,378.1630649,195.78,[M+H],1,"InChI=1S/C21H25ClFNO2/c22-18-7-5-17(6-8-18)21(26)11-14-24(15-12-21)13-1-2-20(25)16-3-9-19(23)10-4-16/h3-10,20,25-26H,1-2,11-15H2",WNZBBTJFOIOEMP-UHFFFAOYSA-N,Reduced haloperidol,119265
Reserpine,O=C([C@H]([C@H]1OC)[C@]2([H])[C@@](C[C@H]1OC(C(C=C3OC)=CC(OC)=C3OC)=O)([H])CN(CC4)[C@](C(NC5=C6)=C4C5=CC=C6OC)([H])C2)OC,C33H40N2O9,8.11,609.2806609,253.28,[M+H],1,"InChI=1S/C33H40N2O9/c1-38-19-7-8-20-21-9-10-35-16-18-13-27(44-32(36)17-11-25(39-2)30(41-4)26(12-17)40-3)31(42-5)28(33(37)43-6)22(18)15-24(35)29(21)34-23(20)14-19/h7-8,11-12,14,18,22,24,27-28,31,34H,9-10,13,15-16H2,1-6H3/t18-,22+,24-,27-,28+,31+/m1/s1",QEVHRUUCFGRFIF-MDEJGZGSSA-N,Reserpine,5770
Risperidone,FC1=CC2=C(C=C1)C(C3CCN(CCC4=C(C)N=C5N(CCCC5)C4=O)CC3)=NO2,C23H27FN4O2,5.42,411.2190843,205.77,[M+H],1,"InChI=1S/C23H27FN4O2/c1-15-18(23(29)28-10-3-2-4-21(28)25-15)9-13-27-11-7-16(8-12-27)22-19-6-5-17(24)14-20(19)30-26-22/h5-6,14,16H,2-4,7-13H2,1H3",RAPZEAPATHNIPO-UHFFFAOYSA-N,Risperidone,5073
Ritodrine,O[C@@H]([C@H](C)NCCC(C=C1)=CC=C1O)C(C=C2)=CC=C2O,C17H21NO3,2.02,286.1448635,163.25,[M-H],-1,"InChI=1S/C17H21NO3/c1-12(17(21)14-4-8-16(20)9-5-14)18-11-10-13-2-6-15(19)7-3-13/h2-9,12,17-21H,10-11H2,1H3/t12-,17-/m0/s1",IOVGROKTTNBUGK-SJCJKPOMSA-N,Ritodrine,33572
Ritodrine,O[C@@H]([C@H](C)NCCC(C=C1)=CC=C1O)C(C=C2)=CC=C2O,C17H21NO3,2.12,288.1594235,167.17,[M+H],1,"InChI=1S/C17H21NO3/c1-12(17(21)14-4-8-16(20)9-5-14)18-11-10-13-2-6-15(19)7-3-13/h2-9,12,17-21H,10-11H2,1H3/t12-,17-/m0/s1",IOVGROKTTNBUGK-SJCJKPOMSA-N,Ritodrine,33572
Ritodrine,O[C@@H]([C@H](C)NCCC(C=C1)=CC=C1O)C(C=C2)=CC=C2O,C17H21NO3,2.12,310.1413635,175.44,[M+Na],1,"InChI=1S/C17H21NO3/c1-12(17(21)14-4-8-16(20)9-5-14)18-11-10-13-2-6-15(19)7-3-13/h2-9,12,17-21H,10-11H2,1H3/t12-,17-/m0/s1",IOVGROKTTNBUGK-SJCJKPOMSA-N,Ritodrine,33572
Robenidine,ClC1=CC=C(/C=N/NC(N/N=C/C(C=C2)=CC=C2Cl)=N)C=C1,C15H13Cl2N5,9.29,332.0475208,187.59,[M-H],-1,"InChI=1S/C15H13Cl2N5/c16-13-5-1-11(2-6-13)9-19-21-15(18)22-20-10-12-3-7-14(17)8-4-12/h1-10H,(H3,18,21,22)/b19-9+,20-10+",MOOFYEJFXBSZGE-LQGKIZFRSA-N,Robenidine,9570438
Robenidine,ClC1=CC=C(/C=N/NC(N/N=C/C(C=C2)=CC=C2Cl)=N)C=C1,C15H13Cl2N5,9.52,334.0620808,189.05,[M+H],1,"InChI=1S/C15H13Cl2N5/c16-13-5-1-11(2-6-13)9-19-21-15(18)22-20-10-12-3-7-14(17)8-4-12/h1-10H,(H3,18,21,22)/b19-9+,20-10+",MOOFYEJFXBSZGE-LQGKIZFRSA-N,Robenidine,9570438
Ronidazole,[O-][N+](C1=CN=C(COC(N)=O)N1C)=O,C6H8N4O4,1.8,201.0618348,136.63,[M+H],1,"InChI=1S/C6H8N4O4/c1-9-4(3-14-6(7)11)8-2-5(9)10(12)13/h2H,3H2,1H3,(H2,7,11)",PQFRTXSWDXZRRS-UHFFFAOYSA-N,Ronidazole,5094
Ronidazole,[O-][N+](C1=CN=C(COC(N)=O)N1C)=O,C6H8N4O4,1.8,223.0437748,148.35,[M+Na],1,"InChI=1S/C6H8N4O4/c1-9-4(3-14-6(7)11)8-2-5(9)10(12)13/h2H,3H2,1H3,(H2,7,11)",PQFRTXSWDXZRRS-UHFFFAOYSA-N,Ronidazole,5094
Roxithromycin,O[C@@](C[C@@H](C)/C1=N\OCOCCOC)(C)[C@@H]([C@@H](C)[C@@H]([C@@H](C)C(O[C@H](CC)[C@@]([C@@H]([C@H]1C)O)(C)O)=O)O[C@@H]2O[C@@H](C)[C@@H]([C@](C2)(C)OC)O)O[C@@H]([C@@H]3O)O[C@H](C)C[C@@H]3N(C)C,C41H76N2O15,9.43,837.5318498,282.33,[M+H],1,"InChI=1S/C41H76N2O15/c1-15-29-41(10,49)34(45)24(4)31(42-53-21-52-17-16-50-13)22(2)19-39(8,48)36(58-38-32(44)28(43(11)12)18-23(3)54-38)25(5)33(26(6)37(47)56-29)57-30-20-40(9,51-14)35(46)27(7)55-30/h22-30,32-36,38,44-46,48-49H,15-21H2,1-14H3/b42-31+/t22-,23-,24+,25+,26-,27+,28+,29-,30+,32-,33+,34-,35+,36-,38+,39-,40-,41-/m1/s1",RXZBMPWDPOLZGW-XMRMVWPWSA-N,Roxithromycin,6915744
Roxithromycin,O[C@@](C[C@@H](C)/C1=N\OCOCCOC)(C)[C@@H]([C@@H](C)[C@@H]([C@@H](C)C(O[C@H](CC)[C@@]([C@@H]([C@H]1C)O)(C)O)=O)O[C@@H]2O[C@@H](C)[C@@H]([C@](C2)(C)OC)O)O[C@@H]([C@@H]3O)O[C@H](C)C[C@@H]3N(C)C,C41H76N2O15,9.43,859.5137898,285.66,[M+Na],1,"InChI=1S/C41H76N2O15/c1-15-29-41(10,49)34(45)24(4)31(42-53-21-52-17-16-50-13)22(2)19-39(8,48)36(58-38-32(44)28(43(11)12)18-23(3)54-38)25(5)33(26(6)37(47)56-29)57-30-20-40(9,51-14)35(46)27(7)55-30/h22-30,32-36,38,44-46,48-49H,15-21H2,1-14H3/b42-31+/t22-,23-,24+,25+,26-,27+,28+,29-,30+,32-,33+,34-,35+,36-,38+,39-,40-,41-/m1/s1",RXZBMPWDPOLZGW-XMRMVWPWSA-N,Roxithromycin,6915744
Salbutamol,OC(C(C=C1)=CC(CO)=C1O)CNC(C)(C)C,C13H21NO3,1.32,238.1448635,166.6,[M-H],-1,"InChI=1S/C13H21NO3/c1-13(2,3)14-7-12(17)9-4-5-11(16)10(6-9)8-15/h4-6,12,14-17H,7-8H2,1-3H3",NDAUXUAQIAJITI-UHFFFAOYSA-N,Salbutamol,2083
Salbutamol,OC(C(C=C1)=CC(CO)=C1O)CNC(C)(C)C,C13H21NO3,1.41,240.1594235,159.93,[M+H],1,"InChI=1S/C13H21NO3/c1-13(2,3)14-7-12(17)9-4-5-11(16)10(6-9)8-15/h4-6,12,14-17H,7-8H2,1-3H3",NDAUXUAQIAJITI-UHFFFAOYSA-N,Salbutamol,2083
Salicylic acid,c1ccc(c(c1)C(=O)O)O,C7H6O3,4.85,137.0244141,119.65,[M-H],-1,"InChI=1S/C7H6O3/c8-6-4-2-1-3-5(6)7(9)10/h1-4,8H,(H,9,10)",YGSDEFSMJLZEOE-UHFFFAOYSA-N,Salicylic acid,338
Salinomycin,O[C@H]1[C@](O[C@]2(C)[C@](CC3)([H])O[C@@H](C)[C@]3(CC)O)(CC2)O[C@]4(C=C1)O[C@@]([C@@H](CC)C([C@@H](C)[C@H]([C@H](C)[C@]([C@@H](C)CC5)([H])O[C@@]5([H])[C@@H](CC)C(O)=O)O)=O)([H])[C@@H](C)C[C@H]4C,C42H70O11,15.55,749.4845331,268.38,[M-H],-1,"InChI=1S/C42H70O11/c1-11-29(38(46)47)31-15-14-23(4)36(50-31)27(8)34(44)26(7)35(45)30(12-2)37-24(5)22-25(6)41(51-37)19-16-32(43)42(53-41)21-20-39(10,52-42)33-17-18-40(48,13-3)28(9)49-33/h16,19,23-34,36-37,43-44,48H,11-15,17-18,20-22H2,1-10H3,(H,46,47)/t23-,24-,25+,26-,27-,28-,29+,30-,31+,32+,33+,34+,36+,37-,39-,40+,41-,42-/m0/s1",KQXDHUJYNAXLNZ-XQSDOZFQSA-N,Salinomycin,3085092
Salinomycin,O[C@H]1[C@](O[C@]2(C)[C@](CC3)([H])O[C@@H](C)[C@]3(CC)O)(CC2)O[C@]4(C=C1)O[C@@]([C@@H](CC)C([C@@H](C)[C@H]([C@H](C)[C@]([C@@H](C)CC5)([H])O[C@@]5([H])[C@@H](CC)C(O)=O)O)=O)([H])[C@@H](C)C[C@H]4C,C42H70O11,15.75,773.4810331,266.44,[M+Na],1,"InChI=1S/C42H70O11/c1-11-29(38(46)47)31-15-14-23(4)36(50-31)27(8)34(44)26(7)35(45)30(12-2)37-24(5)22-25(6)41(51-37)19-16-32(43)42(53-41)21-20-39(10,52-42)33-17-18-40(48,13-3)28(9)49-33/h16,19,23-34,36-37,43-44,48H,11-15,17-18,20-22H2,1-10H3,(H,46,47)/t23-,24-,25+,26-,27-,28-,29+,30-,31+,32+,33+,34+,36+,37-,39-,40+,41-,42-/m0/s1",KQXDHUJYNAXLNZ-XQSDOZFQSA-N,Salinomycin,3085092
Sarafloxacin protomer I,FC1=CC=C(N2C=C(C(C3=CC(F)=C(N4CCNCC4)C=C23)=O)C(O)=O)C=C1,C20H17F2N3O3,3.94,386.1310777,187.09,[M+H],1,"InChI=1S/C20H17F2N3O3/c21-12-1-3-13(4-2-12)25-11-15(20(27)28)19(26)14-9-16(22)18(10-17(14)25)24-7-5-23-6-8-24/h1-4,9-11,23H,5-8H2,(H,27,28)",XBHBWNFJWIASRO-UHFFFAOYSA-N,Sarafloxacin protomer I,56208
Sarafloxacin protomer II,FC1=CC=C(N2C=C(C(C3=CC(F)=C(N4CCNCC4)C=C23)=O)C(O)=O)C=C1,C20H17F2N3O3,3.94,386.1310777,202,[M+H],1,"InChI=1S/C20H17F2N3O3/c21-12-1-3-13(4-2-12)25-11-15(20(27)28)19(26)14-9-16(22)18(10-17(14)25)24-7-5-23-6-8-24/h1-4,9-11,23H,5-8H2,(H,27,28)",XBHBWNFJWIASRO-UHFFFAOYSA-N,Sarafloxacin protomer II,56208
Sarafloxacin protomer II,FC1=CC=C(N2C=C(C(C3=CC(F)=C(N4CCNCC4)C=C23)=O)C(O)=O)C=C1,C20H17F2N3O3,3.94,408.1130177,203.4,[M+Na],1,"InChI=1S/C20H17F2N3O3/c21-12-1-3-13(4-2-12)25-11-15(20(27)28)19(26)14-9-16(22)18(10-17(14)25)24-7-5-23-6-8-24/h1-4,9-11,23H,5-8H2,(H,27,28)",XBHBWNFJWIASRO-UHFFFAOYSA-N,Sarafloxacin protomer II,56208
Simazine,ClC1=NC(NCC)=NC(NCC)=N1,C7H12ClN5,7.01,202.0854031,143,[M+H],1,"InChI=1S/C7H12ClN5/c1-3-9-6-11-5(8)12-7(13-6)10-4-2/h3-4H2,1-2H3,(H2,9,10,11,12,13)",ODCWYMIRDDJXKW-UHFFFAOYSA-N,Simazine,5216
Simvastatin,O=C(C(C)(C)CC)O[C@@H]1[C@@H]2[C@@H](CC[C@H](C[C@H]3O)OC(C3)=O)[C@@H](C)C=CC2=C[C@H](C)C1,C25H38O5,13.56,441.2611443,207,[M+Na],1,"InChI=1S/C25H38O5/c1-6-25(4,5)24(28)30-21-12-15(2)11-17-8-7-16(3)20(23(17)21)10-9-19-13-18(26)14-22(27)29-19/h7-8,11,15-16,18-21,23,26H,6,9-10,12-14H2,1-5H3/t15-,16-,18+,19+,20-,21-,23-/m0/s1",RYMZZMVNJRMUDD-HGQWONQESA-N,Simvastatin,54454
Spinosyn A,O=C([C@@H]1C)C2=C[C@]([C@@](C[C@@H]3O[C@@H]([C@@H]([C@@H]4OC)OC)O[C@@H](C)[C@@H]4OC)([H])[C@](C3)([H])C=C5)([H])[C@]5([H])[C@]2([H])CC(O[C@@H](CC)CCC[C@@H]1O[C@@H](CC6)O[C@H](C)[C@H]6N(C)C)=O,C41H65NO10,11.01,732.4681273,271.5,[M+H],1,"InChI=1S/C41H65NO10/c1-10-26-12-11-13-34(52-36-17-16-33(42(5)6)23(3)48-36)22(2)37(44)32-20-30-28(31(32)21-35(43)50-26)15-14-25-18-27(19-29(25)30)51-41-40(47-9)39(46-8)38(45-7)24(4)49-41/h14-15,20,22-31,33-34,36,38-41H,10-13,16-19,21H2,1-9H3/t22-,23-,24+,25-,26+,27-,28-,29-,30-,31+,33+,34+,36+,38+,39-,40-,41+/m1/s1",SRJQTHAZUNRMPR-UYQKXTDMSA-N,Spinosyn A,443059
Spinosyn D,O=C([C@@H]1C)C2=C[C@]([C@@](C[C@@H]3O[C@@H]([C@@H]([C@@H]4OC)OC)O[C@@H](C)[C@@H]4OC)([H])[C@](C3)([H])C(C)=C5)([H])[C@]5([H])[C@]2([H])CC(O[C@@H](CC)CCC[C@@H]1O[C@@H](CC6)O[C@H](C)[C@H]6N(C)C)=O,C42H67NO10,11.45,746.4837774,274.48,[M+H],1,"InChI=1S/C42H67NO10/c1-11-26-13-12-14-35(53-37-16-15-34(43(6)7)24(4)49-37)23(3)38(45)33-20-31-29(32(33)21-36(44)51-26)17-22(2)28-18-27(19-30(28)31)52-42-41(48-10)40(47-9)39(46-8)25(5)50-42/h17,20,23-32,34-35,37,39-42H,11-16,18-19,21H2,1-10H3/t23-,24-,25+,26+,27-,28+,29-,30-,31-,32+,34+,35+,37+,39+,40-,41-,42+/m1/s1",RDECBWLKMPEKPM-PSCJHHPTSA-N,Spinosyn D,183094
Spiramycin,O[C@@H]([C@H](O[C@H]([C@H]([C@@H](CC(O[C@H](C)C/C=C/C=C/1)=O)O)OC)[C@@H](CC=O)C[C@@H](C)[C@H]1O[C@@H](CC2)O[C@@H](C)[C@H]2N(C)C)O[C@@H]3C)[C@H]([C@@H]3O[C@@H](C4)O[C@@H](C)[C@@H]([C@]4(C)O)O)N(C)C,C43H74N2O14,5.44,843.5212851,332.16,[M+H],1,"InChI=1S/C43H74N2O14/c1-24-21-29(19-20-46)39(59-42-37(49)36(45(9)10)38(27(4)56-42)58-35-23-43(6,51)41(50)28(5)55-35)40(52-11)31(47)22-33(48)53-25(2)15-13-12-14-16-32(24)57-34-18-17-30(44(7)8)26(3)54-34/h12-14,16,20,24-32,34-42,47,49-51H,15,17-19,21-23H2,1-11H3/b13-12+,16-14+/t24-,25-,26+,27-,28+,29+,30+,31-,32+,34+,35+,36-,37-,38-,39+,40+,41+,42+,43-/m1/s1",ACTOXUHEUCPTEW-KWBWCIJSSA-N,Spiramycin,6440717
Spiromesifen,O=C1OC2(CCCC2)C(OC(CC(C)(C)C)=O)=C1C3=C(C)C=C(C)C=C3C,C23H30O4,13.84,393.2036294,203.33,[M+Na],1,"InChI=1S/C23H30O4/c1-14-11-15(2)18(16(3)12-14)19-20(26-17(24)13-22(4,5)6)23(27-21(19)25)9-7-8-10-23/h11-12H,7-10,13H2,1-6H3",GOLXNESZZPUPJE-UHFFFAOYSA-N,Spiromesifen,9907412
Spiroxamine isomer I,CC(C)(C)C1CCC2(CC1)OC(CN(CC)CCC)CO2,C18H35NO2,8.75,298.2740594,182.87,[M+H],1,"InChI=1S/C18H35NO2/c1-6-12-19(7-2)13-16-14-20-18(21-16)10-8-15(9-11-18)17(3,4)5/h15-16H,6-14H2,1-5H3",PUYXTUJWRLOUCW-UHFFFAOYSA-N,Spiroxamine isomer I,86160
Spiroxamine isomer II,CC(C)(C)C1CCC2(CC1)OC(CN(CC)CCC)CO2,C18H35NO2,8.87,298.2740594,182.9,[M+H],1,"InChI=1S/C18H35NO2/c1-6-12-19(7-2)13-16-14-20-18(21-16)10-8-15(9-11-18)17(3,4)5/h15-16H,6-14H2,1-5H3",PUYXTUJWRLOUCW-UHFFFAOYSA-N,Spiroxamine isomer II,86160
Sucralose,C([C@@H]1[C@@H]([C@@H]([C@H]([C@H](O1)O[C@]2([C@H]([C@@H]([C@H](O2)CCl)O)O)CCl)O)O)Cl)O,C12H19Cl3O8,3.61,395.0072707,179.16,[M-H],-1,"InChI=1S/C12H19Cl3O8/c13-1-4-7(17)10(20)12(3-14,22-4)23-11-9(19)8(18)6(15)5(2-16)21-11/h4-11,16-20H,1-3H2/t4-,5-,6+,7-,8+,9-,10+,11-,12+/m1/s1",BAQAVOSOZGMPRM-QBMZZYIRSA-N,Sucralose,71485
Sulfacetamide,CC(NS(=O)(C1=CC=C(N)C=C1)=O)=O,C8H10N2O3S,1.44,213.0339334,145.88,[M-H],-1,"InChI=1S/C8H10N2O3S/c1-6(11)10-14(12,13)8-4-2-7(9)3-5-8/h2-5H,9H2,1H3,(H,10,11)",SKIVFJLNDNKQPD-UHFFFAOYSA-N,Sulfacetamide,5320
Sulfacetamide,CC(NS(=O)(C1=CC=C(N)C=C1)=O)=O,C8H10N2O3S,1.44,215.0484934,141.21,[M+H],1,"InChI=1S/C8H10N2O3S/c1-6(11)10-14(12,13)8-4-2-7(9)3-5-8/h2-5H,9H2,1H3,(H,10,11)",SKIVFJLNDNKQPD-UHFFFAOYSA-N,Sulfacetamide,5320
Sulfacetamide,CC(NS(=O)(C1=CC=C(N)C=C1)=O)=O,C8H10N2O3S,1.44,237.0304334,152.76,[M+Na],1,"InChI=1S/C8H10N2O3S/c1-6(11)10-14(12,13)8-4-2-7(9)3-5-8/h2-5H,9H2,1H3,(H,10,11)",SKIVFJLNDNKQPD-UHFFFAOYSA-N,Sulfacetamide,5320
Sulfadiazine,NC1=CC=C(S(=O)(NC2=NC=CC=N2)=O)C=C1,C10H10N4O2S,1.8,249.0451668,155.43,[M-H],-1,"InChI=1S/C10H10N4O2S/c11-8-2-4-9(5-3-8)17(15,16)14-10-12-6-1-7-13-10/h1-7H,11H2,(H,12,13,14)",SEEPANYCNGTZFQ-UHFFFAOYSA-N,Sulfadiazine,5215
Sulfadiazine,NC1=CC=C(S(=O)(NC2=NC=CC=N2)=O)C=C1,C10H10N4O2S,1.77,251.0597268,151.96,[M+H],1,"InChI=1S/C10H10N4O2S/c11-8-2-4-9(5-3-8)17(15,16)14-10-12-6-1-7-13-10/h1-7H,11H2,(H,12,13,14)",SEEPANYCNGTZFQ-UHFFFAOYSA-N,Sulfadiazine,5215
Sulfadiazine,NC1=CC=C(S(=O)(NC2=NC=CC=N2)=O)C=C1,C10H10N4O2S,1.77,273.0416668,160.64,[M+Na],1,"InChI=1S/C10H10N4O2S/c11-8-2-4-9(5-3-8)17(15,16)14-10-12-6-1-7-13-10/h1-7H,11H2,(H,12,13,14)",SEEPANYCNGTZFQ-UHFFFAOYSA-N,Sulfadiazine,5215
Sulfadoxine,COc1c(ncnc1OC)NS(=O)(=O)c2ccc(cc2)N,C12H14N4O4S,4.08,309.0662961,173.22,[M-H],-1,"InChI=1S/C12H14N4O4S/c1-19-10-11(14-7-15-12(10)20-2)16-21(17,18)9-5-3-8(13)4-6-9/h3-7H,13H2,1-2H3,(H,14,15,16)",PJSFRIWCGOHTNF-UHFFFAOYSA-N,Sulfadoxine,17134
Sulfamerazine,O=S(NC1=NC(C)=CC=N1)(C(C=C2)=CC=C2N)=O,C11H12N4O2S,2.48,263.0608168,161.33,[M-H],-1,"InChI=1S/C11H12N4O2S/c1-8-6-7-13-11(14-8)15-18(16,17)10-4-2-9(12)3-5-10/h2-7H,12H2,1H3,(H,13,14,15)",QPPBRPIAZZHUNT-UHFFFAOYSA-N,Sulfamerazine,5325
Sulfamerazine,O=S(NC1=NC(C)=CC=N1)(C(C=C2)=CC=C2N)=O,C11H12N4O2S,2.45,265.0753768,157.53,[M+H],1,"InChI=1S/C11H12N4O2S/c1-8-6-7-13-11(14-8)15-18(16,17)10-4-2-9(12)3-5-10/h2-7H,12H2,1H3,(H,13,14,15)",QPPBRPIAZZHUNT-UHFFFAOYSA-N,Sulfamerazine,5325
Sulfamethazine,O=S(C1=CC=C(C=C1)N)(NC2=NC(C)=CC(C)=N2)=O,C12H14N4O2S,3.2,277.0764669,167.04,[M-H],-1,"InChI=1S/C12H14N4O2S/c1-8-7-9(2)15-12(14-8)16-19(17,18)11-5-3-10(13)4-6-11/h3-7H,13H2,1-2H3,(H,14,15,16)",ASWVTGNCAZCNNR-UHFFFAOYSA-N,Sulfamethazine,5327
Sulfamethazine,O=S(C1=CC=C(C=C1)N)(NC2=NC(C)=CC(C)=N2)=O,C12H14N4O2S,3.15,279.0910269,162.73,[M+H],1,"InChI=1S/C12H14N4O2S/c1-8-7-9(2)15-12(14-8)16-19(17,18)11-5-3-10(13)4-6-11/h3-7H,13H2,1-2H3,(H,14,15,16)",ASWVTGNCAZCNNR-UHFFFAOYSA-N,Sulfamethazine,5327
Sulfamethazine,O=S(C1=CC=C(C=C1)N)(NC2=NC(C)=CC(C)=N2)=O,C12H14N4O2S,3.15,301.0729669,170.54,[M+Na],1,"InChI=1S/C12H14N4O2S/c1-8-7-9(2)15-12(14-8)16-19(17,18)11-5-3-10(13)4-6-11/h3-7H,13H2,1-2H3,(H,14,15,16)",ASWVTGNCAZCNNR-UHFFFAOYSA-N,Sulfamethazine,5327
Sulfamethoxazole,O=S(NC1=NOC(C)=C1)(C(C=C2)=CC=C2N)=O,C10H11N3O3S,3.72,252.0448324,158.52,[M-H],-1,"InChI=1S/C10H11N3O3S/c1-7-6-10(12-16-7)13-17(14,15)9-4-2-8(11)3-5-9/h2-6H,11H2,1H3,(H,12,13)",JLKIGFTWXXRPMT-UHFFFAOYSA-N,Sulfamethoxazole,5329
Sulfamethoxazole,O=S(NC1=NOC(C)=C1)(C(C=C2)=CC=C2N)=O,C10H11N3O3S,3.73,254.0593924,152.61,[M+H],1,"InChI=1S/C10H11N3O3S/c1-7-6-10(12-16-7)13-17(14,15)9-4-2-8(11)3-5-9/h2-6H,11H2,1H3,(H,12,13)",JLKIGFTWXXRPMT-UHFFFAOYSA-N,Sulfamethoxazole,5329
Sulfamethoxazole,O=S(NC1=NOC(C)=C1)(C(C=C2)=CC=C2N)=O,C10H11N3O3S,3.73,276.0413324,162.88,[M+Na],1,"InChI=1S/C10H11N3O3S/c1-7-6-10(12-16-7)13-17(14,15)9-4-2-8(11)3-5-9/h2-6H,11H2,1H3,(H,12,13)",JLKIGFTWXXRPMT-UHFFFAOYSA-N,Sulfamethoxazole,5329
Sulfapyridine,O=S(NC1=CC=CC=N1)(C(C=C2)=CC=C2N)=O,C11H11N3O2S,2.28,248.0499178,156.54,[M-H],-1,"InChI=1S/C11H11N3O2S/c12-9-4-6-10(7-5-9)17(15,16)14-11-3-1-2-8-13-11/h1-8H,12H2,(H,13,14)",GECHUMIMRBOMGK-UHFFFAOYSA-N,Sulfapyridine,5336
Sulfapyridine,O=S(NC1=CC=CC=N1)(C(C=C2)=CC=C2N)=O,C11H11N3O2S,2.24,250.0644778,152.7,[M+H],1,"InChI=1S/C11H11N3O2S/c12-9-4-6-10(7-5-9)17(15,16)14-11-3-1-2-8-13-11/h1-8H,12H2,(H,13,14)",GECHUMIMRBOMGK-UHFFFAOYSA-N,Sulfapyridine,5336
Sulfaquinoxaline,O=S(NC1=NC(C=CC=C2)=C2N=C1)(C(C=C3)=CC=C3N)=O,C14H12N4O2S,5.72,299.0608168,168.94,[M-H],-1,"InChI=1S/C14H12N4O2S/c15-10-5-7-11(8-6-10)21(19,20)18-14-9-16-12-3-1-2-4-13(12)17-14/h1-9H,15H2,(H,17,18)",NHZLNPMOSADWGC-UHFFFAOYSA-N,Sulfaquinoxaline,5338
Sulfaquinoxaline,O=S(NC1=NC(C=CC=C2)=C2N=C1)(C(C=C3)=CC=C3N)=O,C14H12N4O2S,5.75,301.0753768,166.68,[M+H],1,"InChI=1S/C14H12N4O2S/c15-10-5-7-11(8-6-10)21(19,20)18-14-9-16-12-3-1-2-4-13(12)17-14/h1-9H,15H2,(H,17,18)",NHZLNPMOSADWGC-UHFFFAOYSA-N,Sulfaquinoxaline,5338
Sulfathiazole,NC1=CC=C(S(=O)(NC2=NC=CS2)=O)C=C1,C9H9N3O2S2,2.05,254.0063389,153.81,[M-H],-1,"InChI=1S/C9H9N3O2S2/c10-7-1-3-8(4-2-7)16(13,14)12-9-11-5-6-15-9/h1-6H,10H2,(H,11,12)",JNMRHUJNCSQMMB-UHFFFAOYSA-N,Sulfathiazole,5340
Sulfathiazole,NC1=CC=C(S(=O)(NC2=NC=CS2)=O)C=C1,C9H9N3O2S2,2.02,256.0208989,151.7,[M+H],1,"InChI=1S/C9H9N3O2S2/c10-7-1-3-8(4-2-7)16(13,14)12-9-11-5-6-15-9/h1-6H,10H2,(H,11,12)",JNMRHUJNCSQMMB-UHFFFAOYSA-N,Sulfathiazole,5340
Sulfathiazole,NC1=CC=C(S(=O)(NC2=NC=CS2)=O)C=C1,C9H9N3O2S2,2.02,278.0028389,164.56,[M+Na],1,"InChI=1S/C9H9N3O2S2/c10-7-1-3-8(4-2-7)16(13,14)12-9-11-5-6-15-9/h1-6H,10H2,(H,11,12)",JNMRHUJNCSQMMB-UHFFFAOYSA-N,Sulfathiazole,5340
Sulprofos ,S=P(OC(C=C1)=CC=C1SC)(OCC)SCCC,C12H19O2PS3,13.79,323.0357604,170.03,[M+H],1,"InChI=1S/C12H19O2PS3/c1-4-10-18-15(16,13-5-2)14-11-6-8-12(17-3)9-7-11/h6-9H,4-5,10H2,1-3H3",JXHJNEJVUNHLKO-UHFFFAOYSA-N,Sulprofos ,37125
Sulprofos ,S=P(OC(C=C1)=CC=C1SC)(OCC)SCCC,C12H19O2PS3,13.79,345.0177004,180.27,[M+Na],1,"InChI=1S/C12H19O2PS3/c1-4-10-18-15(16,13-5-2)14-11-6-8-12(17-3)9-7-11/h6-9H,4-5,10H2,1-3H3",JXHJNEJVUNHLKO-UHFFFAOYSA-N,Sulprofos ,37125
T2 toxin,CC(OC[C@]12C[C@H](OC(CC(C)C)=O)C(C)=C[C@@]1([H])O[C@H]3[C@]4(OC4)[C@]2(C)[C@H](OC(C)=O)[C@H]3O)=O,C24H34O9,9.89,489.2095027,212.51,[M+Na],1,"InChI=1S/C24H34O9/c1-12(2)7-18(27)32-16-9-23(10-29-14(4)25)17(8-13(16)3)33-21-19(28)20(31-15(5)26)22(23,6)24(21)11-30-24/h8,12,16-17,19-21,28H,7,9-11H2,1-6H3/t16-,17+,19+,20+,21+,22+,23+,24-/m0/s1",BXFOFFBJRFZBQZ-QYWOHJEZSA-N,T2 toxin,5284461
tau-Fluvalinate,CC(C)[C@H](C(=O)OC(C#N)c1cccc(c1)Oc2ccccc2)Nc3ccc(cc3Cl)C(F)(F)F,C26H22ClF3N2O3,15.92,537.0965048,220.53,[M+Cl],-1,"InChI=1S/C26H22ClF3N2O3/c1-16(2)24(32-22-12-11-18(14-21(22)27)26(28,29)30)25(33)35-23(15-31)17-7-6-10-20(13-17)34-19-8-4-3-5-9-19/h3-14,16,23-24,32H,1-2H3/t23?,24-/m1/s1",INISTDXBRIBGOC-XMMISQBUSA-N,tau-Fluvalinate,91768
Tebuconazole,OC(C(C)(C)C)(CCC1=CC=C(Cl)C=C1)CN2N=CN=C2,C16H22ClN3O,11.67,342.11454,183.95,[M+Cl],-1,"InChI=1S/C16H22ClN3O/c1-15(2,3)16(21,10-20-12-18-11-19-20)9-8-13-4-6-14(17)7-5-13/h4-7,11-12,21H,8-10H2,1-3H3",PXMNMQRDXWABCY-UHFFFAOYSA-N,Tebuconazole,86102
Tebuconazole,OC(C(C)(C)C)(CCC1=CC=C(Cl)C=C1)CN2N=CN=C2,C16H22ClN3O,11.67,352.14334,186.61,[M+HCOO],-1,"InChI=1S/C16H22ClN3O/c1-15(2,3)16(21,10-20-12-18-11-19-20)9-8-13-4-6-14(17)7-5-13/h4-7,11-12,21H,8-10H2,1-3H3",PXMNMQRDXWABCY-UHFFFAOYSA-N,Tebuconazole,86102
Tebuconazole,OC(C(C)(C)C)(CCC1=CC=C(Cl)C=C1)CN2N=CN=C2,C16H22ClN3O,11.7,308.15242,166.8,[M+H],1,"InChI=1S/C16H22ClN3O/c1-15(2,3)16(21,10-20-12-18-11-19-20)9-8-13-4-6-14(17)7-5-13/h4-7,11-12,21H,8-10H2,1-3H3",PXMNMQRDXWABCY-UHFFFAOYSA-N,Tebuconazole,86102
Tebufenozide,O=C(C1=CC(C)=CC(C)=C1)N(C(C)(C)C)NC(C2=CC=C(CC)C=C2)=O,C22H28N2O2,11.42,375.2042982,202.78,[M+Na],1,"InChI=1S/C22H28N2O2/c1-7-17-8-10-18(11-9-17)20(25)23-24(22(4,5)6)21(26)19-13-15(2)12-16(3)14-19/h8-14H,7H2,1-6H3,(H,23,25)",QYPNKSZPJQQLRK-UHFFFAOYSA-N,Tebufenozide,91773
Tebufenpyrad,O=C(C1=C(C(CC)=NN1C)Cl)NCC2=CC=C(C=C2)C(C)(C)C,C18H24ClN3O,13.18,334.1680701,193.63,[M+H],1,"InChI=1S/C18H24ClN3O/c1-6-14-15(19)16(22(5)21-14)17(23)20-11-12-7-9-13(10-8-12)18(2,3)4/h7-10H,6,11H2,1-5H3,(H,20,23)",ZZYSLNWGKKDOML-UHFFFAOYSA-N,Tebufenpyrad,86354
Tebufenpyrad,O=C(C1=C(C(CC)=NN1C)Cl)NCC2=CC=C(C=C2)C(C)(C)C,C18H24ClN3O,13.18,356.1500101,194.44,[M+Na],1,"InChI=1S/C18H24ClN3O/c1-6-14-15(19)16(22(5)21-14)17(23)20-11-12-7-9-13(10-8-12)18(2,3)4/h7-10H,6,11H2,1-5H3,(H,20,23)",ZZYSLNWGKKDOML-UHFFFAOYSA-N,Tebufenpyrad,86354
Teflubenzuron,ClC(C=C1NC(NC(C2=C(F)C=CC=C2F)=O)=O)=C(C(Cl)=C1F)F,C14H6Cl2F4N2O2,13.28,380.9815255,170.57,[M+H],1,"InChI=1S/C14H6Cl2F4N2O2/c15-5-4-8(12(20)10(16)11(5)19)21-14(24)22-13(23)9-6(17)2-1-3-7(9)18/h1-4H,(H2,21,22,23,24)",CJDWRQLODFKPEL-UHFFFAOYSA-N,Teflubenzuron,91734
Teflubenzuron,ClC(C=C1NC(NC(C2=C(F)C=CC=C2F)=O)=O)=C(C(Cl)=C1F)F,C14H6Cl2F4N2O2,13.28,402.9634655,185.79,[M+Na],1,"InChI=1S/C14H6Cl2F4N2O2/c15-5-4-8(12(20)10(16)11(5)19)21-14(24)22-13(23)9-6(17)2-1-3-7(9)18/h1-4H,(H2,21,22,23,24)",CJDWRQLODFKPEL-UHFFFAOYSA-N,Teflubenzuron,91734
Telmisartan,O=C(O)C1=CC=CC=C1C2=CC=C(C=C2)CN3C4=CC(C5=NC6=CC=CC=C6N5C)=CC(C)=C4N=C3CCC,C33H30N4O2,9.92,513.2295962,242.47,[M-H],-1,"InChI=1S/C33H30N4O2/c1-4-9-30-35-31-21(2)18-24(32-34-27-12-7-8-13-28(27)36(32)3)19-29(31)37(30)20-22-14-16-23(17-15-22)25-10-5-6-11-26(25)33(38)39/h5-8,10-19H,4,9,20H2,1-3H3,(H,38,39)",RMMXLENWKUUMAY-UHFFFAOYSA-N,Telmisartan,65999
Telmisartan,O=C(O)C1=CC=CC=C1C2=CC=C(C=C2)CN3C4=CC(C5=NC6=CC=CC=C6N5C)=CC(C)=C4N=C3CCC,C33H30N4O2,9.6,515.2441562,232.32,[M+H],1,"InChI=1S/C33H30N4O2/c1-4-9-30-35-31-21(2)18-24(32-34-27-12-7-8-13-28(27)36(32)3)19-29(31)37(30)20-22-14-16-23(17-15-22)25-10-5-6-11-26(25)33(38)39/h5-8,10-19H,4,9,20H2,1-3H3,(H,38,39)",RMMXLENWKUUMAY-UHFFFAOYSA-N,Telmisartan,65999
Tepraloxydim,Cl/C=C/CO/N=C(CC)/C(C(CC(C1CCOCC1)C2)=O)=C2O,C17H24ClNO4,10.74,306.13786,190.45,[M-H],-1,"InChI=1S/C17H24ClNO4/c1-2-14(19-23-7-3-6-18)17-15(20)10-13(11-16(17)21)12-4-8-22-9-5-12/h3,6,12-13,20H,2,4-5,7-11H2,1H3/b6-3+,19-14+",IOYNQIMAUDJVEI-BMVIKAAMSA-N,Tepraloxydim,135585373
Tepraloxydim,Cl/C=C/CO/N=C(CC)/C(C(CC(C1CCOCC1)C2)=O)=C2O,C17H24ClNO4,10.77,342.146666,186.27,[M+H],1,"InChI=1S/C17H24ClNO4/c1-2-14(19-23-7-3-6-18)17-15(20)10-13(11-16(17)21)12-4-8-22-9-5-12/h3,6,12-13,20H,2,4-5,7-11H2,1H3/b6-3+,19-14+",IOYNQIMAUDJVEI-BMVIKAAMSA-N,Tepraloxydim,135585373
Terbacil,Cc1c(c(=O)n(c(=O)[nH]1)C(C)(C)C)Cl,C9H13ClN2O2,7.3,215.0592754,146.51,[M-H],-1,"InChI=1S/C9H13ClN2O2/c1-5-6(10)7(13)12(8(14)11-5)9(2,3)4/h1-4H3,(H,11,14)",NBQCNZYJJMBDKY-UHFFFAOYSA-N,Terbacil,22188
Terbufos,S=P(OCC)(OCC)SCSC(C)(C)C,C9H21O2PS3,13.3,311.0333504,166.27,[M+Na],1,"InChI=1S/C9H21O2PS3/c1-6-10-12(13,11-7-2)15-8-14-9(3,4)5/h6-8H2,1-5H3",XLNZEKHULJKQBA-UHFFFAOYSA-N,Terbufos,25670
Terbumeton,CC(C)(C)NC1=NC(OC)=NC(NCC)=N1,C10H19N5O,7.72,226.1662403,156.21,[M+H],1,"InChI=1S/C10H19N5O/c1-6-11-7-12-8(15-10(2,3)4)14-9(13-7)16-5/h6H2,1-5H3,(H2,11,12,13,14,15)",BCQMBFHBDZVHKU-UHFFFAOYSA-N,Terbumeton,36584
Terbutaline,OC(CNC(C)(C)C)C1=CC(O)=CC(O)=C1,C12H19NO3,1.24,224.1292135,161.81,[M-H],-1,"InChI=1S/C12H19NO3/c1-12(2,3)13-7-11(16)8-4-9(14)6-10(15)5-8/h4-6,11,13-16H,7H2,1-3H3",XWTYSIMOBUGWOL-UHFFFAOYSA-N,Terbutaline,5403
Terbutaline,OC(CNC(C)(C)C)C1=CC(O)=CC(O)=C1,C12H19NO3,1.33,226.1437735,155.27,[M+H],1,"InChI=1S/C12H19NO3/c1-12(2,3)13-7-11(16)8-4-9(14)6-10(15)5-8/h4-6,11,13-16H,7H2,1-3H3",XWTYSIMOBUGWOL-UHFFFAOYSA-N,Terbutaline,5403
Terbutaline,OC(CNC(C)(C)C)C1=CC(O)=CC(O)=C1,C12H19NO3,1.33,248.1257135,166.43,[M+Na],1,"InChI=1S/C12H19NO3/c1-12(2,3)13-7-11(16)8-4-9(14)6-10(15)5-8/h4-6,11,13-16H,7H2,1-3H3",XWTYSIMOBUGWOL-UHFFFAOYSA-N,Terbutaline,5403
Terbuthylazine,ClC1=NC(NCC)=NC(NC(C)(C)C)=N1,C9H16ClN5,9.96,230.1167032,153.99,[M+H],1,"InChI=1S/C9H16ClN5/c1-5-11-7-12-6(10)13-8(14-7)15-9(2,3)4/h5H2,1-4H3,(H2,11,12,13,14,15)",FZXISNSWEXTPMF-UHFFFAOYSA-N,Terbuthylazine,22206
Terbutryn,CC(C)(C)NC1=NC(SC)=NC(NCC)=N1,C10H19N5S,9.87,242.1433968,160.48,[M+H],1,"InChI=1S/C10H19N5S/c1-6-11-7-12-8(15-10(2,3)4)14-9(13-7)16-5/h6H2,1-5H3,(H2,11,12,13,14,15)",IROINLKCQGIITA-UHFFFAOYSA-N,Terbutryn,13450
Testosterone,O=C1C=C2[C@@](CC1)(C)[C@]3([H])[C@](CC2)([H])[C@@](CC[C@@H]4O)([H])[C@]4(C)CC3,C19H28O2,10.29,289.2162101,172.37,[M+H],1,"InChI=1S/C19H28O2/c1-18-9-7-13(20)11-12(18)3-4-14-15-5-6-17(21)19(15,2)10-8-16(14)18/h11,14-17,21H,3-10H2,1-2H3/t14-,15-,16-,17-,18-,19-/m0/s1",MUMGGOZAMZWBJJ-DYKIIFRCSA-N,Testosterone,6013
Testosterone glucuronide,O=C1C=C2[C@@](CC1)(C)[C@](CC3)([H])[C@](CC2)([H])[C@@](CC4)([H])[C@@]3(C)[C@H]4O[C@@H]([C@@H]([C@H]5O)O)O[C@H](C(O)=O)[C@H]5O,C25H36O8,8.88,463.2337381,220.84,[M-H],-1,"InChI=1S/C25H36O8/c1-24-9-7-13(26)11-12(24)3-4-14-15-5-6-17(25(15,2)10-8-16(14)24)32-23-20(29)18(27)19(28)21(33-23)22(30)31/h11,14-21,23,27-29H,3-10H2,1-2H3,(H,30,31)/t14-,15-,16-,17-,18-,19-,20+,21-,23+,24-,25-/m0/s1",NIKZPECGCSUSBV-HMAFJQTKSA-N,Testosterone glucuronide,108192
Testosterone glucuronide,O=C1C=C2[C@@](CC1)(C)[C@](CC3)([H])[C@](CC2)([H])[C@@](CC4)([H])[C@@]3(C)[C@H]4O[C@@H]([C@@H]([C@H]5O)O)O[C@H](C(O)=O)[C@H]5O,C25H36O8,8.93,465.2482981,221.48,[M+H],1,"InChI=1S/C25H36O8/c1-24-9-7-13(26)11-12(24)3-4-14-15-5-6-17(25(15,2)10-8-16(14)24)32-23-20(29)18(27)19(28)21(33-23)22(30)31/h11,14-21,23,27-29H,3-10H2,1-2H3,(H,30,31)/t14-,15-,16-,17-,18-,19-,20+,21-,23+,24-,25-/m0/s1",NIKZPECGCSUSBV-HMAFJQTKSA-N,Testosterone glucuronide,108192
Tetraconazole,ClC1=CC(Cl)=CC=C1C(CN2N=CN=C2)COC(F)(C(F)F)F,C13H11Cl2F4N3O,11.02,405.99093,178.08,[M+Cl],-1,"InChI=1S/C13H11Cl2F4N3O/c14-9-1-2-10(11(15)3-9)8(4-22-7-20-6-21-22)5-23-13(18,19)12(16)17/h1-3,6-8,12H,4-5H2",LQDARGUHUSPFNL-UHFFFAOYSA-N,Tetraconazole,80277
Tetraconazole,ClC1=CC(Cl)=CC=C1C(CN2N=CN=C2)COC(F)(C(F)F)F,C13H11Cl2F4N3O,11.02,416.01973,180.15,[M+HCOO],-1,"InChI=1S/C13H11Cl2F4N3O/c14-9-1-2-10(11(15)3-9)8(4-22-7-20-6-21-22)5-23-13(18,19)12(16)17/h1-3,6-8,12H,4-5H2",LQDARGUHUSPFNL-UHFFFAOYSA-N,Tetraconazole,80277
Tetraconazole,ClC1=CC(Cl)=CC=C1C(CN2N=CN=C2)COC(F)(C(F)F)F,C13H11Cl2F4N3O,11.03,372.02881,174.67,[M+H],1,"InChI=1S/C13H11Cl2F4N3O/c14-9-1-2-10(11(15)3-9)8(4-22-7-20-6-21-22)5-23-13(18,19)12(16)17/h1-3,6-8,12H,4-5H2",LQDARGUHUSPFNL-UHFFFAOYSA-N,Tetraconazole,80277
Tetracycline,C[C@]1(c2cccc(c2C(=O)C3=C([C@]4([C@@H](C[C@@H]31)[C@@H](C(=C(C4=O)C(=N)O)O)N(C)C)O)O)O)O,C22H24N2O8,5.84,443.1459857,199.24,[M-H],-1,"InChI=1S/C22H24N2O8/c1-21(31)8-5-4-6-11(25)12(8)16(26)13-9(21)7-10-15(24(2)3)17(27)14(20(23)30)19(29)22(10,32)18(13)28/h4-6,9-10,15,25,27-28,31-32H,7H2,1-3H3,(H2,23,30)/t9-,10-,15-,21+,22-/m0/s1",OFVLGDICTFRJMM-WESIUVDSSA-N,Tetracycline,54675776
"TH-PVP (3',4'-tetramethylene-alpha-Pyrrolidinovalerophenone)",CCCC(N1CCCC1)C(C2=CC=C3CCCCC3=C2)=O,C19H27NO,8.29,286.2165445,178.4,[M+H],1,"InChI=1S/C19H27NO/c1-2-7-18(20-12-5-6-13-20)19(21)17-11-10-15-8-3-4-9-16(15)14-17/h10-11,14,18H,2-9,12-13H2,1H3",MMIKQWIZKBYLKZ-UHFFFAOYSA-N,"TH-PVP (3',4'-tetramethylene-alpha-Pyrrolidinovalerophenone)",132989549
THC-COOH,OC1=C2C3C(CCC(C(O)=O)=C3)C(C)(C)OC2=CC(CCCCC)=C1,C21H28O4,13.42,345.2060394,193.85,[M+H],1,"InChI=1S/C21H28O4/c1-4-5-6-7-13-10-17(22)19-15-12-14(20(23)24)8-9-16(15)21(2,3)25-18(19)11-13/h10-12,15-16,22H,4-9H2,1-3H3,(H,23,24)",YOVRGSHRZRJTLZ-UHFFFAOYSA-N,THC-COOH,107885
Thiabendazole,C1(C2=CSC=N2)=NC3=CC=CC=C3N1,C10H7N3S,3.38,200.0287884,141.71,[M-H],-1,"InChI=1S/C10H7N3S/c1-2-4-8-7(3-1)12-10(13-8)9-5-14-6-11-9/h1-6H,(H,12,13)",WJCNZQLZVWNLKY-UHFFFAOYSA-N,Thiabendazole,5430
Thiabendazole,C1(C2=CSC=N2)=NC3=CC=CC=C3N1,C10H7N3S,3.27,202.0433484,137.44,[M+H],1,"InChI=1S/C10H7N3S/c1-2-4-8-7(3-1)12-10(13-8)9-5-14-6-11-9/h1-6H,(H,12,13)",WJCNZQLZVWNLKY-UHFFFAOYSA-N,Thiabendazole,5430
Thiacloprid,ClC1=NC=C(C=C1)CN2/C(SCC2)=N/C#N,C10H9ClN4S,5.32,297.0218452,167.43,[M+HCOO],-1,"InChI=1S/C10H9ClN4S/c11-9-2-1-8(5-13-9)6-15-3-4-16-10(15)14-7-12/h1-2,5H,3-4,6H2/b14-10-",HOKKPVIRMVDYPB-UVTDQMKNSA-N,Thiacloprid,115224
Thiacloprid,ClC1=NC=C(C=C1)CN2/C(SCC2)=N/C#N,C10H9ClN4S,5.32,253.0309252,156.97,[M+H],1,"InChI=1S/C10H9ClN4S/c11-9-2-1-8(5-13-9)6-15-3-4-16-10(15)14-7-12/h1-2,5H,3-4,6H2/b14-10-",HOKKPVIRMVDYPB-UVTDQMKNSA-N,Thiacloprid,115224
Thiacloprid,ClC1=NC=C(C=C1)CN2/C(SCC2)=N/C#N,C10H9ClN4S,5.32,275.0128652,171.01,[M+Na],1,"InChI=1S/C10H9ClN4S/c11-9-2-1-8(5-13-9)6-15-3-4-16-10(15)14-7-12/h1-2,5H,3-4,6H2/b14-10-",HOKKPVIRMVDYPB-UVTDQMKNSA-N,Thiacloprid,115224
Thiamethoxam,ClC(S1)=NC=C1CN2C(N(COC2)C)=N[N+]([O-])=O,C8H10ClN5O3S,2.96,292.0265681,158.16,[M+H],1,"InChI=1S/C8H10ClN5O3S/c1-12-4-17-5-13(8(12)11-14(15)16)3-6-2-10-7(9)18-6/h2H,3-5H2,1H3",NWWZPOKUUAIXIW-UHFFFAOYSA-N,Thiamethoxam,107646
Thiamethoxam,ClC(S1)=NC=C1CN2C(N(COC2)C)=N[N+]([O-])=O,C8H10ClN5O3S,2.96,314.0085081,159.11,[M+Na],1,"InChI=1S/C8H10ClN5O3S/c1-12-4-17-5-13(8(12)11-14(15)16)3-6-2-10-7(9)18-6/h2H,3-5H2,1H3",NWWZPOKUUAIXIW-UHFFFAOYSA-N,Thiamethoxam,107646
Thiamphenicol,O=C(C(Cl)Cl)N[C@@H]([C@@H](C1=CC=C(C=C1)S(=O)(C)=O)O)CO,C12H15Cl2NO5S,2.77,353.9975192,179.09,[M-H],-1,"InChI=1S/C12H15Cl2NO5S/c1-21(19,20)8-4-2-7(3-5-8)10(17)9(6-16)15-12(18)11(13)14/h2-5,9-11,16-17H,6H2,1H3,(H,15,18)/t9-,10-/m1/s1",OTVAEFIXJLOWRX-NXEZZACHSA-N,Thiamphenicol,27200
Thiamphenicol,O=C(C(Cl)Cl)N[C@@H]([C@@H](C1=CC=C(C=C1)S(=O)(C)=O)O)CO,C12H15Cl2NO5S,2.78,377.9940192,172.02,[M+Na],1,"InChI=1S/C12H15Cl2NO5S/c1-21(19,20)8-4-2-7(3-5-8)10(17)9(6-16)15-12(18)11(13)14/h2-5,9-11,16-17H,6H2,1H3,(H,15,18)/t9-,10-/m1/s1",OTVAEFIXJLOWRX-NXEZZACHSA-N,Thiamphenicol,27200
Thiobencarb,ClC1=CC=C(C=C1)CSC(N(CC)CC)=O,C12H16ClNOS,12.29,258.071393,155.71,[M+H],1,"InChI=1S/C12H16ClNOS/c1-3-14(4-2)12(15)16-9-10-5-7-11(13)8-6-10/h5-8H,3-4,9H2,1-2H3",QHTQREMOGMZHJV-UHFFFAOYSA-N,Thiobencarb,34192
Thiobencarb,ClC1=CC=C(C=C1)CSC(N(CC)CC)=O,C12H16ClNOS,12.29,280.053333,163.36,[M+Na],1,"InChI=1S/C12H16ClNOS/c1-3-14(4-2)12(15)16-9-10-5-7-11(13)8-6-10/h5-8H,3-4,9H2,1-2H3",QHTQREMOGMZHJV-UHFFFAOYSA-N,Thiobencarb,34192
Thiodicarb,O=C(O/N=C(C)/SC)N(C)SN(C)C(O/N=C(C)/SC)=O,C10H18N4O4S3,8.16,355.0562986,181.53,[M+H],1,"InChI=1S/C10H18N4O4S3/c1-7(19-5)11-17-9(15)13(3)21-14(4)10(16)18-12-8(2)20-6/h1-6H3/b11-7+,12-8+",XDOTVMNBCQVZKG-MKICQXMISA-N,Thiodicarb,9601227
Thiodicarb,O=C(O/N=C(C)/SC)N(C)SN(C)C(O/N=C(C)/SC)=O,C10H18N4O4S3,8.16,377.0382386,191.12,[M+Na],1,"InChI=1S/C10H18N4O4S3/c1-7(19-5)11-17-9(15)13(3)21-14(4)10(16)18-12-8(2)20-6/h1-6H3/b11-7+,12-8+",XDOTVMNBCQVZKG-MKICQXMISA-N,Thiodicarb,9601227
Thiophanate-methyl,S=C(NC(OC)=O)NC1=CC=CC=C1NC(NC(OC)=O)=S,C12H14N4O4S2,7.16,343.0529273,174.79,[M+H],1,"InChI=1S/C12H14N4O4S2/c1-19-11(17)15-9(21)13-7-5-3-4-6-8(7)14-10(22)16-12(18)20-2/h3-6H,1-2H3,(H2,13,15,17,21)(H2,14,16,18,22)",QGHREAKMXXNCOA-UHFFFAOYSA-N,Thiophanate-methyl,3032791
Thiophanate-methyl,S=C(NC(OC)=O)NC1=CC=CC=C1NC(NC(OC)=O)=S,C12H14N4O4S2,7.16,365.0348673,177.65,[M+Na],1,"InChI=1S/C12H14N4O4S2/c1-19-11(17)15-9(21)13-7-5-3-4-6-8(7)14-10(22)16-12(18)20-2/h3-6H,1-2H3,(H2,13,15,17,21)(H2,14,16,18,22)",QGHREAKMXXNCOA-UHFFFAOYSA-N,Thiophanate-methyl,3032791
Thiothinone,CC(NC)C(C1=CC=CS1)=O,C8H11NOS,1.31,170.0634152,135.19,[M+H],1,"InChI=1S/C8H11NOS/c1-6(9-2)8(10)7-4-3-5-11-7/h3-6,9H,1-2H3",DOZQPYDMJMLVKX-UHFFFAOYSA-N,Thiothinone,12198617
Thiothinone,CC(NC)C(C1=CC=CS1)=O,C8H11NOS,1.31,152.0528552,127.09,[M+H-H2O],1,"InChI=1S/C8H11NOS/c1-6(9-2)8(10)7-4-3-5-11-7/h3-6,9H,1-2H3",DOZQPYDMJMLVKX-UHFFFAOYSA-N,Thiothinone,12198617
Thiram,CN(C)C(=S)SSC(=S)N(C)C,C6H12N2S4,6.57,284.9865331,149.46,[M+HCOO],-1,InChI=1S/C6H12N2S4/c1-7(2)5(9)11-12-6(10)8(3)4/h1-4H3,KUAZQDVKQLNFPE-UHFFFAOYSA-N,Thiram,5455
THJ-018,O=C(C1=NN(CCCCC)C2=C1C=CC=C2)C3=CC=CC4=C3C=CC=C4,C23H22N2O,13.98,343.1804933,186.01,[M+H],1,"InChI=1S/C23H22N2O/c1-2-3-8-16-25-21-15-7-6-13-20(21)22(24-25)23(26)19-14-9-11-17-10-4-5-12-18(17)19/h4-7,9-15H,2-3,8,16H2,1H3",VAKGBPSFDNTMDJ-UHFFFAOYSA-N,THJ-018,124518671
THJ-2201,O=C(C1=NN(CCCCCF)C2=C1C=CC=C2)C3=CC=CC4=C3C=CC=C4,C23H21FN2O,12.67,361.1710715,187.57,[M+H],1,"InChI=1S/C23H21FN2O/c24-15-6-1-7-16-26-21-14-5-4-12-20(21)22(25-26)23(27)19-13-8-10-17-9-2-3-11-18(17)19/h2-5,8-14H,1,6-7,15-16H2",DULWRYKFTVFPTL-UHFFFAOYSA-N,THJ-2201,91864533
Tiamulin,O=C1[C@@H]([C@]([C@H](C)CC2)(C)[C@@H]3OC(CSCCN(CC)CC)=O)[C@@]2(CC1)[C@@H](C)[C@@H]([C@@](C=C)(C)C3)O,C28H47NO4S,7.69,494.3298602,217.61,[M+H],1,"InChI=1S/C28H47NO4S/c1-8-26(6)17-22(33-23(31)18-34-16-15-29(9-2)10-3)27(7)19(4)11-13-28(20(5)25(26)32)14-12-21(30)24(27)28/h8,19-20,22,24-25,32H,1,9-18H2,2-7H3/t19-,20+,22-,24+,25+,26-,27+,28+/m1/s1",UURAUHCOJAIIRQ-QGLSALSOSA-N,Tiamulin,656958
Tolclofos-methyl,ClC1=C(C(Cl)=CC(C)=C1)OP(OC)(OC)=S,C9H11Cl2O3PS,12.24,300.9616378,149.82,[M+H],1,"InChI=1S/C9H11Cl2O3PS/c1-6-4-7(10)9(8(11)5-6)14-15(16,12-2)13-3/h4-5H,1-3H3",OBZIQQJJIKNWNO-UHFFFAOYSA-N,Tolclofos-methyl,91664
Tolyfluanid,ClC(SN(C1=CC=C(C)C=C1)S(=O)(N(C)C)=O)(F)Cl,C10H13Cl2FN2O2S2,11.7,368.9671736,175.32,[M+Na],1,"InChI=1S/C10H13Cl2FN2O2S2/c1-8-4-6-9(7-5-8)15(18-10(11,12)13)19(16,17)14(2)3/h4-7H,1-3H3",HYVWIQDYBVKITD-UHFFFAOYSA-N,Tolyfluanid,12898
Tramadol,O[C@]1([C@@H](CN(C)C)CCCC1)C2=CC(OC)=CC=C2,C16H25NO2,4,264.195809,161.3,[M+H],1,"InChI=1S/C16H25NO2/c1-17(2)12-14-7-4-5-10-16(14,18)13-8-6-9-15(11-13)19-3/h6,8-9,11,14,18H,4-5,7,10,12H2,1-3H3/t14-,16+/m1/s1",TVYLLZQTGLZFBW-ZBFHGGJFSA-N,Tramadol,33741
Triadimefon,ClC1=CC=C(C=C1)OC(C(C(C)(C)C)=O)N2N=CN=C2,C14H16ClN3O2,10.47,292.0858245,170.72,[M-H],-1,"InChI=1S/C14H16ClN3O2/c1-14(2,3)12(19)13(18-9-16-8-17-18)20-11-6-4-10(15)5-7-11/h4-9,13H,1-3H3",WURBVZBTWMNKQT-UHFFFAOYSA-N,Triadimefon,39385
Triadimefon,ClC1=CC=C(C=C1)OC(C(C(C)(C)C)=O)N2N=CN=C2,C14H16N3O2Cl,10.49,294.1003845,172.99,[M+H],1,"InChI=1S/C14H16ClN3O2/c1-14(2,3)12(19)13(18-9-16-8-17-18)20-11-6-4-10(15)5-7-11/h4-9,13H,1-3H3",WURBVZBTWMNKQT-UHFFFAOYSA-N,Triadimefon,39385
Triadimenol,ClC1=CC=C(C=C1)OC(C(C(C)(C)C)O)N2N=CN=C2,C14H18ClN3O2,10.79,338.0913045,178.1,[M+HCOO],-1,"InChI=1S/C14H18ClN3O2/c1-14(2,3)12(19)13(18-9-16-8-17-18)20-11-6-4-10(15)5-7-11/h4-9,12-13,19H,1-3H3",BAZVSMNPJJMILC-UHFFFAOYSA-N,Triadimenol,41368
Triadimenol,ClC1=CC=C(C=C1)OC(C(C(C)(C)C)O)N2N=CN=C2,C14H18N3O2Cl,10.8,296.1160345,172.08,[M+H],1,"InChI=1S/C14H18ClN3O2/c1-14(2,3)12(19)13(18-9-16-8-17-18)20-11-6-4-10(15)5-7-11/h4-9,12-13,19H,1-3H3",BAZVSMNPJJMILC-UHFFFAOYSA-N,Triadimenol,41368
Triadimenol,ClC1=CC=C(C=C1)OC(C(C(C)(C)C)O)N2N=CN=C2,C14H18N3O2Cl,10.8,318.0979745,177.62,[M+Na],1,"InChI=1S/C14H18ClN3O2/c1-14(2,3)12(19)13(18-9-16-8-17-18)20-11-6-4-10(15)5-7-11/h4-9,12-13,19H,1-3H3",BAZVSMNPJJMILC-UHFFFAOYSA-N,Triadimenol,41368
Trichlorfon,ClC(Cl)(C(O)P(OC)(OC)=O)Cl,C4H8Cl3O4P,4.37,256.9298588,135.96,[M+H],1,"InChI=1S/C4H8Cl3O4P/c1-10-12(9,11-2)3(8)4(5,6)7/h3,8H,1-2H3",NFACJZMKEDPNKN-UHFFFAOYSA-N,Trichlorfon,5853
Trichlorfon,ClC(Cl)(C(O)P(OC)(OC)=O)Cl,C4H8Cl3O4P,4.37,278.9117988,148.98,[M+Na],1,"InChI=1S/C4H8Cl3O4P/c1-10-12(9,11-2)3(8)4(5,6)7/h3,8H,1-2H3",NFACJZMKEDPNKN-UHFFFAOYSA-N,Trichlorfon,5853
Triclosan,c1cc(c(cc1Cl)O)Oc2ccc(cc2Cl)Cl,C12H7Cl3O2,12.82,286.9438826,159.97,[M-H],-1,"InChI=1S/C12H7Cl3O2/c13-7-1-3-11(9(15)5-7)17-12-4-2-8(14)6-10(12)16/h1-6,16H",XEFQLINVKFYRCS-UHFFFAOYSA-N,Triclosan,5564
Tridemorph,CC1OC(C)CN(CCCCCCCCCCCCC)C1,C19H39NO,10.45,298.3104449,186.68,[M+H],1,"InChI=1S/C19H39NO/c1-4-5-6-7-8-9-10-11-12-13-14-15-20-16-18(2)21-19(3)17-20/h18-19H,4-17H2,1-3H3",YTOPFCCWCSOHFV-UHFFFAOYSA-N,Tridemorph,32518
Triflumizole,ClC1=CC=C(C(C(F)(F)F)=C1)/N=C(COCCC)/N2C=NC=C2,C15H15ClF3N3O,12.58,346.0928543,177.09,[M+H],1,"InChI=1S/C15H15ClF3N3O/c1-2-7-23-9-14(22-6-5-20-10-22)21-13-4-3-11(16)8-12(13)15(17,18)19/h3-6,8,10H,2,7,9H2,1H3/b21-14+",HSMVPDGQOIQYSR-KGENOOAVSA-N,Triflumizole,91699
Triforine,C1CN(CCN1C(C(Cl)(Cl)Cl)NC=O)C(C(Cl)(Cl)Cl)NC=O,C10H14Cl6N4O2,9.49,466.8941919,185.83,[M+Cl],-1,"InChI=1S/C10H14Cl6N4O2/c11-9(12,13)7(17-5-21)19-1-2-20(4-3-19)8(18-6-22)10(14,15)16/h5-8H,1-4H2,(H,17,21)(H,18,22)",RROQIUMZODEXOR-UHFFFAOYSA-N,Triforine,33565
Trimethoprim,COC1=C(OC)C(OC)=CC(CC2=C(N)N=C(N)N=C2)=C1,C14H18N4O3,2.66,291.1451705,172.89,[M+H],1,"InChI=1S/C14H18N4O3/c1-19-10-5-8(6-11(20-2)12(10)21-3)4-9-7-17-14(16)18-13(9)15/h5-7H,4H2,1-3H3,(H4,15,16,17,18)",IEDVJHCEMCRBQM-UHFFFAOYSA-N,Trimethoprim,5578
Trimethoprim,COC1=C(OC)C(OC)=CC(CC2=C(N)N=C(N)N=C2)=C1,C14H18N4O3,2.66,313.1271105,187.42,[M+Na],1,"InChI=1S/C14H18N4O3/c1-19-10-5-8(6-11(20-2)12(10)21-3)4-9-7-17-14(16)18-13(9)15/h5-7H,4H2,1-3H3,(H4,15,16,17,18)",IEDVJHCEMCRBQM-UHFFFAOYSA-N,Trimethoprim,5578
Trinexapac acid,C\1(=C(\C2CC2)/O)/C(=O)CC(CC1=O)C(=O)O,C11H12O5,6.33,223.0611935,149.17,[M-H],-1,"InChI=1S/C11H12O5/c12-7-3-6(11(15)16)4-8(13)9(7)10(14)5-1-2-5/h5-6,14H,1-4H2,(H,15,16)/b10-9-",DFFWZNDCNBOKDI-KTKRTIGZSA-N,Trinexapac acid,14371531
Tylosin,O[C@@H]([C@H](O[C@@H]([C@@H](CC=O)C[C@@H](C)C1=O)[C@@H](C)[C@@H](CC(O[C@H](CC)[C@H](/C=C(C)/C=C/1)CO[C@@H]([C@@H]([C@@H]2OC)OC)O[C@H](C)[C@H]2O)=O)O)O[C@@H]3C)[C@H]([C@@H]3O[C@@H](C4)O[C@@H](C)[C@@H]([C@]4(C)O)O)N(C)C,C46H77NO17,14.49,914.51187,304.23,[M-H],-1,"InChI=1S/C46H77NO17/c1-13-33-30(22-58-45-42(57-12)41(56-11)37(52)26(5)60-45)18-23(2)14-15-31(49)24(3)19-29(16-17-48)39(25(4)32(50)20-34(51)62-33)64-44-38(53)36(47(9)10)40(27(6)61-44)63-35-21-46(8,55)43(54)28(7)59-35/h14-15,17-18,24-30,32-33,35-45,50,52-55H,13,16,19-22H2,1-12H3/b15-14+,23-18+/t24-,25+,26-,27-,28+,29+,30-,32-,33-,35+,36-,37-,38-,39-,40-,41-,42-,43+,44+,45-,46-/m1/s1",WBPYTXDJUQJLPQ-VMXQISHHSA-N,Tylosin,5280440
Tylosin,O[C@@H]([C@H](O[C@@H]([C@@H](CC=O)C[C@@H](C)C1=O)[C@@H](C)[C@@H](CC(O[C@H](CC)[C@H](/C=C(C)/C=C/1)CO[C@@H]([C@@H]([C@@H]2OC)OC)O[C@H](C)[C@H]2O)=O)O)O[C@@H]3C)[C@H]([C@@H]3O[C@@H](C4)O[C@@H](C)[C@@H]([C@]4(C)O)O)N(C)C,C46H77NO17,8.25,916.52643,319.79,[M+H],1,"InChI=1S/C46H77NO17/c1-13-33-30(22-58-45-42(57-12)41(56-11)37(52)26(5)60-45)18-23(2)14-15-31(49)24(3)19-29(16-17-48)39(25(4)32(50)20-34(51)62-33)64-44-38(53)36(47(9)10)40(27(6)61-44)63-35-21-46(8,55)43(54)28(7)59-35/h14-15,17-18,24-30,32-33,35-45,50,52-55H,13,16,19-22H2,1-12H3/b15-14+,23-18+/t24-,25+,26-,27-,28+,29+,30-,32-,33-,35+,36-,37-,38-,39-,40-,41-,42-,43+,44+,45-,46-/m1/s1",WBPYTXDJUQJLPQ-VMXQISHHSA-N,Tylosin,5280440
U-47700,O=C(C1=CC(Cl)=C(Cl)C=C1)N(C)C2CCCCC2N(C)C,C16H22Cl2N2O,6.37,329.1181987,178.18,[M+H],1,"InChI=1S/C16H22Cl2N2O/c1-19(2)14-6-4-5-7-15(14)20(3)16(21)11-8-9-12(17)13(18)10-11/h8-10,14-15H,4-7H2,1-3H3",JGPNMZWFVRQNGU-UHFFFAOYSA-N,U-47700,13544015
U-49900,O=C(C1=CC(Cl)=C(Cl)C=C1)N(C)C2CCCCC2N(CC)CC,C18H26Cl2N2O,6.6,357.1494989,185.9,[M+H],1,"InChI=1S/C18H26Cl2N2O/c1-4-22(5-2)17-9-7-6-8-16(17)21(3)18(23)13-10-11-14(19)15(20)12-13/h10-12,16-17H,4-9H2,1-3H3",AXACJBKFKCCIOR-UHFFFAOYSA-N,U-49900,23349712
Valifenalate isomer 1,C(=O)(NC(CC(=O)OC)c1ccc(cc1)Cl)[C@@H](NC(=O)OC(C)C)C(C)C,C19H27ClN2O5,10.49,397.1535697,208.43,[M-H],-1,"InChI=1S/C19H27ClN2O5/c1-11(2)17(22-19(25)27-12(3)4)18(24)21-15(10-16(23)26-5)13-6-8-14(20)9-7-13/h6-9,11-12,15,17H,10H2,1-5H3,(H,21,24)(H,22,25)/t15?,17-/m0/s1",DBXFMOWZRXXBRN-LWKPJOBUSA-N,Valifenalate isomer 1,11338509
Valifenalate isomer 1,C(=O)(NC(CC(=O)OC)c1ccc(cc1)Cl)[C@@H](NC(=O)OC(C)C)C(C)C,C19H27ClN2O5,10.49,433.1302497,207.08,[M+Cl],-1,"InChI=1S/C19H27ClN2O5/c1-11(2)17(22-19(25)27-12(3)4)18(24)21-15(10-16(23)26-5)13-6-8-14(20)9-7-13/h6-9,11-12,15,17H,10H2,1-5H3,(H,21,24)(H,22,25)/t15?,17-/m0/s1",DBXFMOWZRXXBRN-LWKPJOBUSA-N,Valifenalate isomer 1,11338509
Valifenalate isomer 1,C(=O)(NC(CC(=O)OC)c1ccc(cc1)Cl)[C@@H](NC(=O)OC(C)C)C(C)C,C19H27ClN2O5,10.49,443.1590497,208.51,[M+HCOO],-1,"InChI=1S/C19H27ClN2O5/c1-11(2)17(22-19(25)27-12(3)4)18(24)21-15(10-16(23)26-5)13-6-8-14(20)9-7-13/h6-9,11-12,15,17H,10H2,1-5H3,(H,21,24)(H,22,25)/t15?,17-/m0/s1",DBXFMOWZRXXBRN-LWKPJOBUSA-N,Valifenalate isomer 1,11338509
Valifenalate isomer 2,C(=O)(NC(CC(=O)OC)c1ccc(cc1)Cl)[C@@H](NC(=O)OC(C)C)C(C)C,C19H27ClN2O5,10.71,397.1535697,208.44,[M-H],-1,"InChI=1S/C19H27ClN2O5/c1-11(2)17(22-19(25)27-12(3)4)18(24)21-15(10-16(23)26-5)13-6-8-14(20)9-7-13/h6-9,11-12,15,17H,10H2,1-5H3,(H,21,24)(H,22,25)/t15?,17-/m0/s1",DBXFMOWZRXXBRN-LWKPJOBUSA-N,Valifenalate isomer 2,11338509
Valifenalate isomer 2,C(=O)(NC(CC(=O)OC)c1ccc(cc1)Cl)[C@@H](NC(=O)OC(C)C)C(C)C,C19H27ClN2O5,10.71,433.1302497,206.93,[M+Cl],-1,"InChI=1S/C19H27ClN2O5/c1-11(2)17(22-19(25)27-12(3)4)18(24)21-15(10-16(23)26-5)13-6-8-14(20)9-7-13/h6-9,11-12,15,17H,10H2,1-5H3,(H,21,24)(H,22,25)/t15?,17-/m0/s1",DBXFMOWZRXXBRN-LWKPJOBUSA-N,Valifenalate isomer 2,11338509
Valifenalate isomer 2,C(=O)(NC(CC(=O)OC)c1ccc(cc1)Cl)[C@@H](NC(=O)OC(C)C)C(C)C,C19H27ClN2O5,10.71,443.1590497,208.16,[M+HCOO],-1,"InChI=1S/C19H27ClN2O5/c1-11(2)17(22-19(25)27-12(3)4)18(24)21-15(10-16(23)26-5)13-6-8-14(20)9-7-13/h6-9,11-12,15,17H,10H2,1-5H3,(H,21,24)(H,22,25)/t15?,17-/m0/s1",DBXFMOWZRXXBRN-LWKPJOBUSA-N,Valifenalate isomer 2,11338509
Venlafaxine,COC1=CC=C(C(C2(CCCCC2)O)CN(C)C)C=C1,C17H27NO2,5.7,278.2114591,171.86,[M+H],1,"InChI=1S/C17H27NO2/c1-18(2)13-16(17(19)11-5-4-6-12-17)14-7-9-15(20-3)10-8-14/h7-10,16,19H,4-6,11-13H2,1-3H3",PNVNVHUZROJLTJ-UHFFFAOYSA-N,Venlafaxine,5656
Venlafaxine,COC1=CC=C(C(C2(CCCCC2)O)CN(C)C)C=C1,C17H27NO2,5.7,300.1933991,179.64,[M+Na],1,"InChI=1S/C17H27NO2/c1-18(2)13-16(17(19)11-5-4-6-12-17)14-7-9-15(20-3)10-8-14/h7-10,16,19H,4-6,11-13H2,1-3H3",PNVNVHUZROJLTJ-UHFFFAOYSA-N,Venlafaxine,5656
Xylazine,CC1=C(C(C)=CC=C1)NC2=NCCCS2,C12H16N2S,3.67,221.1106997,148.72,[M+H],1,"InChI=1S/C12H16N2S/c1-9-5-3-6-10(2)11(9)14-12-13-7-4-8-15-12/h3,5-6H,4,7-8H2,1-2H3,(H,13,14)",BPICBUSOMSTKRF-UHFFFAOYSA-N,Xylazine,5707
Zearalenone,OC1=C(C(O[C@@H](C)CCCC2=O)=O)C(/C=C/CCC2)=CC(O)=C1,C18H22O5,10.42,319.1540038,172.48,[M+H],1,"InChI=1S/C18H22O5/c1-12-6-5-9-14(19)8-4-2-3-7-13-10-15(20)11-16(21)17(13)18(22)23-12/h3,7,10-12,20-21H,2,4-6,8-9H2,1H3/b7-3+/t12-/m0/s1",MBMQEIFVQACCCH-QBODLPLBSA-N,Zearalenone,5281576
Zearalenone-alpha,O1C(C2=C(C=C(C=C2CCCCCC(CCC[C@@H]1C)=O)O)O)=O,C18H22O5,10.42,319.1550939,178.19,[M-H],-1,"InChI=1S/C18H24O5/c1-12-6-5-9-14(19)8-4-2-3-7-13-10-15(20)11-16(21)17(13)18(22)23-12/h10-12,20-21H,2-9H2,1H3/t12-/m0/s1",APJDQUGPCJRQRJ-LBPRGKRZSA-N,Zearalenone-alpha,108003
Zilpaterol,CC(C)N[C@@H]1CCn2c3c(cccc3[nH]c2=O)[C@H]1O,C14H19N3O2,1.28,260.1404469,165.86,[M-H],-1,"InChI=1S/C14H19N3O2/c1-8(2)15-11-6-7-17-12-9(13(11)18)4-3-5-10(12)16-14(17)19/h3-5,8,11,13,15,18H,6-7H2,1-2H3,(H,16,19)/t11-,13-/m1/s1",ZSTCZWJCLIRCOJ-DGCLKSJQSA-N,Zilpaterol,3086576
Zilpaterol,O=C1NC2=C3N1CC[C@@H](NC(C)C)[C@H](O)C3=CC=C2,C14H19N3O2,1.37,262.1550069,162.36,[M+H],1,"InChI=1S/C14H19N3O2/c1-8(2)15-11-6-7-17-12-9(13(11)18)4-3-5-10(12)16-14(17)19/h3-5,8,11,13,15,18H,6-7H2,1-2H3,(H,16,19)/t11-,13-/m1/s1",ZSTCZWJCLIRCOJ-DGCLKSJQSA-N,Zilpaterol,3086576
Zilpaterol,O=C1NC2=C3N1CC[C@@H](NC(C)C)[C@H](O)C3=CC=C2,C14H19N3O2,1.37,284.1369469,182.75,[M+Na],1,"InChI=1S/C14H19N3O2/c1-8(2)15-11-6-7-17-12-9(13(11)18)4-3-5-10(12)16-14(17)19/h3-5,8,11,13,15,18H,6-7H2,1-2H3,(H,16,19)/t11-,13-/m1/s1",ZSTCZWJCLIRCOJ-DGCLKSJQSA-N,Zilpaterol,3086576
alpha-PVP,O=C(C1=CC=CC=C1)C(CCC)N2CCCC2,C15H21NO,4.97,232.1695943,156.19,[M+H],1,"InChI=1S/C15H21NO/c1-2-8-14(16-11-6-7-12-16)15(17)13-9-4-3-5-10-13/h3-5,9-10,14H,2,6-8,11-12H2,1H3",YDIIDRWHPFMLGR-UHFFFAOYSA-N,alpha-PVP,11148955
alpha-Zearalanol,O[C@@H]1CCCCCC(C=C2O)=C(C(O)=C2)C(O[C@@H](C)CCC1)=O,C18H26O5,8.94,305.1747439,174.29,[M+H-H2O],1,"InChI=1S/C18H26O5/c1-12-6-5-9-14(19)8-4-2-3-7-13-10-15(20)11-16(21)17(13)18(22)23-12/h10-12,14,19-21H,2-9H2,1H3/t12-,14+/m0/s1",DWTTZBARDOXEAM-GXTWGEPZSA-N,alpha-Zearalanol,2999413
alpha-Zearalanol,O[C@@H]1CCCCCC(C=C2O)=C(C(O)=C2)C(O[C@@H](C)CCC1)=O,C18H26O5,8.94,345.1672439,181.6,[M+Na],1,"InChI=1S/C18H26O5/c1-12-6-5-9-14(19)8-4-2-3-7-13-10-15(20)11-16(21)17(13)18(22)23-12/h10-12,14,19-21H,2-9H2,1H3/t12-,14+/m0/s1",DWTTZBARDOXEAM-GXTWGEPZSA-N,alpha-Zearalanol,2999413
alpha-Zearalanone,O=C1CCCCCC2=CC(O)=CC(O)=C2C(O[C@@H](C)CCC1)=O,C18H24O5,10.24,321.1696539,172.62,[M+H],1,"InChI=1S/C18H24O5/c1-12-6-5-9-14(19)8-4-2-3-7-13-10-15(20)11-16(21)17(13)18(22)23-12/h10-12,20-21H,2-9H2,1H3/t12-/m0/s1",APJDQUGPCJRQRJ-LBPRGKRZSA-N,alpha-Zearalanone,108003
alpha-Zearalanone,O=C1CCCCCC2=CC(O)=CC(O)=C2C(O[C@@H](C)CCC1)=O,C18H24O5,10.24,343.1515939,177.99,[M+Na],1,"InChI=1S/C18H24O5/c1-12-6-5-9-14(19)8-4-2-3-7-13-10-15(20)11-16(21)17(13)18(22)23-12/h10-12,20-21H,2-9H2,1H3/t12-/m0/s1",APJDQUGPCJRQRJ-LBPRGKRZSA-N,alpha-Zearalanone,108003
beta-Estradiol-17-glucuronide,O([C@H]1[C@@H]([C@H]([C@@H]([C@@H](C(O)=O)O1)O)O)O)[C@H]1CC[C@]2([H])[C@]1(C)CC[C@]1([H])C3C=CC(=CC=3CC[C@@]21[H])O,C24H32O8,8.21,447.202438,217.72,[M-H],-1,"InChI=1S/C24H32O8/c1-24-9-8-14-13-5-3-12(25)10-11(13)2-4-15(14)16(24)6-7-17(24)31-23-20(28)18(26)19(27)21(32-23)22(29)30/h3,5,10,14-21,23,25-28H,2,4,6-9H2,1H3,(H,29,30)/t14-,15-,16+,17+,18+,19+,20-,21+,23-,24+/m1/s1",MTKNDAQYHASLID-QXYWQCSFSA-N,beta-Estradiol-17-glucuronide,5281887
beta-Estradiol-3-glucuronide,O[C@H]1CC[C@]2([H])[C@]1(C)CC[C@]1([H])C3C=CC(=CC=3CC[C@@]21[H])O[C@H]1[C@@H]([C@H]([C@@H]([C@@H](C(O)=O)O1)O)O)O,C24H32O8,8.21,447.202438,217.72,[M-H],-1,"InChI=1S/C24H32O8/c1-24-9-8-14-13-5-3-12(10-11(13)2-4-15(14)16(24)6-7-17(24)25)31-23-20(28)18(26)19(27)21(32-23)22(29)30/h3,5,10,14-21,23,25-28H,2,4,6-9H2,1H3,(H,29,30)/t14-,15-,16+,17+,18+,19+,20-,21+,23-,24+/m1/s1",MUOHJTRCBBDUOW-QXYWQCSFSA-N,beta-Estradiol-3-glucuronide,440713
beta-Estradiol-3-sulfate,S(O)(=O)(=O)OC1C=CC2=C(C=1)CC[C@]1([H])[C@]2([H])CC[C@]2(C)[C@H](CC[C@@]12[H])O,C18H24O5S,8.31,351.127165,193.17,[M-H],-1,"InChI=1S/C18H24O5S/c1-18-9-8-14-13-5-3-12(23-24(20,21)22)10-11(13)2-4-15(14)16(18)6-7-17(18)19/h3,5,10,14-17,19H,2,4,6-9H2,1H3,(H,20,21,22)/t14-,15-,16+,17+,18+/m1/s1",QZIGLSSUDXBTLJ-ZBRFXRBCSA-N,beta-Estradiol-3-sulfate,66416
beta-Pentedrone,CNC(CCC)C(C1=CC=CC=C1)=O,C12H17NO,3.96,192.1382942,145.72,[M+H],1,"InChI=1S/C12H17NO/c1-3-7-11(13-2)12(14)10-8-5-4-6-9-10/h4-6,8-9,11,13H,3,7H2,1-2H3",WLIWIUNEJRETFX-UHFFFAOYSA-N,beta-Pentedrone,57501499
beta-Pentedrone,CNC(CCC)C(C1=CC=CC=C1)=O,C12H17NO,3.96,174.1277342,138.32,[M+H-H2O],1,"InChI=1S/C12H17NO/c1-3-7-11(13-2)12(14)10-8-5-4-6-9-10/h4-6,8-9,11,13H,3,7H2,1-2H3",WLIWIUNEJRETFX-UHFFFAOYSA-N,beta-Pentedrone,57501499
beta-Zearalanol,OC1=C(C(O[C@@H](C)CCC[C@H]2O)=O)C(CCCCC2)=CC(O)=C1,C18H26O5,9.86,305.1747439,175.33,[M+H-H2O],1,"InChI=1S/C18H26O5/c1-12-6-5-9-14(19)8-4-2-3-7-13-10-15(20)11-16(21)17(13)18(22)23-12/h10-12,14,19-21H,2-9H2,1H3/t12-,14-/m0/s1",DWTTZBARDOXEAM-JSGCOSHPSA-N,beta-Zearalanol,65434
beta-Zearalanol,OC1=C(C(O[C@@H](C)CCC[C@H]2O)=O)C(CCCCC2)=CC(O)=C1,C18H26O5,9.86,345.1672439,180.34,[M+Na],1,"InChI=1S/C18H26O5/c1-12-6-5-9-14(19)8-4-2-3-7-13-10-15(20)11-16(21)17(13)18(22)23-12/h10-12,14,19-21H,2-9H2,1H3/t12-,14-/m0/s1",DWTTZBARDOXEAM-JSGCOSHPSA-N,beta-Zearalanol,65434