,Unnamed: 0.1,Unnamed: 0,id_X_x,premz,rtmed,rtmean,int,col_eng,pol,rtmin,rtmax,source_file,Formula,SMILES,Name,Source organisms,PubChemID,IUPAC,synonyms,AnnotationSources,AnnotationCount,MSILevel,superclass,class,subclass,ClassificationSource,SMILES_inSL
51,51,51,file_13M120R78ID52,120.080688476563,77.804973,77.9634473333333,8185432.731323,30,pos,72.799506,83.993436,./DS_201124_SC_full_PRM_pos_03.mzML,C9H11NO2,N[C@@H](CC1=CC=CC=C1)C(O)=O,Phenylalanine,,6140,(2S)-2-amino-3-phenylpropanoic acid,"['L-phenylalanine', 'phenylalanine', '63-91-2', '3-Phenyl-L-alanine', '(2S)-2-amino-3-phenylpropanoic acid', '(S)-2-Amino-3-phenylpropanoic acid', '(S)-Phenylalanine', '(S)-2-Amino-3-phenylpropionic acid', 'beta-Phenyl-L-alanine', '(L)-Phenylalanine', '3-Phenylalanine', 'H-Phe-OH', 'Antibiotic FN 1636', 'L-Alanine, phenyl-', 'Alanine, 3-phenyl-', 'L-Antibiotic FN 1636', '(S)-alpha-Amino-beta-phenylpropionic acid', 'L-Alanine, 3-phenyl-', 'Phenylalanine (VAN)', 'Fenilalanina [Spanish]', 'Phenylalaninum [Latin]', '(S)-alpha-Aminohydrocinnamic acid', 'Alanine, phenyl-, L-', 'FEMA No. 3585', '(S)-(-)-Phenylalanine', 'beta-Phenylalnine, (-)-', '(S)-alpha-Amino-benzenepropanoic acid', 'Phenylalanine, L-', 'Hydrocinnamic acid, alpha-amino-', '2-Amino-3-phenylpropionic acid, L-', 'Phenylalanine [USAN:INN:JAN]', 'HSDB 1825', 'alpha-Aminohydrocinnamic acid, L-', 'alpha-Amino-beta-phenylpropionic acid, L-', 'Benzenepropanoic acid, alpha-amino-, (S)-', '67675-33-6', 'fenilalanina', 'phe', 'alpha-Aminohydrocinnamic acid', 'endophenyl', 'NSC 79477', 'L-Phe', 'laevo-phenyl alanine', 'L-PHENYLALININE', 'CHEMBL301523', 'CHEBI:17295', '47E5O17Y3R', 'NSC-79477', 'Phenylalaninum', 'MFCD00064227', 'Phenylalamine', 'Phenylalanine (L-Phenylalanine)', 'Alanine, phenyl-', '.beta.-Phenylalanine', 'Phenyl-.alpha.-alanine', 'L-.beta.-Phenylalanine', '.beta.-Phenyl-L-alanine', '(-)-.beta.-Phenylalanine', 'EINECS 200-568-1', '.alpha.-Aminohydrocinnamic acid', '.beta.-Phenyl-.alpha.-alanine', 'Phenylalanine (USP/INN)', 'L-phenylaniline', 'Hydrocinnamic acid, .alpha.-amino-', 'UNII-47E5O17Y3R', 'CCRIS 4254', '.beta.-Phenyl-.alpha.-alanine, l-', 'L-phenyl Alanine', 'PheOH', '1usi', 'NCI9959', '(-)-phenylalanine', '.alpha.-Amino-.beta.-phenylpropionic acid', 'racemic phenylalanine', 'Phenylalanine [USAN:USP:INN:JAN]', '1f2p', 'alpha-Aminohydrocinnamate', '(-)-beta-Phenylalanine', 'L-Phenylalanine, 99%', 'beta-Phenyl-alpha-alanine', 'L-Phenylalanine (JP17)', 'PHENYLALANINE [II]', 'PHENYLALANINE [MI]', 'bmse000045', 'bmse000900', 'bmse000921', 'bmse001016', 'PHENYLALANINE [INN]', 'SCHEMBL8119', 'NCIStruc1_000204', 'NCIStruc2_000248', 'PHENYLALANINE [HSDB]', 'PHENYLALANINE [INCI]', 'PHENYLALANINE [USAN]', 'L-(-)-PHENYLALANINE', 'PHENYLALANINE [VANDF]', '(S)-alpha-Aminohydrocinnamate', 'L-Phenylalanine (H-Phe-OH)', 'L-PHENYLALANINE [FCC]', 'L-PHENYLALANINE [JAN]', 'PHENYLALANINE [MART.]', 'L-2-Amino-3-phenylpropionate', 'L-PHENYLALANINE [FHFI]', 'L-Phenylalanine, 99%, FCC', 'PHENYLALANINE [WHO-DD]', 'GTPL3313', '(S)-alpha-Aminobenzenepropanoate', 'DTXSID4040763', '(S)-2-amino-3-phenylpropanoate', 'BDBM18073', '(S)-2-Amino-3-phenylpropionate', '1F9436B3-8B0D-4AC6-A004-4249B0BDA436', 'L-PHENYLALANINE [USP-RS]', 'L-Phenylalanine non-animal source', '(S)-alpha-Amino-benzenepropanoate', 'L-2-Amino-3-phenylpropionic acid', 'ZINC105196', 'HY-N0215', 'L-2-amino-3-phenyl-propionic acid', 'PHENYLALANINE [EP MONOGRAPH]', '(S)-alpha-Aminobenzenepropanoic acid', 'AC8117', 'CCG-37572', 'NCGC00013103', 'PHENYLALANINE [USP MONOGRAPH]', 'L-[2,3,4,5,6-3H]phenylalanine', '(S)-alpha-Amino-beta-phenylpropionate', 'AKOS010373257', 'AKOS015853585', '(S)-.alpha.-Aminobenzenepropanoic acid', 'DB00120', 'L-Phenylalanine, Vetec(TM), 98.5%', 'L-Phenylalanine, reagent grade, >=98%', 'LEUCINE IMPURITY C [EP IMPURITY]', 'NCGC00013103-02', 'NCGC00013103-03', 'NCGC00013103-04', 'NCGC00013103-05', 'NCGC00095047-01', 'NCGC00095047-02', 'NCGC00095047-03', 'NCGC00095047-04', 'AC-22417', 'AS-14129', 'BP-20538', 'TYROSINE IMPURITY A [EP IMPURITY]', 'DB-029978', 'L-Phenylalanine, 99%, natural, FCC, FG', 'AM20060774', 'NATEGLINIDE IMPURITY D [EP IMPURITY]', 'P0134', 'Benzenepropanoic acid, .alpha.-amino-, (S)-', 'EN300-52626', 'L-Phenylalanine, BioUltra, >=99.0% (NT)', '63P912', 'A20654', 'C00079', 'D00021', 'M02961', 'L-Phenylalanine, SAJ special grade, >=99.0%', 'Q170545', 'L-.ALPHA.-AMINO-.BETA.-PHENYLPROPIONIC ACID', 'L-Phenylalanine, Vetec(TM) reagent grade, >=98%', 'Q-201326', 'L-Phenylalanine, Cell Culture Reagent (H-L-Phe-OH)', 'LYSINE HYDROCHLORIDE IMPURITY B [EP IMPURITY]', 'F0001-2360', 'Z756430566', 'L-Phenylalanine, certified reference material, TraceCERT(R)', 'Phenylalanine, European Pharmacopoeia (EP) Reference Standard', '3-(2-AMINOETHYL)-1,3-THIAZOLIDINE-2,4-DIONEHYDROCHLORIDE', 'L-Phenylalanine, United States Pharmacopeia (USP) Reference Standard', 'L(-)-phenylalanine; Beta-phenylalanine;Dl-2-amino-3-phenylpropanoic acid;', 'L-Phenylalanine, analytical standard, for Nitrogen Determination According to Kjeldahl Method', 'L-Phenylalanine, Pharmaceutical Secondary Standard; Certified Reference Material', 'L-Phenylalanine, from non-animal source, meets EP, JP, USP testing specifications, suitable for cell culture, 98.5-101.0%']",GNPS|suspectlist,1.0,2.0,Organic acids and derivatives,Carboxylic acids and derivatives,"Amino acids, peptides, and analogues",ClassyFire,C1=CC=C(C=C1)C[C@@H](C(=O)O)N
58,58,58,file_13M182R112ID59,182.081237792969,112.368735,111.6835674,35190017.39081,30,pos,105.1269,116.186088,./DS_201124_SC_full_PRM_pos_03.mzML,C9H11NO3,N[C@@H](CC1=CC=C(O)C=C1)C(O)=O,Tyrosine,,6057,(2S)-2-amino-3-(4-hydroxyphenyl)propanoic acid,"['L-tyrosine', 'tyrosine', '60-18-4', '(S)-Tyrosine', 'p-Tyrosine', 'L-p-Tyrosine', '(2S)-2-amino-3-(4-hydroxyphenyl)propanoic acid', 'H-Tyr-OH', '4-Hydroxy-L-phenylalanine', 'Tyrosine, L-', 'Tyrosinum [Latin]', 'Tyrosine (VAN)', 'Tirosina [Spanish]', 'L-(-)-Tyrosine', '(-)-alpha-Amino-p-hydroxyhydrocinnamic acid', 'L-Phenylalanine, 4-hydroxy-', 'beta-(p-Hydroxyphenyl)alanine', 'Tyrosine [USAN:INN]', 'FEMA No. 3736', '(S)-alpha-Amino-4-hydroxybenzenepropanoic acid', 'L-2-Amino-3-p-hydroxyphenylpropanoic acid', '3-(4-Hydroxyphenyl)-L-alanine', '(S)-3-(p-Hydroxyphenyl)alanine', '(S)-(-)-Tyrosine', 'HSDB 2003', 'alpha-Amino-beta-(4-hydroxyphenyl)propionic acid', 'AI3-09055', 'tirosina', 'Propanoic acid, 2-amino-3-(4-hydroxyphenyl)-, (S)-', 'NSC 82624', 'alpha-Amino-p-hydroxyhydrocinnamic acid, (-)-', 'L-Tyr', '(S)-2-Amino-3-(4-hydroxyphenyl)propanoic acid', '(S)-2-Amino-3-(p-hydroxyphenyl)propionic acid', 'L-Tyrosine, monomer', 'alpha-Amino-4-hydroxybenzenepropanoic acid, (S)-', '2-Amino-3-(4-hydroxyphenyl)propanoic acid, (S)-', 'Benzenepropanoic acid, alpha-amino-4-hydroxy-, (S)-', 'MFCD00002606', 'tyr', '25619-78-7', 'CHEBI:17895', 'NSC-82624', '42HK56048U', 'NCGC00159350-02', 'Tyrosine (L-Tyrosine)', 'Tyrosinum', 'DSSTox_CID_3730', 'L-Tyrosin', '(-)-.alpha.-Amino-p-hydroxyhydrocinnamic acid', 'DSSTox_RID_77170', 'DSSTox_GSID_23730', 'CAS-60-18-4', 'L-Tyrosine (9CI)', '4ts1', 'Tyrosine (USP/INN)', 'EINECS 200-460-4', 'plovamer-acetate', 'Benzenepropanoate', 'UNII-42HK56048U', '2csm', '(S)-2-Amino-3-(4-hydroxyphenyl)propionic acid', '(L)-Tyrosine', '(-) tyrosine', 'H-Tyr', 'L-Tyrosine,(S)', 'L-Tyrosine (JP17)', 'TYROSINE [HSDB]', 'TYROSINE [INCI]', 'TYROSINE [USAN]', 'TYROSINE [INN]', 'TYROSINE [II]', 'TYROSINE [MI]', 'L-TYR-OH', 'TYROSINE [VANDF]', 'Tyrosine, L- (8CI)', '.alpha.-Amino-.beta.-(4-hydroxyphenyl)propionic acid', 'L-TYROSINE [FCC]', 'L-TYROSINE [JAN]', 'Melanin synthesized from Tyr substrate catalyzed by tyrosinase for 6 hrs', 'TYROSINE [MART.]', 'bmse000051', 'CHEMBL925', 'L-TYROSINE [FHFI]', 'TYROSINE [WHO-DD]', 'SCHEMBL1581', 'L-[U-14C]Tyr', 'L-Phenylalanine-4-hydroxy-', 'L-Tyrosine non-animal source', 'L-TYROSINE [USP-RS]', 'Levodopa impurity, l-tyrosine-', 'TYROSINE [ORANGE BOOK]', 'GTPL4791', 'L-Tyrosine, >=97%, FG', 'TYROSINE [EP MONOGRAPH]', 'DD69927C-C6A8-4BC6-8E9A-0AB423B176E7', 'DTXSID1023730', 'TYROSINE [USP MONOGRAPH]', 'BDBM18129', 'ZINC266964', 'N-acetyl-o-(dihydroxymethylsilyl)-', 'HY-N0473', 'L-Tyrosine, Vetec(TM), 98.5%', 'Tox21_111594', '(-)-a-Amino-p-hydroxyhydrocinnamate', 'AC2634', 's4608', 'AKOS010400205', 'Tox21_111594_1', '(S)-a-Amino-4-hydroxybenzenepropanoate', 'AM82304', 'CS-8013', 'DB00135', '(-)-alpha-Amino-p-hydroxyhydrocinnamate', '(-)-a-Amino-p-hydroxyhydrocinnamic acid', '(S)-3-(4-HYDROXYPHENYL)ALANINE', '(S)-a-amino-4-hydroxy-Benzenepropanoate', 'NCGC00159350-03', 'NCGC00344525-01', 'AC-11295', 'AS-11772', 'BP-13285', 'LEVODOPA IMPURITY B [EP IMPURITY]', '(S)-alpha-Amino-4-hydroxybenzenepropanoate', 'DIETHYL1,3,5-BENZENETRICARBOXYLATE', 'L-Tyrosine, BioUltra, >=99.0% (NT)', '(S)-2-Amino-3-(p-hydroxyphenyl)propionate', '(S)-a-Amino-4-hydroxybenzenepropanoic acid', 'DB-029987', 'L-Tyrosine, Free Base - CAS 60-18-4', '(S)-a-amino-4-hydroxy-Benzenepropanoic acid', '(S)-alpha-amino-4-hydroxy-Benzenepropanoate', 'L-Tyrosine, reagent grade, >=98% (HPLC)', 'L-Tyrosine, SAJ special grade, >=99.0%', 'T0550', 'EN300-52629', 'C00082', 'D00022', 'D70837', 'L-Tyrosine, Vetec(TM) reagent grade, >=98%', 'M02963', '(2S)-2-amino-3-(4-hydroxyphenyl)propanoicacid', '(S)-alpha-amino-4-hydroxy-Benzenepropanoic acid', 'L-Tyrosine, Cell Culture Reagent (H-L-Tyr-OH)', '(S)-.alpha.-Amino-4-hydroxybenzenepropanoic acid', '002T606', '2-Amino-3-(4-hydroxyphenyl)propanoic acid-(S)-', 'A832631', 'N-ACETYLTYROSINE IMPURITY A [EP IMPURITY]', 'Q188017', 'J-521656', 'Propanoic acid, 2-amino-3-(4-hydroxyphenyl)-(S)-', 'LEVODOPA IMPURITY, L-TYROSINE- [USP IMPURITY]', 'Q27115106', 'Benzenepropanoic acid, .alpha.-amino-4-hydroxy-, (S)-', 'F8889-8713', 'L-Tyrosine, certified reference material, TraceCERT(R)', 'Tyrosine, European Pharmacopoeia (EP) Reference Standard', 'Z756440046', 'L-Tyrosine, United States Pharmacopeia (USP) Reference Standard', '2-amino-3-(4-hydroxyphen yl)-2-amino-3-(4-hydroxyphenyl)-Propanoate', '2-amino-3-(4-hydroxyphen yl)-2-amino-3-(4-hydroxyphenyl)-Propanoic acid', 'Benzeneethanaminium,a-carboxy-4-hydroxy-N,N,N-trimethyl-,inner salt,(as)-', 'Benzeneethanaminium, a-carboxy-4-hydroxy-N,N,N-trimethyl-,inner salt, (aS)-', '1189756-47-5', 'L-Tyrosine, from non-animal source, meets EP, USP testing specifications, suitable for cell culture, >=99.0%']",nan|suspectlist,3.0,2.0,Organic acids and derivatives,Carboxylic acids and derivatives,"Amino acids, peptides, and analogues",CANOPUS,C1=CC(=CC=C1C[C@@H](C(=O)O)N)O
60,60,60,file_13M116R137ID61,116.07039642334,136.875072,137.1806736,1699382159.216,30,pos,132.206244,144.08265,./DS_201124_SC_full_PRM_pos_03.mzML,C5H12N2O2,C(CC(C(=O)O)N)CN,DL-Ornithine,,389,"2,5-diaminopentanoic acid","['DL-Ornithine', '2,5-Diaminopentanoic acid', '616-07-9', 'Ornithine, DL-', '(+/-)-Ornithine', '2,5-Diaminovaleric acid', '128551-39-3', 'CHEBI:18257', 'L-Ornithine-[2,3-3H]', '2381769MQC', '2,5-Diaminopentanoate', 'Ornithine DL-form', 'NSC118360', 'UNII-2381769MQC', 'EINECS 210-463-2', '(RS)-ORNITHINE', 'NCGC00183365-01', 'SCHEMBL8578', '2,5-Diamino-pentanoic acid', 'ORNITHINE DL-FORM [MI]', 'CHEMBL2009502', 'DTXSID00860383', 'HMS3264G21', 'ALBB-005910', 'LMFA01100057', 'NSC169844', 'STK503614', 'AKOS005171631', 'NSC-169844', 'NCGC00183365-02', '(S)-.alpha.,.delta.-Diaminovaleric acid', '7006-33-9', 'NCI60_000440', 'SBI-0053903.P002', 'BB 0261812', 'FT-0625496', 'FT-0627977', 'EN300-34024', 'C01602', 'AB01563203_01', 'L001064', 'SR-01000872727', 'SR-01000872727-1', 'Q27102952', 'C7601A40-40C3-4A94-97FF-26B2E32A816E']",GNPS|suspectlist,1.0,2.0,Organic acids and derivatives,Carboxylic acids and derivatives,"Amino acids, peptides, and analogues",ClassyFire,C(C[C@@H](C(=O)O)N)CN
62,62,62,file_13M104R182ID63,104.106819152832,181.918962,182.107227,260026818.9373,30,pos,176.527182,188.362476,./DS_201124_SC_full_PRM_pos_03.mzML,C5H14NO+,C[N+](C)(C)CCO,Choline,synthesize phosphatidylcholine,305,2-hydroxyethyl(trimethyl)azanium,"['choline', 'Choline ion', 'Bilineurine', '62-49-7', 'Choline cation', '2-Hydroxy-N,N,N-trimethylethanaminium', 'Cholinum', 'Ethanaminium, 2-hydroxy-N,N,N-trimethyl-', '(2-Hydroxyethyl)trimethylammonium', 'trimethylethanolamine', 'N-trimethylethanolamine', 'vitamin J', '2-hydroxyethyl(trimethyl)azanium', 'CCRIS 5847', 'AI3-24208', 'BRN 1736748', 'N,N,N-trimethylethanol-ammonium', 'CHEBI:15354', '(beta-hydroxyethyl)trimethylammonium', 'CHEMBL920', 'N91BDP6H0X', '(2-hydroxyethyl)trimethylazanium', '2-hydroxy-N,N,N-trimethyl-ethanaminium', 'Bilineurine; Choline cation; Choline ion; Nanoveson C; Vitamin J', 'CHT', 'NSC402838', 'NCGC00015219-03', 'EINECS 200-535-1', 'UNII-N91BDP6H0X', '2-hydroxyethyl(trimethyl)ammonium', '1oba', '2reg', '3ppq', 'Choline (DCF)', 'Choline (8CI)', 'NANOVESON C', 'Spectrum_000258', '2ha3', '3r6u', 'CHOLINE [VANDF]', 'CHOLINE [MI]', 'Spectrum2_001938', 'Spectrum4_000867', 'Spectrum5_001579', 'Lopac-C-1754', 'CHOLINE [WHO-DD]', 'bmse000285', 'bmse000953', 'bmse001003', 'Epitope ID:116046', 'SCHEMBL3142', 'Lopac0_000180', 'KBioGR_001533', 'KBioSS_000738', '3-04-00-00651 (Beilstein Handbook Reference)', 'DivK1c_000107', 'N,N,N-trimethylethanolammonium', 'SPBio_001975', 'GTPL4551', 'DTXSID8043789', 'KBio1_000107', 'KBio2_000738', 'KBio2_003306', 'KBio2_005874', 'NSC6393', 'NINDS_000107', '(2-Hydroxyethyl)trimethyl ammonium', 'mono-2-hydroxyethyltrimethylammonium', 'NSC-6393', 'ZINC3079337', 'BBL005532', 'BDBM50026220', 'STL137772', 'AKOS005721137', '2-HYDROXYETHYL)TRIMETHYLAMMONIUM', 'CCG-204275', 'DB00122', 'IDI1_000107', 'NCGC00015219-01', 'NCGC00015219-02', 'NCGC00015219-04', 'NCGC00015219-07', 'NCGC00015219-10', 'NCGC00162082-01', 'CARBACHOL IMPURITY A [EP IMPURITY]', 'SBI-0050168.P003', '2-Hydroxy-N,N,N-trimethylammonium chloride', '(.BETA.-HYDROXYETHYL)TRIMETHYLAMMONIUM', 'C00114', 'D07690', 'AB00053822_02', 'Ethanaminium, 2-hydroxy-N,N,N-trimethyl- (9CI)', 'Q193166', 'ACETYLCHOLINE CHLORIDE IMPURITY A [EP IMPURITY]']",SIRIUS|suspectlist,1.0,3.0,Organic nitrogen compounds,Organonitrogen compounds,Quaternary ammonium salts,CANOPUS,C[N+](C)(C)CCO
122,122,122,file_14M136R65ID48,136.061782836914,64.605552,64.18376244,6411348.882324,30,pos,59.2752282,68.598402,./DS_201124_SC_full_PRM_pos_04.mzML,C10H13N5O4,OC[C@@H](O1)[C@@H](O)[C@@H](O)[C@@H]1n(c3)c(n2)c(n3)c(N)nc2,Adenosine,,60961,"(2R,3R,4S,5R)-2-(6-aminopurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol","['adenosine', '58-61-7', 'Adenocard', 'Adenoscan', 'Adenine riboside', 'beta-D-Adenosine', 'Nucleocardyl', 'Adenosin', 'Boniton', 'Sandesin', 'Myocol', 'Adenine nucleoside', 'Adenocor', 'beta-Adenosine', '9-beta-D-Ribofuranosyladenine', '9-beta-D-Ribofuranosidoadenine', '9-beta-D-Ribofuranosyl-9H-purin-6-amine', 'Adenosin [German]', 'USAF CB-10', '9beta-D-Ribofuranosyladenine', '6-Amino-9-beta-D-ribofuranosyl-9H-purine', 'Ade-Rib', 'Caswell No. 010B', '(2R,3R,4S,5R)-2-(6-Aminopurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol', 'SR 96225', 'Adenosine [USAN:BAN]', '(2R,3R,4S,5R)-2-(6-amino-9H-purin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol', 'beta-D-Ribofuranoside, adenine-9', '6-Amino-9beta-D-ribofuranosyl-9H-purine', '(2R,3R,4S,5R)-2-(6-amino-9H-purin-9-yl)-5-(hydroxymethyl)tetrahydrofuran-3,4-diol', 'CHEBI:16335', 'Quinquefolan B', '3H-adenosine', 'NSC 7652', 'Dehydran 240', 'SR-96225', '9-.beta.-d-Ribofuranosyladenine', 'Adenosine (Adenocard)', 'AI3-52413', '9H-Purin-6-amine, 9beta-D-ribofuranosyl-', 'CHEMBL477', 'D-Adenosine', 'beta-D-Ribofuranose, 1-(6-amino-9H-purin-9-yl)-1-deoxy-', 'adenine-D-ribose', 'K72T3FS567', 'NSC-7652', 'CCRIS 2557', '9-?-D-Ribofuranosyl-9H-purin-6-amine', 'NCGC00023673-05', 'Pallacor', '41547-82-4', 'MFCD00005752', 'DSSTox_CID_2558', 'DSSTox_RID_76628', 'DSSTox_GSID_22558', '109767-06-8', '133248-01-8', '.beta.-D-Adenosine', 'CAS-58-61-7', 'Adenocard (TN)', 'Adenoscan (TN)', 'SMR000058216', 'MEDR-640', 'Adenosine (JAN/USP)', 'SR-05000001981', 'EINECS 200-389-9', 'Adenine-beta-D-arabinofuranoside', 'NSC 627048', 'NSC7652', 'Adenogesic', 'Adenosine [USAN:USP:BAN]', 'Adenin riboside', 'UNII-K72T3FS567', '.beta.-D-Ribofuranoside, adenine-9', '9-.alpha.-D-Arabinofuranosyladenine', 'NSC627048', 'b-D-Adenosine', 'HSDB 7774', 'SUN-Y4001', 'N6-Methylado', '1dgm', '1odi', '2fqy', '2ydo', '3axz', '4cki', '4ckj', 'Adenosine,(S)', 'beta-delta-Adenosine', '[U-14C]adenosine', '6-Amino-9.beta.-D-ribofuranosyl-9H-purine', '2gl0', '3ay0', '4pd9', 'Adenosine, >=99%', 'ADENOSINE [JAN]', 'ADENOSINE [MI]', '6-Amino-9-.beta.-ribofuranosyl-9H-purine', 'ADENOSINE [HSDB]', 'ADENOSINE [INCI]', 'ADENOSINE [USAN]', 'Spectrum2_001257', 'Spectrum3_000288', 'ADENOSINE [VANDF]', 'cid_191', 'SCHEMBL731', 'ADENOSINE [MART.]', 'bmse000061', 'bmse000996', 'Epitope ID:140947', 'ADENOSINE [USP-RS]', 'ADENOSINE [WHO-DD]', '4-Aminopyrazolo[3,4-d]pyrimidine ribonucleoside', '9-ss-D-Ribofuranosyladenine', 'BSPBio_001796', '.beta.-D-Ribofuranose, 1-(6-amino-9H-purin-9-yl)-1-deoxy-', 'cid_60961', 'MLS000069638', 'MLS002153227', 'MLS006010946', 'SPECTRUM1500107', 'Adenine-9-ss-D-ribofuranoside', 'REGID_for_CID_60961', 'SPBio_001194', 'adenine-9beta-D-Ribofuranoside', 'GTPL2844', '9beta-delta-Ribofuranosyladenine', 'ADENOSINE [EP IMPURITY]', 'ADENOSINE [ORANGE BOOK]', 'ADENOSINE [EP MONOGRAPH]', 'DTXSID1022558', 'BDBM14487', 'KBio3_001296', '9-beta-delta-Ribofuranosyladenine', 'ADENOSINE [USP MONOGRAPH]', 'EA6C60C2-6AFB-4264-A2F0-541373DB950E', '9-.beta.-D-Ribofuranosidoadenine', '9-beta-delta-Ribofuranosidoadenine', 'adenine-9beta-delta-Ribofuranoside', 'Bio1_000437', 'Bio1_000926', 'Bio1_001415', 'HMS1920A13', 'HMS2091G13', 'HMS2235E24', 'HMS3884O04', 'Pharmakon1600-01500107', 'ACT02616', 'ALBB-032827', 'AMY30083', 'ZINC2169830', '9-beta-delta-Arabinofuranosyladenine', 'Tox21_110891', 'AC7861', 'CCG-38824', 'HB2843', 'NSC755857', 's1647', 'AKOS015888594', 'Tox21_110891_1', 'AC-8229', 'AM83931', 'DB00640', 'NSC-755857', 'SDCCGMLS-0003108.P003', '9beta-D-ribofuranosyl-9H-Purin-6-amine', 'NCGC00023673-03', 'NCGC00023673-04', 'NCGC00023673-06', 'NCGC00023673-07', 'NCGC00023673-10', 'NCGC00023673-20', 'NCGC00178869-03', 'AC-27494', 'AS-12664', 'Adenosine, Vetec(TM) reagent grade, 98%', 'SBI-0206673.P002', '9beta-delta-ribofuranosyl-9H-Purin-6-amine', 'DB-022408', '6-Amino-9beta-delta-ribofuranosyl-9H-purine', '9-.beta.-D-Ribofuranosyl-9H-purin-6-amine', '9-beta-delta-Ribofuranosyl-9H-purin-6-amine', 'A0152', '9H-Purin-6-amine, 9-.beta.-d-ribofuranosyl-', 'C00212', 'D00045', 'EN300-100931', 'AB00384349-11', 'AB00384349_13', 'AB00384349_14', 'Adenosine, BioReagent, suitable for cell culture', 'Q190012', '6-AMINO-9-.BETA.-D-RIBOFURANOSYL-9H-PURINE', 'SR-05000001981-1', 'SR-05000001981-2', 'Z1341543331', '1-(6-amino-9H-purin-9-yl)-1-deoxy-beta-D-Ribofuranose', 'Adenosine, European Pharmacopoeia (EP) Reference Standard', 'Formycin A, from Streptomyces kaniharaensis, >=98% (HPLC)', '1-(6-amino-9H-purin-9-yl)-1-deoxy-beta-delta-Ribofuranose', 'Adenosine, United States Pharmacopeia (USP) Reference Standard', 'Adenosine, Pharmaceutical Secondary Standard; Certified Reference Material', '(2R,3R,4S,5R)-2-(6-aminopurin-9-yl)-5-(hydroxymethyl)tetrahydrofuran-3,4-diol', '142796-17-6']",MassBank|GNPS|suspectlist,2.0,2.0,"Nucleosides, nucleotides, and analogues",Purine nucleosides,,ClassyFire,C1=NC(=C2C(=N1)N(C=N2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)N
126,126,126,file_14M166R79ID52,166.086135864258,78.599355,78.715356,18245344.82181,30,pos,73.46976,84.65094,./DS_201124_SC_full_PRM_pos_04.mzML,C9H11NO2,C1=CC=C(C=C1)CC(C(=O)O)N,DL-Phenylalanine,,994,2-amino-3-phenylpropanoic acid,"['DL-PHENYLALANINE', '150-30-1', '2-amino-3-phenylpropanoic acid', 'DL-3-Phenylalanine', 'H-DL-Phe-OH', 'DLPA', 'Phenylalanine DL-form', 'Alanine, phenyl-, dl-', 'Phenylalanine, dl-', 'DL-2-Amino-3-phenylpropanoic acid', 'FEMA No. 3726', '2-Amino-3-phenylpropionic acid', 'DL-.beta.-Phenylalanine', 'NSC 9959', 'alpha-Amino-beta-phenylpropionic acid', '2-Amino-3-phenylpropionic acid, dl-', 'DL-alpha-Amino-beta-phenylpropionic acid', 'NSC9959', '.beta.-Phenylalanine, dl-', '(+/-)-2-Amino-3-phenylpropionic acid', '30394-07-1', 'CHEBI:28044', '8P946UF12S', 'DL-.beta.-Phenyl-.alpha.-alanine', 'NSC-9959', 'DL-.alpha.-Amino-.beta.-phenylpropionic acid', 'fenilalanina', 'Phenylalamine', '3617-44-5', 'phenylalanin', 'Alanine, phenyl-', '.beta.-Phenylalanine', 'Phenyl-.alpha.-alanine', 'D-.beta.-Phenylalanine', 'L-.beta.-Phenylalanine', '.beta.-Phenyl-L-alanine', '(-)-.beta.-Phenylalanine', 'alpha-Aminohydrocinnamic acid, dl-', 'EINECS 205-756-7', 'MFCD00064225', '.alpha.-Aminohydrocinnamic acid', '.beta.-Phenyl-.alpha.-alanine', 'Hydrocinnamic acid, .alpha.-amino-', 'UNII-8P946UF12S', 'AI3-18436', 'CCRIS 8601', '.beta.-Phenyl-.alpha.-alanine, l-', 'MFCD00004270', 'MFCD00064227', 'NSC-25005', 'Butane,4-dichloro-1,4-diphenyl', 'd,l-phenylalanine', 'DL-phenyl alanine', 'd,1-phenylalanine', '(RS)-phenylalanine', '.alpha.-Amino-.beta.-phenylpropionic acid', '(+/-)-phenylalanine', 'PHENYLALANINE DL', 'L-Phenylalanine-[d7]', 'PHENYLALANINE,DL-', '(.+-.)-Phenylalanine', 'Phe142', 'D,L-PHE', 'DSSTox_CID_3463', '(DL)-PHENYLALANINE', '(.+/-.)-Phenylalanine', 'dextro,laevo-phenyl alanine', 'ASPARTAME IMPURITY C', 'H-Phe-OH(N15)', 'WLN: QVYZ1R -L', 'SCHEMBL8118', 'DSSTox_RID_77037', 'NCIOpen2_000782', 'DSSTox_GSID_23463', 'C6H5CH2CH(NH2)COOH', 'CHEMBL25080', 'DL-PHENYLALANINE [FCC]', '2-amino 3-phenylpropionic acid', 'DL-PHENYLALANINE [FHFI]', 'DL-Phenylalanine, 99%, FCC', 'DTXSID9023463', '2-Amino-3-phenyl-propionic acid', 'DL-PHENYLALANINE [WHO-DD]', 'HMS1668C09', 'PHENYLALANINE DL-FORM [MI]', 'ACT07262', 'BCP16807', 'HY-B1732', 'NSC25005', 'NSC79477', 'Tox21_110011', 'NSC620354', 'STL194273', 'AKOS000118905', 'AKOS016842339', 'AB00345', 'AB02573', 'AB02575', 'CS-W018529', 'NSC-620354', 'DL-Phenylalanine, ReagentPlus(R), 99%', 'NCGC00013103-01', 'NCGC00186640-01', 'AC-24032', 'AS-12096', 'CAS-150-30-1', 'NCI60_042233', 'SY001531', 'SY005120', 'DL-2-AMINO-3-PHENYLPROPIONIC ACID', 'DB-014764', 'DB-056521', 'AM20060828', 'FT-0605139', 'FT-0625503', 'FT-0627991', 'FT-0641824', 'P0136', 'DL-Phenylalanine, puriss., >=99.0% (NT)', 'EN300-17980', '(+/-)-.BETA.-PHENYL-.ALPHA.-ALANINE', '(+/-)-3-PHENYL-2-AMINOPROPANOIC ACID', 'C02057', 'D77851', 'DL-Phenylalanine, Vetec(TM) reagent grade, 98%', 'Q-101532', 'Q27103475', 'Z57127433', '405050EF-CE0F-49DD-B7BE-91B88285C2EE', 'F2191-0209']",SIRIUS|MassBank|suspectlist,2.0,2.0,Organic acids and derivatives,Carboxylic acids and derivatives,"Amino acids, peptides, and analogues",CANOPUS,C1=CC=C(C=C1)C[C@@H](C(=O)O)N
127,127,127,file_14M132R88ID53,132.101791381836,88.32228,89.0520457894737,48524626.18837,30,pos,82.098198,98.4516,./DS_201124_SC_full_PRM_pos_04.mzML,C6H13NO2,CCC(C)C(N)C(=O)O,DL-Isoleucine,,791,2-amino-3-methylpentanoic acid,"['DL-ISOLEUCINE', '443-79-8', '2-Amino-3-methylpentanoic acid', 'DL-Allo-isoleucine', 'H-DL-allo-Ile-OH', '2-amino-3-methyl-pentanoic acid', 'DL-Alloisoleucine', 'Isoleucine, DL-', '2095501-92-9', '3107-04-8', 'CHEBI:38264', 'DL-2-Amino-3-methylpentanoic acid', 'NCGC00181164-01', 'DSSTox_CID_26882', 'DSSTox_RID_81986', 'DSSTox_GSID_46882', 'Isoleucine, allo-', 'Isoleucine, threo-', 'L-Isoleucine, allo-', 'L-Isoleucine, threo-', 'CAS-443-79-8', 'H-DL-Ile-OH', 'NSC-9958', 'NSC46708', 'MFCD00004268', 'MFCD00064221', 'MFCD00064222', 'MFCD00066445', 'MFCD00066446', '(dl)-isoleucine', 'Isoleucine #', 'NSC-206282', 'Norvaline, threo-', 'L(+)-Isoleucine', 'Cyclohexylphenylether', 'Norvaline, erythro-', '(+/-)-Isoleucine', 'L-Norvaline, threo-', '(+/-)-erythro-2-Amino-3-methylpentanoic acid', '(+/-)-erythro-form', 'ISOLEUCINE,(L)', '(2S,3S)-2-azaniumyl-3-methyl-pentanoate', '(+/-)-erythro-Isoleucine', 'SCHEMBL8868', 'Acetic acid, (R*,R*)-', 'WLN: QVYZY2&1 -L', 'CHEMBL297800', '2-amino-3-methyl pentanoic acid', 'FEMA 3295', 'DTXSID80901480', 'NSC9958', 'WLN: QVYZY2&1 -L,ALLO', 'Pentanoic acid, [S-(R*,R*)]-', 'Pentanoic acid, [S-(R*,S*)]-', 'Tox21_112765', 'BBL100034', 'FD3037', 'MFCD00065934', 'NSC206282', 'STL185601', 'AKOS000120120', 'AKOS016051419', 'DL-Allo-isoleucine (H-DL-xiIle-OH)', 'Tox21_112765_1', 'CS-W013422', 'HY-W012706', 'PB48180', 'SB75593', '.alpha.-Amino-.beta.-methylvaleric acid', 'NCGC00274084-01', '34464-35-2', 'AC-24098', 'AS-49219', 'SY017751', 'SY022275', 'SY022276', 'SY022277', 'SY022340', '(2r,3r)-2-amino-3-methyl-pentanoic acid', 'DB-017950', 'DB-043068', 'DB-043069', 'A0212', 'FT-0600464', 'FT-0620923', 'FT-0624403', 'FT-0625476', 'FT-0626870', 'FT-0631944', 'FT-0633618', 'FT-0773006', 'EN300-19355', 'I-7875', 'A826561', 'SR-01000944853', 'SR-01000944853-1', 'Q27117434', 'Q60662693', 'Z104473608', 'B821F6FC-012D-4267-ABE2-AA1F36808C01', '7004-09-3']",SIRIUS|MassBank|GNPS|suspectlist,3.0,2.0,Organic acids and derivatives,Carboxylic acids and derivatives,"Amino acids, peptides, and analogues",CANOPUS,CC[C@H](C)[C@@H](C(=O)O)N
129,129,129,file_14M232R100ID55,232.154083251953,99.52734,99.8961216,19639273.98593,30,pos,95.614848,104.79441,./DS_201124_SC_full_PRM_pos_04.mzML,C11H21NO4,CCCC(=O)O[C@H](CC([O-])=O)C[N+](C)(C)C,Butyrylcarnitine,,213144,(3R)-3-butanoyloxy-4-(trimethylazaniumyl)butanoate,"['Butyrylcarnitine', '25576-40-3', 'Butyryl-L-carnitine', 'O-butanoyl-L-carnitine', 'L-Carnitine butyryl ester', 'n-Butyryl-L-(-)-carnitin', 'O-butanoyl-carnitine', 'O-Butanoylcarnitine', '3-butanoyloxy-4-trimethylammonio-butanoate', '(R)-3-(butyryloxy)-4-(trimethylammonio)butanoate', '(3R)-3-(butanoyloxy)-4-(trimethylazaniumyl)butanoate', 'n-Butyryl-L-(-)-carnitin [German]', 'BRN 4138519', 'O-butanoyl-(R)-carnitine', 'n-Butyryl-L(-)-carnitine', 'SCHEMBL886918', '(3R)-3-butanoyloxy-4-(trimethylazaniumyl)butanoate', 'CHEBI:21949', 'DTXSID10180266', 'LMFA07070003', 'AKOS037646006', '1-Propanaminium, 3-carboxy-N,N,N-trimethyl-2-(1-oxobutoxy)-, inner salt, (R)-', 'Ammonium, (3-carboxy-2-hydroxypropyl)trimethyl-, hydroxide, inner salt, butyrate, L-', 'Butyryl-carnitine; AIF; CE0; CorrDec', 'AS-65654', 'Butyryl-L-carnitine, >=97.0% (TLC)', 'HY-113168', 'CS-0062329', '(3-carboxy-2-hydroxypropyl)trimethyl-L-butyrate', '(3R)-3-(butyryloxy)-4-(trimethylammonio)butanoate', '(3R)-3-(butyryloxy)-4-(trimethylazaniumyl)butanoate', 'Q27109418', '(R)-3-carboxy-N,N,N-trimethyl-2-(1-oxobutoxy)-1-Propanaminium', 'ester with (3-carboxy-2-hydroxypropyl)trimethylammonium  L-Butyric acid', 'ester with L-(3-carboxy-2-hydroxypropyl)trimethylammonium Butyric acid']",nan|suspectlist,1.0,2.0,Lipids and lipid-like molecules,Fatty Acyls,Fatty acid esters,ClassyFire,CCCC(=O)O[C@H](CC(=O)[O-])C[N+](C)(C)C
143,143,143,file_14M175R355ID69,175.118896484375,355.321998,355.343937913043,15002520.88035,30,pos,349.493154,361.351464,./DS_201124_SC_full_PRM_pos_04.mzML,C6H14N4O2,C(CC(C(=O)O)N)CN=C(N)N,DL-Arginine,,232,2-amino-5-(diaminomethylideneamino)pentanoic acid,"['DL-Arginine', '7200-25-1', 'Arginine, DL-', '2-amino-5-guanidinopentanoic acid', 'H-DL-Arg-OH', '7004-12-8', 'MFCD00063117', 'FL26NTK3EP', '2-amino-5-carbamimidamidopentanoic acid', 'DL-2-Amino-5-guanidinopentanoic acid', 'DL-Arginine, free base', 'arginin', 'WLN: MUYZM3YZVQ &GH', '(+-)-Arginine', 'Arginine monohydrochloride, L-(+)-', 'UNII-FL26NTK3EP', 'laevo-arginine', 'Harg', 'CCRIS 8597', 'DL arginine', 'MFCD00063116', 'NSC203450', '3h-arginine', 'L-Arginine Base', 'Arginine #', 'NCGC00015064-02', 'Amino acid(Arg-)', 'L-arginine;Arginine', 'EINECS 230-571-3', 'arginine + ornithine', 'L-ARGININE,', 'Arg130', 'SCHEMBL1790', 'SCHEMBL290308', 'DTXSID8022618', 'SCHEMBL13337955', 'CHEBI:29016', 'N~5~-(diaminomethylidene)ornithine', 'Ornithine, N5-(aminoiminomethyl)-', 'BCP29342', 'BCP34416', 'HY-N0454', 'L-2-Amino-5-guanidinovaleric Acid', 'BBL028093', 'DL-Arginine, >=97.0% (NT)', 'NSC206269', 's5549', 'STL186110', 'STL191431', 'AKOS001042136', 'AKOS016050614', 'AKOS022902523', 'AM81501', 'CCG-266392', 'Norvaline, 5-[(aminoiminomethyl)amino]-', 'AS-14180', 'SY018359', 'SY061688', '2-amino-5-(carbamimidamido)pentanoic acid', 'DB-043338', 'CS-0008983', 'FT-0624451', 'FT-0625437', 'FT-0627695', 'EN300-34006', 'A-8570', 'A-8571', 'C02385', '200A251', 'L000918', 'H-D-Arg-OH;(R)-2-amino-5-guanidinopentanoic acid', 'Pentanoic acid, 2-amino-5-[(aminoiminomethyl)amino]-', 'Q27104032', 'Z56896349']",nan|suspectlist,2.0,2.0,Organic acids and derivatives,Carboxylic acids and derivatives,"Amino acids, peptides, and analogues",CANOPUS,C(C[C@@H](C(=O)O)N)CN=C(N)N
174,174,174,file_21M203R281ID25,203.081619262695,280.746654,283.3880208,0.0,30,neg,258.4785,312.9141,./DS200309_Scost_QC_70k_neg_PRM.mzML,C11H12N2O2,C1=CC=C2C(=C1)C(=CN2)CC(C(=O)O)N,DL-Tryptophan,,1148,2-amino-3-(1H-indol-3-yl)propanoic acid,"['DL-Tryptophan', '54-12-6', '2-amino-3-(1H-indol-3-yl)propanoic acid', 'Racemic Tryptophan', 'DL-Trytophane', 'DL-Trytophan', '(+-)-Tryptophan', 'DL-tryptophane', 'H-DL-Trp-OH', 'DL-3beta-Indolylalanine', 'TRYPTOPHAN, DL-', 'NSC 13118', 'DL-alpha-Amino-3-indolepropionic acid', 'MFCD00064339', 'CHEBI:27897', '(+/-)-2-Amino-3-(3-indolyl)propionic acid', 'X9U7434L7A', 'NSC13119', 'NSC-13118', '27813-82-7', 'DL-.alpha.-Amino-3-indolepropionic acid', 'DL-Tryptophan, >=99% (HPLC)', 'Tryptophan, DL', 'CCRIS 719', 'SR-01000597138', 'EINECS 200-194-9', 'Htrp', 'UNII-X9U7434L7A', 'AI3-24395', 'd,l-tryptophan', 'MFCD00005647', 'MFCD00064340', 'Propionic acid, 2-amino-3-indol-3-yl', 'DL-2-Amino-3-indolepropionic acid', '(+/-)-Tryptophan', 'beta-3-indolylalanine', 'DL-3A-Indolylalanine', 'Spectrum_000087', '(+/-)-alpha-Amino-3-indolepropionic acid', 'Spectrum2_001102', 'Spectrum3_001379', 'Spectrum4_000579', 'Spectrum5_001310', '(.+/-.)-Tryptophan', '(r)-(+)l-trp', 'DSSTox_CID_1418', 'SCHEMBL7327', 'DL-TRYPTOPHAN [FCC]', 'DSSTox_RID_76151', 'NCIOpen2_006535', 'DSSTox_GSID_21418', 'BSPBio_002938', 'KBioGR_001018', 'KBioSS_000507', 'SPECTRUM1500600', 'SPBio_001204', 'a-amino-3-indolepropionic acid', 'CHEMBL484901', 'L-Tryptophan-[2,3,3-d3]', 'DTXSID0021418', 'SCHEMBL19161120', 'ACon1_001815', 'KBio2_000507', 'KBio2_003075', 'KBio2_005643', 'KBio3_002158', 'MIT-461', 'HMS1648B01', 'HMS1921I11', 'HMS2092A20', '133519-78-5', 'ALBB-007460', 'NSC13118', 'WLN: T56 BMJ D1YZVQ -L', 'Tox21_202793', 'BBL004467', 'CCG-40280', 'NSC122286', 'STK029637', '2-amino-3-(3-indolyl)propionic acid', 'AKOS000118922', 'AKOS016038053', 'CS-W013196', 'HY-W012480', 'NSC-122286', 'SB14995', 'SB14996', 'SB14997', 'SDCCGMLS-0066645.P001', 'alpha-amino-beta-3-indolepropionic acid', 'CAS-54-12-6', 'NCGC00015994-02', 'NCGC00015994-03', 'NCGC00015994-04', 'NCGC00015994-05', 'NCGC00015994-06', 'NCGC00015994-10', 'NCGC00015994-12', 'NCGC00094805-01', 'NCGC00094805-02', 'NCGC00094805-03', 'NCGC00094805-04', 'NCGC00260339-01', '2-amino-3-(1H-indol-3-yl)propanoicacid', 'AC-24066', 'AS-11002', 'BP-12575', 'NCI60_000685', 'SY010557', 'SY011477', 'SY012692', 'SBI-0051549.P002', '2-azanyl-3-(1H-indol-3-yl)propanoic acid', 'DB-002704', '2-amino-3-(1H-indol-3-yl)-propionic acid', 'alpha-Amino-beta-(3-indolyl)-propionic acid', 'AM20060836', 'DL-Tryptophan, puriss., >=99.0% (NT)', 'FT-0625525', 'FT-0625625', 'FT-0627592', 'FT-0675718', 'FT-0675719', 'T0540', '(+-)-2-Amino-3-(3-indolyl)propionic Acid', 'EN300-18165', 'VU0243366-4', 'C00806', 'D70570', 'DL-Tryptophan, Vetec(TM) reagent grade, 98%', 'T-8310', 'T-8320', 'T-8321', '(+/-)-2-AMINO-3-INDOLYLPROPANOIC ACID', 'AB00052121-04', '064T339', 'A829974', 'L023952', 'J-019428', 'SR-01000597138-1', 'SR-01000597138-2', 'SR-01000597138-3', '5D88F09F-FA0E-488B-BEC6-DDDC859A7A29', 'BRD-A07106394-001-02-5', 'Q27103394', 'Q27115092', 'Z57248626', 'F3145-2942']",SIRIUS|suspectlist,1.0,3.0,Organic acids and derivatives,Carboxylic acids and derivatives,"Amino acids, peptides, and analogues",CANOPUS,C1=CC=C2C(=C1)C(=CN2)C[C@@H](C(=O)O)N
202,202,202,file_21M179R360ID53,179.055404663086,360.214002,361.96359,0.0,30,neg,337.676172,389.571534,./DS200309_Scost_QC_70k_neg_PRM.mzML,C6H12O6,C1[C@H]([C@H]([C@H](C(O1)(CO)O)O)O)O,Allulose,Rare sugar found in  plants like raisins and macroalgae,441036,"(3R,4R,5R)-2-(hydroxymethyl)oxane-2,3,4,5-tetrol","['Allulose', 'D-Allulose', 'D-Psi', 'D-Psicopyranose', 'D-Psicopyranoside', 'D-Psicose', 'D-Ribo-Hex-2-ulo-Pyranose', 'D-Ribo-Hexopyran-2-ulose', 'Psi', 'Psicopyranose', 'Psicopyranoside', 'Psicose', 'D-Altrulose', 'D-Pseudofructose', 'D-Erythro-hexulose', 'D-Ribo-2-ketohexulose', 'bmse000020', 'bmse000799', 'bmse000965', 'SCHEMBL8068901', 'CHEBI:187912', 'AKOS006289952', 'C06468', 'WURCS=2.0/1,1,0/[ha222h-2x_2-6]/1/', '(3R,4R,5R)-2-(hydroxymethyl)tetrahydropyran-2,3,4,5-tetrol']",SIRIUS|GNPS|suspectlist,2.0,2.0,Organic oxygen compounds,Organooxygen compounds,Carbohydrates and carbohydrate conjugates,CANOPUS,C1[C@@H]([C@H]([C@@H](C(O1)(CO)O)O)O)O
248,248,248,file_21M267R429ID99,267.070861816406,429.077742,428.92818,0.0,30,neg,408.207894,449.349342,./DS200309_Scost_QC_70k_neg_PRM.mzML,C9H16O9,C(C1C(C(C(C(O1)OC(CO)C(=O)O)O)O)O)O,2-O-alpha-L-Mannopyranosyl-D-glyceric acid,,656416,"3-hydroxy-2-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypropanoic acid","['SCHEMBL10042930', 'SCHEMBL20281213', '2-O-alpha-L-Mannopyranosyl-D-glyceric acid', '(2R)-2-(alpha-D-Mannopyranosyloxy)-3-hydroxypropanoic acid']",SIRIUS|suspectlist,1.0,3.0,Organic oxygen compounds,Organooxygen compounds,Carbohydrates and carbohydrate conjugates,CANOPUS,C([C@@H]1[C@H]([C@@H]([C@@H]([C@H](O1)O[C@H](CO)C(=O)O)O)O)O)O
260,260,260,file_21M118R458ID111,118.050582885742,457.943154,457.1172096,0.0,30,neg,434.28783,478.640496,./DS200309_Scost_QC_70k_neg_PRM.mzML,C4H9NO3,CC(C(C(=O)O)N)O,DL-Threonine,,205,2-amino-3-hydroxybutanoic acid,"['DL-Threonine', '2-amino-3-hydroxybutanoic acid', '80-68-2', '7004-04-8', 'H-DL-Thr-OH', 'DL-2-Amino-3-hydroxybutanoic acid', 'H-DL-allo-Thr-OH', '144-98-9', 'H-Thr-OH', 'DL-allothreonine', '2-amino-3-hydroxy-butanoic acid', 'DL-allo-Threonine', 'Allothreonine, D-', '760PJT2SS0', 'CHEBI:38263', 'Butanoic acid, 2-amino-3-hydroxy-', 'WLN: QY1&YZVQ -L', 'Threonine #', 'Allothreonine, L-', 'Butanoic acid, [R-(R*,S*)]-', 'Allothreonine, DL-', '29NAP6417F', 'Theronine', 'laevo-threonine', 'NSC46701', 'MFCD00004526', 'MFCD00063722', 'MFCD00064268', 'MFCD00064269', 'NSC-41828', 'NSC-46702', 'NSC-206267', 'NSC-206283', 'NSC-206292', 'NCGC00164520-01', 'NCGC00164520-02', 'EINECS 205-645-3', 'THREONINE,(L)', 'SCHEMBL1479', 'UNII-760PJT2SS0', '2-amino-3-hydroxybutanoicacid', 'CHEMBL30037', 'UNII-29NAP6417F', 'DTXSID301015364', 'AMY25310', 'BCP16820', 'NSC16589', 'NSC41828', 'NSC46702', 'BBL011585', 'MFCD00066665', 'NSC 41828', 'NSC206267', 'NSC206283', 'NSC206292', 'STL163323', 'AKOS000118925', 'AKOS016042347', 'Butyric acid, alpha-amino-beta-hydroxy-', 'AS-14237', 'DL-Threonine (contains DL-Allothreonine)', 'SY018620', 'SY020053', 'SY024226', 'SY026984', 'L-Threonine 2-Amino-3-hydroxybutyric acid', 'DB-047492', 'DB-054434', 'A0214', 'CS-0154977', 'FT-0601219', 'FT-0604667', 'FT-0604670', 'FT-0624367', 'FT-0625423', 'FT-0625521', 'FT-0675201', 'T0229', 'T3105', 'EN300-18051', 'thr', 'A20656', '(2R,S),(3S,R)-2-Amino-3-hydroxybutyric Acid', '066A665', '2-Amino-3-hydroxybutanoic acid (H-DL-xiThr-OH)', 'A808305', 'SR-01000944947', 'J-008036', 'SR-01000944947-1', 'BUTYRIC ACID, .ALPHA.-AMINO-.BETA.-HYDROXY-', 'F3AB6CE6-3CF9-4C81-A7D7-7C21F24FDC0E', 'Q27117433', 'Q60662943', 'F2191-0228', '4-Chloro-8-(trifluoromethyl)quinoline-3-carboxylicethylester', '(s)-threonine;L-alpha-Amino-beta-hydroxybutyric acid;l-threonin;Threonin', '36676-50-3']",SIRIUS|suspectlist,1.0,3.0,Organic acids and derivatives,Carboxylic acids and derivatives,"Amino acids, peptides, and analogues",CANOPUS,C[C@H]([C@@H](C(=O)O)N)O
263,263,263,file_21M318R463ID114,318.057434082031,462.590868,461.9492232,0.0,30,neg,439.234416,483.33084,./DS200309_Scost_QC_70k_neg_PRM.mzML,C10H13N5O5,C1=NC2=C(N1[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)N=C(NC2=O)N,Guanosine,,135398635,"2-amino-9-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-1H-purin-6-one","['guanosine', '118-00-3', 'guanine riboside', 'vernine', 'Guanozin', 'USAF CB-11', 'Guanosin', 'Inosine, 2-amino-', 'Vernine (VAN)', 'Guanine-9-beta-D-ribofuranoside', 'DL-Guanosine', '9-beta-D-Ribofuranosylguanine', 'beta-D-Ribofuranoside, guanine-9', 'Guanine, 9-beta-D-ribofuranosyl-', '2(3H)-Imino-9-beta-D-ribofuranosyl-9H-purin-6(1H)-one', 'Inosine, 2-amino- (VAN)', 'Ribofuranoside, guanine-9, beta-D-', '2-Amino-1,9-dihydro-9-beta-D-ribofuranosyl-6H-purin-6-one', 'GUANINE-9:BETA-D-RIBOFURANOSIDE', 'Guo', 'AI3-52065', 'MFCD00010182', 'NSC 19994', '9-beta-D-ribofuranosyl-guanine', '2-Amino-9-((2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl)-1H-purin-6(9H)-one', 'Guanine, 9-beta-D-ribofuranosyl- (VAN)', '9-(beta-D-Ribofuranosyl)guanine', 'CHEBI:16750', 'GR', '6H-Purin-6-one, 2-amino-1,9-dihydro-9-beta-D-ribofuranosyl-', '26578-09-6', 'Guanosine, Anhydrous', '12133JR80S', '2-AMINO-9-[(2R,3R,4S,5R)-3,4-DIHYDROXY-5-(HYDROXYMETHYL)OXOLAN-2-YL]-6,9-DIHYDRO-1H-PURIN-6-ONE', '85-30-3', '2-amino-9-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-1H-purin-6-one', '2-Amino-9-((2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl)-3H-purin-6(9H)-one', '2-amino-9-beta-D-ribofuranosyl-1,9-dihydro-6H-purin-6-one', 'EINECS 204-227-8', '9-.beta.-D-ribofuranosylguanine', 'Ribonucleoside', 'Guanine, 9.beta.-d-ribofuranosyl-', '.beta.-D-Ribofuranoside, guanine-9', '3h-guanosine', 'NSC-19994', '2-Amino-9-beta-D-ribofuranosyl-1,9-dihydro-6H-purin-6-one (Guanosine)', 'UNII-12133JR80S', '2-amino-Inosine', '1odj', '2fqx', '9-B-D-RIBOFURANOSYLGUANINE', '[3H]-guanosine', 'Inosine, 2-amino', 'Guanosine, >=98%', 'ST057098', 'GUANOSINE [MI]', 'GUANOSINE [INCI]', 'bmse000091', 'bmse001018', 'Epitope ID:141493', 'GUANOSINE [MART.]', 'GUANOSINE [WHO-DD]', '9-b-D-ribofuranosyl-Guanine', 'SCHEMBL21217', '2(3H)-Imino-9-.beta.-D-ribofuranosyl-9H-purin-6(1H)-one', 'b-D-Ribofuranoside guanine-9', '9-beta-D-ribofuranosyl guanine', 'CHEMBL375655', 'GTPL4567', 'SGCUT00093', '9-bet.-D-Ribofuranosyl-guanine', 'Guanine-9-ss--D-ribofuranoside', 'GUANOSINE [USP IMPURITY]', 'SCHEMBL12212184', '9-(ss--D-Ribofuranosyl)guanine', 'Guanine-9-bet.-D-ribofuranoside', 'DTXSID00893055', '9-beta-delta-ribofuranosyl-Guanine', 'Guanine-9-.beta.-D-ribofuranoside', 'GUANOSINE ULTRA PURE 100G', 'beta-delta-Ribofuranoside guanine-9', 'Guanosine, >=97.0% (HPLC)', 'HY-N0097', 'STR04471', 'to_000053', 'ZINC1550030', 'BBL033925', 'BDBM50366814', 's2439', 'STK801927', 'AKOS005622500', 'AKOS007930368', 'AKOS015896931', 'AKOS032949764', 'AM83933', 'CCG-267277', 'CS-W020018', 'DB02857', 'Ribofuranoside, guanine-9, .beta.-D-', '9-[(4S,2R,3R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-aminohydropurin -6-one', 'NCGC00142496-01', 'NCGC00142496-02', '30747-23-0', 'ADENOSINE IMPURITY H [EP IMPURITY]', 'DB-029875', 'G0171', 'Guanosine, Vetec(TM) reagent grade, >=98%', 'C00387', 'EN300-204342', 'Guanosine, suitable for cell culture, BioReagent', 'A818517', 'Q422462', 'Q-201301', '2-Amino-9-bet.-D-ribofuranosyl-9H-purine-6-(1H)-one', 'Z1741979723', '2-Amino-1,9-dihydro-9-b-D-ribofuranosyl-6H-purin-6-one', '2-Amino-9-.beta.-D-ribofuranosyl-9-H-purine-6(1H)-one', '2-Amino-1,9-dihydro-9.beta.-d-ribofuranosyl-6H-purin-6-one', '2-AMINO-9-.BETA.-D-RIBOFURANOSYL-9H-PURINE-6(1H)-ONE', '6H-Purin-6-one, 2-amino-1,9-dihydro-9-beta-D-ribofuranosyl', '2-Amino-1,9-dihydro-9-beta-delta-ribofuranosyl-6H-purin-6-one', '6H-Purin-6-one, 2-amino-1,9-dihydro-9-.beta.-D-ribofuranosyl-', '2-AMINO-9-.BETA.-D-RIBOFURANOSYL-1,9-DIHYDRO-6H-PURIN-6-ONE', '(2R,3R,4S,5R)-2-(2-amino-6-hydroxypurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol', '2-amino-9-[3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-3H-purin-6-one', '2-Amino-9-((2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxy-methyl)tetrahydrofuran-2-yl)-1H-purin-6(9H)-one', '2-amino-9-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-1H-purin-6-one']",MassBank|suspectlist,1.0,2.0,"Nucleosides, nucleotides, and analogues",Purine nucleosides,,ClassyFire,C1=NC2=C(N1[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)N=C(NC2=O)N
271,271,271,file_21M131R493ID122,131.045776367188,492.559896,490.33045875,0.0,30,neg,458.7039,516.00534,./DS200309_Scost_QC_70k_neg_PRM.mzML,C4H8N2O3,C(C(C(=O)O)N)C(=O)N,DL-Asparagine,,236,"2,4-diamino-4-oxobutanoic acid","['DL-Asparagine', '3130-87-8', 'Asparagine, DL-', '2,4-diamino-4-oxobutanoic acid', 'H-Asn-OH HO', '2-amino-3-carbamoylpropanoic acid', '7006-34-0', 'NSC7891', '(-)-Asparagine; Asn; Asparamide', 'NSC82391', 'WLN: ZV1YZVQ', 'H-DL-Asn-OH', 'Asparagine #', 'asparagin', 'DL-Aspartic acid 4-amide', 'L-(+)-Asparagine', 'L-.beta.-Asparagine', 'asparagina', 'Hasp', 'DL-Aspartamine', 'MFCD00008036', '(+-)-Asparagine', 'L-Asparagine-15N2', 'ASPARAGINE, DL', '2-amino-succinamic acid', 'ASPARAGINE, (L)', 'H-DL-Asn-OH?2O', 'H-D-Asn-OH . HO', 'SCHEMBL2308617', 'CHEBI:22653', 'DTXSID30859927', 'NSC 7891', 'NSC-7891', 'EINECS 221-521-1', 'MFCD00064400', 'NSC206243', 'STL277093', 'AKOS000120782', 'AKOS016050525', 'CS-W018158', 'HY-W017442', 'NSC 206243', 'NSC-206243', 'Butanoic acid,4-diamino-4-oxo-, (S)-', 'LS-12998', 'SY008178', 'SY014875', 'DB-020547', 'A0541', 'FT-0602581', 'FT-0627706', 'EN300-20760', 'A15665', 'F10838', 'AB00443949-02', '130A878', '4-(3-NITROANILINO)-4-OXOBUT-2-ENOICACID', 'Q185906', 'SR-01000944855', 'SR-01000944855-1', 'Z104481196', 'B62F87A0-7AA2-4B41-8F86-34B7856972AA']",SIRIUS|suspectlist,1.0,3.0,Organic acids and derivatives,Carboxylic acids and derivatives,"Amino acids, peptides, and analogues",CANOPUS,C([C@@H](C(=O)O)N)C(=O)N
273,273,273,file_21M164R493ID124,164.038284301758,493.341324,491.1426705,0.0,30,neg,459.470262,516.792222,./DS200309_Scost_QC_70k_neg_PRM.mzML,C5H11NO3S,CS(=O)CCC(C(=O)O)N,DL-Methionine Sulfoxide,Involved in stress response in S. Marinoi,847,2-amino-4-methylsulfinylbutanoic acid,"['DL-Methionine sulfoxide', '62697-73-8', 'methionine sulfoxide', 'dl-methioninesulfoxide', '454-41-1', '2-Amino-4-(methylsulfinyl)butanoic acid', 'Uethionine, S-oxide', 'Butanoic acid, 2-amino-4-(methylsulfinyl)-', '2-Amino-4-(methylsulfinyl)butyric acid', '2-Amino-4-(methylsulphinyl)butyric acid', '2-amino-4-methylsulfinylbutanoic acid', 'Methionine, S-oxide', 'methionine sulfoxide, dl-', 'MFCD00002620', 'BUTYRIC ACID, 2-AMINO-4-(METHYLSULFINYL)-', 'SQ 2292', 'O74B4F6OYL', 'NSC-3084', '2-amino-4-methylsulfinyl-butanoic acid', '(1)-2-Amino-4-(methylsulphinyl)butyric acid', '4241-59-2', 'UNII-O74B4F6OYL', 'L-methionine-S-sulfoxide', 'methioninsulfoxid', 'NSC 3084', 'EINECS 207-225-5', 'EINECS 263-700-7', '2-amino-4-methanesulfinylbutanoic acid', 'BRN 1723794', 'dl-methionine sulphoxide', 'AI3-26385', 'H-DL-Met(O)-OH', 'dl-methionine-dl-sulfoxide', 'Methioninesulfoxide; 98%', 'bmse000397', 'L-METHIONINE_SULFOXIDE', 'SCHEMBL995666', 'CHEBI:49033', 'DTXSID60866947', 'NSC3084', 'HY-W010104A', 'AKOS002981911', 'AKOS003237046', 'AKOS022145012', 'NCGC00142606-01', '2-Amino-4-(methanesulfinyl)butanoic acid', 'BS-42288', '2-Amino-4-(methylsulfinyl)butanoic acid #', 'DB-048189', 'DL-Methionine sulfoxide, >=99.0% (NT)', 'CS-0059319', 'FT-0625491', 'FT-0627958', 'FT-0753233', 'M0101', '(2S)-2-amino-4-methylsulfinyl-butanoic acid', 'D91281', 'EN300-366718', 'M-3220', '(2S)-2-amino-4-[(R)-methylsulfinyl]butanoate', 'A821216', 'A868394', 'J-520417', 'Q6823656', 'F05E9FBE-3980-4BE7-99D1-D9A465F9ABBE', 'Butanoic acid, 2-amino-4-(methylsulfinyl)-, (+/-)-', 'Butanoic acid, 2-amino-4-(methylsulfinyl)-, (.+/-.)-', 'BUTYRIC ACID, .ALPHA.-AMINO-.GAMMA.-(METHYLSULFINYL)-']",SIRIUS|suspectlist,1.0,3.0,Organic acids and derivatives,Carboxylic acids and derivatives,"Amino acids, peptides, and analogues",CANOPUS,CS(=O)CCC(C(=O)O)N
335,335,335,file_15M188R82ID52,188.07048034668,81.709785,82.587283875,10745355.25433,30,pos,77.685264,89.23155,./DS_201124_SC_full_PRM_pos_05.mzML,C11H12N2O2,C1=CC=C2C(=C1)C(=CN2)C[C@@H](C(=O)O)N,L-Tryptophan,,6305,(2S)-2-amino-3-(1H-indol-3-yl)propanoic acid,"['L-tryptophan', 'tryptophan', '73-22-3', 'L-Tryptophane', 'h-Trp-oh', '(S)-Tryptophan', 'Tryptophane', 'trofan', 'tryptacin', 'Optimax', 'Ardeytropin', '(2S)-2-amino-3-(1H-indol-3-yl)propanoic acid', 'Pacitron', 'Indole-3-alanine', 'Kalma', 'L-beta-3-Indolylalanine', 'L-Tryptofan', 'L-Trp', 'L-(-)-Tryptophan', '3-Indol-3-ylalanine', '(-)-Tryptophan', 'Tryptan', 'Lyphan', 'Tryptophan (VAN)', '1-beta-3-Indolylalanine', 'Tryptophan (H-3)', 'Triptofano [Spanish]', 'Tryptophanum [Latin]', '1H-Indole-3-alanine', 'Tryptophan, L-', '1beta-3-Indolylalanine', '2-Amino-3-indolylpropanoic acid', 'L(-)-Tryptophan', 'triptofano', 'Tryptophanum', '(S)-alpha-Amino-1H-indole-3-propanoic acid', 'Tryptophane [French]', '(L)-TRYPTOPHAN', ""alpha'-Amino-3-indolepropionic acid"", 'Tryptophan [USAN:INN]', 'L-alpha-amino-3-indolepropionic acid', 'L-alpha-Aminoindole-3-propionic acid', 'Sedanoct', '(S)-alpha-Aminoindole-3-propionic acid', '1H-Indole-3-alanine (VAN)', 'EH 121', 'trp', 'Alanine, 3-indol-3-yl-', 'CCRIS 617', 'L-Alanine, 3-(1H-indol-3-yl)-', '1H-Indole-3-alanine, (S)-', 'alpha-Amino-3-indolepropionic acid, L-', 'HSDB 4142', 'Trytophan-', '(S)-alpha-amino-beta-(3-indolyl)-propionic acid', 'NCI-C01729', 'AI3-18478', '(S)-2-Amino-3-(3-indolyl)propionic acid', 'Indole-3-propionic acid, alpha-amino-', '1H-Indole-3-propanoic acid, alpha-amino-, (S)-', 'Propionic acid, 2-amino-3-indol-3-yl-', 'CHEBI:16828', 'Lopac-T-0254', 'Tryptophan ((-),l,s)', '8DUH1N11BX', '(S)-alpha-Amino-beta-indolepropionic acid', 'CHEMBL54976', '(S)-2-Amino-3-(1H-indol-3-yl)propanoic acid', 'NSC-13119', 'MFCD00064340', 'DSSTox_CID_1419', 'DSSTox_RID_76152', 'DSSTox_GSID_21419', '80206-30-0', 'l-b-3-Indolylalanine', 'L-Tryptophan-13C11,15N2', 'D-Trp-OH', 'CAS-73-22-3', 'Propionic acid, 2-amino-3-indol-3-yl', 'L-Tryptophan (9CI)', 'Tryptophan (USP/INN)', '(S)-a-Amino-b-indolepropionic acid', '(S)-a-Aminoindole-3-propionic acid', 'Alanine, 3-indol-3-yl', 'EINECS 200-795-6', 'NSC 13119', 'UNII-8DUH1N11BX', '(2S)-2-amino-3-(1H-indol-3-yl)propanoate', 'trytophan', '(S)-a-Amino-1H-indole-3-propanoic acid', 'TRP-01', 'L-Trytophan', '1qaw', 'L-Tryptophan,(S)', 'L-Trp-OH', '2a4m', 'H-L-Trp-OH', 'TRYPTOPHAN [II]', 'TRYPTOPHAN [MI]', 'L-Tryptophan (JP17)', 'TRYPTOPHAN [INN]', 'S(-)-1-alpha-Aminoindole-3-propionic acid', 'TRYPTOPHAN [HSDB]', 'TRYPTOPHAN [INCI]', 'TRYPTOPHAN [USAN]', 'Tryptophan (L-Tryptophan)', 'TRYPTOPHAN [VANDF]', 'Tryptophan, L- (8CI)', 'bmse000050', 'bmse000868', 'bmse001017', 'Epitope ID:136043', 'EC 200-795-6', 'T 0254', 'L-TRYPTOPHAN [FCC]', 'L-TRYPTOPHAN [JAN]', 'SCHEMBL7328', 'TRYPTOPHAN [MART.]', '2-Amino-3-indolylpropanoate', '(S)-(-)-2-Amino-3-(3-indolyl)propionic Acid', '(S)-1H-Indole-3-alanine', 'Lopac0_001183', 'GTPL717', 'L-TRYPTOPHAN [VANDF]', 'MLS001056750', 'DivK1c_000457', 'L-TRYPTOPHAN [USP-RS]', '(s)-a-amino-b-indolepropionate', '151A3008-4CFE-40C9-AC0B-467EF0CB50EA', 'DTXSID5021419', '(S)-a-Aminoindole-3-propionate', 'BDBM21974', 'HMS501G19', 'KBio1_000457', 'ZINC83315', 'TRYPTOPHAN [EP MONOGRAPH]', '3-(1H-indol-3-yl)-L-Alanine', 'L-a-Amino-3-indolepropionic acid', 'NINDS_000457', 'alpha-Aminoindole-3-propionic acid', 'HMS3263N07', 'Pharmakon1600-01500600', 'TRYPTOPHAN [USP MONOGRAPH]', 'TRYPTOPHAN, L- [WHO-DD]', 'ACT08662', 'HY-N0623', 'STR02722', '(S)-alpha-Aminoindole-3-propionate', 'Tox21_201246', 'Tox21_300359', 'Tox21_501183', 'NSC757373', 's3987', '(s)-alpha-amino-beta-indolepropionate', 'L-Tryptophan, Vetec(TM), 98.5%', '(S)-a-Amino-1H-indole-3-propanoate', 'AKOS015854052', 'Indoe-3-propionic acid, alpha-amino-', 'AM82273', 'CCG-205257', 'CS-W020011', 'DB00150', 'LP01183', 'NSC-757373', 'SDCCGSBI-0051150.P002', 'IDI1_000457', 'NCGC00015994-01', 'NCGC00094437-01', 'NCGC00094437-02', 'NCGC00094437-03', 'NCGC00094437-04', 'NCGC00094437-08', 'NCGC00254424-01', 'NCGC00258798-01', 'NCGC00261868-01', '(S)-alpha-Amino-1H-indole-3-propanoate', 'AC-17050', 'BP-13286', 'SMR000326686', 'TS-04426', 'DB-029986', 'L-Tryptophan, BioUltra, >=99.5% (NT)', 'EU-0101183', 'T0541', '(S)-Tryptophan 1H-Indole-3-alanine, (S)-', 'EN300-52634', '73T223', 'C00078', 'D00020', 'L-.ALPHA.-AMINO-3-INDOLEPROPIONIC ACID', 'L-Tryptophan, reagent grade, >=98% (HPLC)', 'M02943', 'P16427', 'AB00373874_05', 'L-Tryptophan, Vetec(TM) reagent grade, >=98%', '(S)-2-amino-3-(1H-Indol-3-yl)-propionic acid', 'A837752', 'L-Tryptophan, Cell Culture Reagent (H-L-Trp-OH)', 'Q181003', 'SR-01000075590', '4-(3-METHOXYANILINO)-4-OXOBUT-2-ENOICACID', 'N-ACETYLTRYPTOPHAN IMPURITY A [EP IMPURITY]', 'SR-01000075590-1', 'F0001-2364', 'Z756440056', '1H-INDOLE-3-PROPANOIC ACID, .ALPHA.-AMINO-, (S)-', 'L-Tryptophan, certified reference material, TraceCERT(R)', 'Tryptophan, European Pharmacopoeia (EP) Reference Standard', 'L-Tryptophan, United States Pharmacopeia (USP) Reference Standard', 'L-Tryptophan, from non-animal source, meets EP, JP, USP testing specifications, suitable for cell culture, 99.0-101.0%']",MassBank|GNPS|suspectlist,2.0,2.0,Organoheterocyclic compounds,Indoles and derivatives,Indolyl carboxylic acids and derivatives,ClassyFire,C1=CC=C2C(=C1)C(=CN2)C[C@@H](C(=O)O)N
498,498,498,file_3M132R250ID65,132.0302734375,249.62295,249.67124275,16148154.45773,30,neg,243.865734,255.503412,./DS_201124_SC_full_PRM_neg_03.mzML,C4H7NO4,C(C(C(=O)O)N)C(=O)O,DL-Aspartic acid,,424.0,2-aminobutanedioic acid,"['DL-ASPARTIC ACID', '617-45-8', '2-aminobutanedioic acid', 'DL-Aminosuccinic acid', 'DL-Asparagic acid', 'DL-Asp-OH', 'Aspartic acid, DL-', 'Acid D,L-aspart', '2-aminosuccinic acid', '(+-)-Aspartic acid', '(R,S)-Aspartic acid', 'Aminosuccinic acid', 'H-DL-Asp-OH', 'MFCD00063083', '(+/-)-2-Aminosuccinic acid', 'NSC3973', '28XF4669EP', 'NSC79553', 'NSC620336', 'NSC-141379', 'Butanedioic acid, (S)-', '.alpha.-Aminosuccinic acid', 'DL-ASPARTICACID', '(S)-Aminosuccinic Acid', 'd,l-aspartic acid', '(+/-)-Aspartic Acid', 'EINECS 210-513-3', 'NSC 141379', 'NSC 620336', 'asparaginsaure', 'NSC-3973', 'UNII-28XF4669EP', 'AI3-18471', 'NSC-97922', 'DL-Aspartic', 'DL aspartic acid', 'laevo-aspartic acid', 'DL-Asparaginic Acid', '(1)-Aspartic acid', '(RS)-Aspartic acid', '101247-29-4', '2-amino-butanedioic acid', 'EC 210-513-3', 'ASPARTIC ACID (DL)', 'L-Aspartic Acid (L-Asp)', 'SCHEMBL3230', 'NCIOpen2_001642', 'Aspartic acid, DL- (8CI)', 'DL-Aspartic acid, 98.0%', 'DL-ASPARTIC ACID [FCC]', 'L-(-)-ASPARTIC ACID)', 'CHEBI:22660', 'DTXSID30859003', 'L-(-)-ASPARAGINIC ACID)', 'L-Aspartic acid-[1,4-13C2]', 'BCP30569', 'NSC97922', 'BBL002458', 'NSC-79553', 'NSC141379', 'STK387107', 'DL-Aspartic acid, >=99% (TLC)', 'AKOS000119962', 'AKOS016512961', 'CS-W016540', 'NSC-620336', 'AS-11791', 'DB-018116', 'A0544', 'AM20100510', 'FT-0624455', 'FT-0625441', 'FT-0627708', 'FT-0655880', 'FT-0662308', 'FT-0693446', 'FT-0771226', 'FT-0772195', 'EN300-19691', 'A-9200', 'D77793', '617A458', 'DL-Aspartic acid, Vetec(TM) reagent grade, 98%', 'SR-01000075415', 'SR-01000075415-1', 'Q27109481', 'F2191-0170', 'Z104474760', 'B9081C6F-A966-4EAE-8764-0B3998277A1B', '(-)-Aspartic acid;(R)-Aspartic acid; D-(-)-Aspartic acid;H-D-Asp-OH']",SIRIUS|suspectlist,1.0,3.0,Organic acids and derivatives,Carboxylic acids and derivatives,"Amino acids, peptides, and analogues",CANOPUS,C([C@@H](C(=O)O)N)C(=O)O
524,524,524,file_4M283R45ID20,283.264404296875,44.7455361,44.7455361,103394.5302734,30,neg,39.6387522,49.85232,./DS_201124_SC_full_PRM_neg_04.mzML,C18H36O2,CCCCCCCCCCCCCCCCCC(=O)O,Stearic Acid,Found in S. marinoi,5281.0,octadecanoic acid,"['stearic acid', 'Octadecanoic acid', '57-11-4', 'n-Octadecanoic acid', 'Stearophanic acid', 'Cetylacetic acid', 'Pearl stearic', 'Stearex Beads', '1-Heptadecanecarboxylic acid', 'Octadecansaeure', 'Stearinsaeure', 'Vanicol', 'Hydrofol Acid 150', 'Century 1240', 'Industrene R', 'Stearate', 'Glycon DP', 'Glycon TP', 'Humko Industrene R', 'Dar-chem 14', 'Formula 300', 'Hydrofol 1895', 'Hystrene 7018', 'Hystrene 9718', 'Glycon S-80', 'Glycon S-90', 'Hydrofol acid 1655', 'Hydrofol acid 1855', 'Tegostearic 254', 'Tegostearic 255', 'Tegostearic 272', 'Hystrene 80', 'octadecoic acid', 'Industrene 5016', 'Hystrene S-97', 'Hystrene T-70', 'Emersol 120', 'Emersol 132', 'Hystrene 4516', 'Hystrene 5016', 'Groco 54', 'Groco 55', 'Groco 55L', 'Groco 58', 'Groco 59', 'Glycon S-70', 'Industrene 8718', 'Industrene 9018', 'Kam 1000', 'Emersol 150', 'FEMA No. 3035', 'Steric acid', 'C18:0', 'Acidum stearinicul', 'Barolub FTA', 'Caswell No. 801D', 'HY-Phi 1199', 'HY-Phi 1205', 'HY-Phi 1303', 'HY-Phi 1401', 'Kam 2000', 'Kam 3000', 'Oktadekansaeure', 'acide stearique', 'Century 1210', 'PD 185', 'Stearic acid 50', 'acide octadecanoique', 'NAA 173', 'Hydrofol Acid 150 (VAN)', 'CCRIS 2305', 'Prifac 2918', 'HSDB 2000', 'Vis-Plus', 'Prodhygine', 'EPA Pesticide Chemical Code 079082', 'Stearic Acid Cherry', 'Edenor C18', 'Stearic acid (TN)', 'Purified stearic acid', 'Dervacid 3155', 'CH3-[CH2]16-COOH', 'Loxiol G 20', 'Adeka sa 300', 'Century 1220', 'Century 1230', 'Emersol 6349', 'AI3-00909', 'Lunac S 20', 'Lunac S 40', 'Hydrofol Acid 1895', 'Octadecanoic acid, dimer', 'Bonderlube 235', 'MFCD00002752', 'NSC-25956', '4ELV7Z65AP', 'CHEMBL46403', 'CHEBI:28842', 'NSC25956', 'NSC-261168', 'NCGC00091596-02', 'DSSTox_CID_1642', 'DSSTox_RID_76256', 'DSSTox_GSID_21642', '18639-67-3', 'Stearic acid, pure', 'Stearicacid', 'Lunac', 'Stearic Acid (Powder/Beads/Flakes)', 'CAS-57-11-4', 'Isostearic acid EX', 'NSC 25956', 'Haimaric MKH(R)', 'Prisorine 3501', 'Prisorine 3502', 'Prisorine 3508', 'Emersol 153NF', 'Emersol 871', 'Emersol 875', 'Emery 875D', 'Emery 871', 'Unimac 5680', 'C-Lube 10', 'EINECS 200-313-4', 'Stearic acid [JAN:NF]', 'UNII-4ELV7Z65AP', 'BRN 0608585', 'Stearophanate', 'Promulsin', 'Stearex', 'Tsubaki', 'n-Octadecanoate', 'Bassinic acid', 'Lactaric acid', 'Talgic acid', 'Edenor htict-n', '1hmr', '1hmt', '4fnn', 'Kiri stearic acid', 'Lunac YA', 'n-Octadecylic acid', 'Palmitostearic acid', 'Stearic acid 70', 'Stearic acid, CP', 'Sterene 60b', 'Sterene 60r', 'EINECS 250-178-0', 'F 3 (lubricant)', 'Industrene 4518', 'Nonsoul SK 1', 'Pristerene 4900', 'Pristerene 4904', 'Pristerene 4910', 'Pristerene 4916', 'Pristerene 4963', 'Pristerene 4981', 'Pristerene 9429', 'Pristerene 9559', 'Pristerine 4989', 'Hystrene S 97', 'Hystrene T 70', 'Edenor ST 1', 'Sunfat 18S', 'Emersol 153', 'Selosol 920', 'Sterene 460', 'Industrene 5016K', 'Stearic Acid 110', 'Stearic Acid 120', 'Stearic Acid 420', 'Hystrene 9718NF', 'Kortacid 1895', 'Radiacid 0427', 'Edenor ST 20', 'Lunac 30', 'Serfax MT 90', 'Stearic acid_ravikumar', 'Unister NAA 180', 'Century 1224', 'Edenor HT-JG 60', 'Lunac S 90KC', 'Stearic acid (8CI)', 'Stearic acid, puriss.', 'Hyfac 410', 'Hyfac 420', 'Hyfac 421', 'Hyfac 422', 'Hystrene 7018 FG', 'Hystrene 9718NFFG', 'Lunac S 30', 'Lunac S 50', 'Lunac S 90', 'Lunac S 98', 'Prifac 5905', '3v2p', '875D', '1-Heptadecanecarboxylate', 'Industrene 7018 FG', 'Stearic Acid NF Powder', 'AFCO-Chem B 65', 'Stearic Acid - 65%', 'Stearic Acid - 70%', 'Stearic Acid 153 NF', 'Heptadecanecarboxylic acid', 'Stearic Acid & Glycerin', 'Edenor C 18/98', 'Octadecanoic acid (9CI)', 'Stearic acid, >=98%', 'SCHEMBL659', 'Hystrene 9718 NF FG', 'bmse000485', 'STEARIC ACID [II]', 'STEARIC ACID [MI]', 'Stearic Acid, High Purity', 'Stearic acid-[13C18]', 'Stearic acid-2-[13C]', 'EC 200-313-4', 'Emery 400 (Salt/Mix)', 'STEARIC ACID [DSC]', 'STEARIC ACID [JAN]', 'Stearic acid (JP15/NF)', 'Stearic acid (JP17/NF)', 'Stearic Acid Triple-Pressed', 'Triple Pressed Stearic Acid', 'Emersol 110 (Salt/Mix)', 'Stearic Acid - High Purity', 'STEARIC ACID [FHFI]', 'STEARIC ACID [HSDB]', 'STEARIC ACID [INCI]', 'Stearic acid (reagent grade)', 'STEARIC ACID [VANDF]', '4-02-00-01206 (Beilstein Handbook Reference)', 'WLN: QV17', 'Agar Agar Type K-100 NF', 'STEARIC ACID [MART.]', 'Stearic Acid - Triple Pressed', 'STEARIC ACID [USP-RS]', 'STEARIC ACID [WHO-DD]', '17FA', 'GTPL3377', 'WO 2', 'Stearic Acid (Fragrance Grade)', 'Stearic Acid High Purity 90%', 'Stearic acid-1,2-[13C2]', 'DTXSID8021642', 'UNII-X33R8U0062', 'Nonsoul SN 1 (*Sodium salt*)', 'SNA-2000 (*Sodium salt*)', 'Stearic acid, analytical standard', 'VLZ 200', 'Stearic Acid High Purity 90% V', 'PURIFIED STEARIC ACID [NF]', 'Stearic Acid Flake 132 NF Flake', 'Stearic acid, reagent grade, 95%', 'HY-B2219', 'STEARIC ACID [EP MONOGRAPH]', 'Stearic Acid 400 (Rubber Grade)', 'ZINC4978673', 'Tox21_111154', 'Tox21_201887', 'Tox21_300562', 'BBL012224', 'BDBM50240485', 'LMFA01010018', 's5733', 'SA 200', 'Stearic acid, >=95%, FCC, FG', 'STL163565', 'AKOS005716958', 'Tox21_111154_1', 'CCG-267314', 'DB03193', 'FA 1655', 'FA 18:0', 'T16-55F', 'X33R8U0062', 'NCGC00091596-01', 'NCGC00091596-03', 'NCGC00091596-04', 'NCGC00091596-05', 'NCGC00254456-01', 'NCGC00259436-01', '68937-76-8', 'E570', 'VS-03242', 'Stearic acid, puriss., >=98.5% (GC)', 'Stearic acid, SAJ first grade, >=90.0%', 'BB 0268543', 'CS-0021598', 'FT-0674650', 'FT-0689088', 'G 270', 'S 300', 'S0163', 'EN300-19730', 'Stearic acid, SAJ special grade, >=95.0%', 'Stearic acid, Vetec(TM) reagent grade, 94%', '400JB9103-88', 'A 1760', 'C01530', 'D00119', 'EC 250-178-0', 'F70008', 'Stearic acid 50, tested according to Ph.Eur.', 'Vegetable Stearic Acid 7036 FG, Kosher, NF', 'Q209685', 'SR-01000944717', 'Melting Point Standard 69-71C, analytical standard', 'SR-01000944717-1', 'Stearic acid, Grade I, >=98.5% (capillary GC)', 'Stearic acid, SAJ first grade, >=90.0%, powder', 'F0001-1489', 'STEARIC ACID (CONSTITUENT OF SAW PALMETTO) [DSC]', 'Stearic acid, certified reference material, TraceCERT(R)', 'Z104474964', 'CD7993EA-AD14-452A-A907-33376CC98790', 'Stearic acid, European Pharmacopoeia (EP) Reference Standard', 'Stearic acid, United States Pharmacopeia (USP) Reference Standard', 'Stearic Acid, Pharmaceutical Secondary Standard; Certified Reference Material']",SIRIUS|suspectlist|suspectlist|suspectlist,1.0,3.0,Lipids and lipid-like molecules,Fatty Acyls,Fatty acids and conjugates,ClassyFire,CCCCCCCCCCCCCC(O)=O
539,539,539,file_4M117R61ID35,117.019302368164,61.049124,60.5193246,205125097.7244,30,neg,57.0868878,63.421962,./DS_201124_SC_full_PRM_neg_04.mzML,C4H6O4,C(CC(=O)O)C(=O)O,Succinic Acid,Natural product in food,1110.0,butanedioic acid,"['succinic acid', 'butanedioic acid', '110-15-6', 'Amber acid', 'Wormwood acid', 'Asuccin', 'Dihydrofumaric acid', 'Katasuccin', '1,2-Ethanedicarboxylic acid', 'Bernsteinsaure', 'ethylenesuccinic acid', '1,4-Butanedioic acid', 'Wormwood', 'Succinicum acidum', 'Butandisaeure', 'Acidum succinicum', 'Butanedionic acid', 'Kyselina jantarova', 'Butane diacid', 'Ethylene dicarboxylic acid', 'Bernsteinsaure [German]', 'Kyselina jantarova [Czech]', 'Ammonium succinate', 'HSDB 791', 'succinic-acid', 'MFCD00002789', 'succ', 'NSC 106449', 'AI3-06297', 'AB6MNQ6J6L', 'NSC-106449', 'E363', 'FEMA NO. 4719', 'CHEBI:15741', 'NSC25949', 'SuccinicAcid(IndustrialGrade&FoodGrade)', 'NCGC00159372-02', 'NCGC00159372-04', 'Succinellite', 'acide succinique', 'Sal succini', 'DSSTox_CID_3602', 'WLN: QV2VQ', 'DSSTox_RID_77102', 'DSSTox_GSID_23602', '26776-24-9', 'SIN', 'Ethylene succinic acid', 'Ethanedicarboxylic acid', 'Bernsteinsaeure', 'sodium succinate (anhydrous)', 'succinate, 9', 'acide butanedioique', 'CAS-110-15-6', 'Succinic acid [NF]', 'Succinic acid (8CI)', 'Butanedioic acid (9CI)', 'EINECS 203-740-4', 'UNII-AB6MNQ6J6L', 'BRN 1754069', 'Dihydrofumarate', 'Succinicate', 'Butanedioic acid diammonium salt', '1cze', 'Nat.Succinic Acid', '1,4-Butanedioate', 'Succinic acid, 6', 'Succinic acid, FCC', 'Succinic Acide,(S)', 'Succinic Acid (SA)', '1,4-Butandioic Acid', 'Succinic acid, 99%', 'Succinic acid, natural', '4lh2', '1,2-Ethanedicarboxylate', 'suc', 'Succinic acid, ACS grade', 'bmse000183', 'bmse000968', 'CHEMBL576', 'EC 203-740-4', 'SUCCINIC ACID [II]', 'SUCCINIC ACID [MI]', 'HOOC-CH2-CH2-COOH', 'SUCCINIC ACID [FCC]', 'A 12084', 'SUCCINIC ACID [HSDB]', 'SUCCINIC ACID [INCI]', '4-02-00-01908 (Beilstein Handbook Reference)', 'SUCCINIC ACID [VANDF]', 'SUCCINIC ACID [MART.]', 'GTPL3637', 'SUCCINIC ACID [USP-RS]', 'SUCCINIC ACID [WHO-DD]', 'DTXSID6023602', 'SUCCINICUM ACIDUM [HPUS]', 'BDBM26121', 'Succinic acid (Butanedioic acid)', 'HMS3885O04', 'ZINC895030', 'HY-N0420', 'STR02803', 'Tox21_111612', 'Tox21_201918', 'Tox21_303247', 'BBL002473', 'LMFA01170043', 'NSC-25949', 'NSC106449', 's3791', 'STK387105', 'SUCCINIC ACID [USP IMPURITY]', 'Succinic acid, >=99%, FCC, FG', 'Succinic acid, BioXtra, >=99.0%', 'AKOS000118899', 'Tox21_111612_1', 'CCG-266069', 'DB00139', 'NCGC00159372-03', 'NCGC00159372-05', 'NCGC00159372-06', 'NCGC00257092-01', 'NCGC00259467-01', 'Succinic acid, ACS reagent, >=99.0%', 'BP-21128', 'Succinic acid, ReagentPlus(R), >=99.0%', 'ADIPIC ACID IMPURITY B [EP IMPURITY]', 'CS-0008946', 'FT-0652509', 'FT-0773657', 'S0100', 'Succinic acid, p.a., ACS reagent, 99.0%', 'Succinic acid, SAJ first grade, >=99.0%', 'EN300-17990', 'SUCCINIC ACID HIGH PURITY GRADE 2.5KG', 'Succinic acid, purum p.a., >=99.0% (T)', 'Succinic acid, SAJ special grade, >=99.5%', '1,4-BUTANEDIOIC ACID  (SUCCINIC ACID)', 'A14596', 'C00042', 'D85169', 'Succinic acid, Vetec(TM) reagent grade, 98%', 'AB01332192-02', 'Q213050', 'SR-01000944556', 'J-002386', 'SR-01000944556-2', 'Z57127453', 'F2191-0239', '37E8FFFB-70DA-4399-B724-476BD8715EF0', 'Succinic acid, certified reference material, TraceCERT(R)', 'Succinic acid, puriss. p.a., ACS reagent, >=99.5% (T)', 'Succinic acid, United States Pharmacopeia (USP) Reference Standard', 'Succinic acid, matrix substance for MALDI-MS, >=99.5% (T), Ultra pure', 'Succinic acid, anhydrous, free-flowing, Redi-Dri(TM), ACS reagent, >=99.0%', 'Succinic acid, BioReagent, suitable for cell culture, suitable for insect cell culture', 'Succinic Acid, Pharmaceutical Secondary Standard; Certified Reference Material']",SIRIUS|suspectlist,1.0,3.0,Organic acids and derivatives,Carboxylic acids and derivatives,Dicarboxylic acids and derivatives,CANOPUS,C(CC(=O)O)C(=O)O
572,572,572,file_4M195R351ID68,195.051025390625,351.300867,351.275712818182,12098192.0458,30,neg,345.356214,357.126006,./DS_201124_SC_full_PRM_neg_04.mzML,C6H12O7,O=C(O)[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO,Gluconic Acid,Found in Bacteria,10690.0,"(2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanoic acid","['gluconic acid', 'D-gluconic acid', '526-95-4', 'dextronic acid', 'maltonic acid', 'Glycogenic acid', '(2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanoic acid', 'Glosanto', 'Pentahydroxycaproic acid', 'gluconate', 'Gluconic acid, D-', 'D-Gluco-hexonic acid', 'Gluconic acid (VAN)', '133-42-6', 'D-Gluconsaeure', 'D-Glukonsaeure', 'BRN 1726055', 'Glyconic acid', 'Hexonic acid', 'R4R8J0Q44B', 'CHEBI:33198', 'Dextronate', 'Glycogenate', 'Glyconate', 'Maltonate', '157663-13-3', 'Gluconic Acid (contains Gluconolactone)', 'NSC 77381', '124423-64-9', 'GCO', 'AMMONIUM GLUCONATE', '2,3,4,5,6-pentahydroxyhexanoate', 'HSDB 487', '19222-41-4', 'EINECS 208-401-4', 'UNII-R4R8J0Q44B', 'sodium-gluconate', 'ketogluconic acid', 'NSC-77381', 'D-?Gluconic acid', 'Pentahydroxycaproate', 'GLUCONAL GA-50', 'DSSTox_CID_7169', 'SCHEMBL971', 'bmse000084', 'EC 208-401-4', 'GLUCONIC ACID [MI]', 'DSSTox_RID_78332', 'DSSTox_GSID_27169', 'GLUCONIC ACID [HSDB]', 'GLUCONIC ACID [INCI]', '4-03-00-01255 (Beilstein Handbook Reference)', 'GLUCONIC ACID [VANDF]', 'GLUCONIC ACID [MART.]', 'CHEMBL464345', 'INS NO.574', 'D-Gluconic acid 50% in water', 'GLUCONIC ACID [WHO-DD]', 'DTXSID8027169', 'DTXSID8042000', 'INS-574', 'GluconicAcid(containsGluconolactone)', 'HY-Y0569', 'ZINC1531008', '2,3,4,5,6-pentahydroxy-hexanoate', 'Tox21_202745', 'MFCD00004240', 's3595', '2,3,4,5,6-Pentahydroxycaproic acid', 'AKOS015895892', 'D-Gluconic acid - 45-50% in water', 'DB13180', '2,3,4,5,6-pentahydroxy-hexanoic acid', 'NCGC00260293-01', 'CAS-526-95-4', 'E574', 'CS-0015343', 'E-574', 'G0036', '2,3,4,5,6-Pentahydroxycaproic acid solution', 'C00257', 'D70789', 'EN300-7392806', 'Q407569', 'W-109086', 'WURCS=2.0/1,1,0/[A2122h]/1/', '6E52B5FC-5676-4139-977A-4D643EDDB159']",nan|suspectlist,2.0,2.0,Organic acids and derivatives,Hydroxy acids and derivatives,Medium-chain hydroxy acids and derivatives,CANOPUS,C(C(C(C(C(C(=O)O)O)O)O)O)O
607,607,607,file_22M182R199ID32,182.079956054688,199.436742,198.630474,0.0,30,pos,176.016294,219.443844,./DS200309_Scost_QC_70k_pos_PRM.mzML,C9H11NO3,C1=CC(=CC=C1C[C@@H](C(=O)O)N)O,L-Tyrosine,,6057,(2S)-2-amino-3-(4-hydroxyphenyl)propanoic acid,"['L-tyrosine', 'tyrosine', '60-18-4', '(S)-Tyrosine', 'p-Tyrosine', 'L-p-Tyrosine', '(2S)-2-amino-3-(4-hydroxyphenyl)propanoic acid', 'H-Tyr-OH', '4-Hydroxy-L-phenylalanine', 'Tyrosine, L-', 'Tyrosinum [Latin]', 'Tyrosine (VAN)', 'Tirosina [Spanish]', 'L-(-)-Tyrosine', '(-)-alpha-Amino-p-hydroxyhydrocinnamic acid', 'L-Phenylalanine, 4-hydroxy-', 'beta-(p-Hydroxyphenyl)alanine', 'Tyrosine [USAN:INN]', 'FEMA No. 3736', '(S)-alpha-Amino-4-hydroxybenzenepropanoic acid', 'L-2-Amino-3-p-hydroxyphenylpropanoic acid', '3-(4-Hydroxyphenyl)-L-alanine', '(S)-3-(p-Hydroxyphenyl)alanine', '(S)-(-)-Tyrosine', 'HSDB 2003', 'alpha-Amino-beta-(4-hydroxyphenyl)propionic acid', 'AI3-09055', 'tirosina', 'Propanoic acid, 2-amino-3-(4-hydroxyphenyl)-, (S)-', 'NSC 82624', 'alpha-Amino-p-hydroxyhydrocinnamic acid, (-)-', 'L-Tyr', '(S)-2-Amino-3-(4-hydroxyphenyl)propanoic acid', '(S)-2-Amino-3-(p-hydroxyphenyl)propionic acid', 'L-Tyrosine, monomer', 'alpha-Amino-4-hydroxybenzenepropanoic acid, (S)-', '2-Amino-3-(4-hydroxyphenyl)propanoic acid, (S)-', 'Benzenepropanoic acid, alpha-amino-4-hydroxy-, (S)-', 'MFCD00002606', 'tyr', '25619-78-7', 'CHEBI:17895', 'NSC-82624', '42HK56048U', 'NCGC00159350-02', 'Tyrosine (L-Tyrosine)', 'Tyrosinum', 'DSSTox_CID_3730', 'L-Tyrosin', '(-)-.alpha.-Amino-p-hydroxyhydrocinnamic acid', 'DSSTox_RID_77170', 'DSSTox_GSID_23730', 'CAS-60-18-4', 'L-Tyrosine (9CI)', '4ts1', 'Tyrosine (USP/INN)', 'EINECS 200-460-4', 'plovamer-acetate', 'Benzenepropanoate', 'UNII-42HK56048U', '2csm', '(S)-2-Amino-3-(4-hydroxyphenyl)propionic acid', '(L)-Tyrosine', '(-) tyrosine', 'H-Tyr', 'L-Tyrosine,(S)', 'L-Tyrosine (JP17)', 'TYROSINE [HSDB]', 'TYROSINE [INCI]', 'TYROSINE [USAN]', 'TYROSINE [INN]', 'TYROSINE [II]', 'TYROSINE [MI]', 'L-TYR-OH', 'TYROSINE [VANDF]', 'Tyrosine, L- (8CI)', '.alpha.-Amino-.beta.-(4-hydroxyphenyl)propionic acid', 'L-TYROSINE [FCC]', 'L-TYROSINE [JAN]', 'Melanin synthesized from Tyr substrate catalyzed by tyrosinase for 6 hrs', 'TYROSINE [MART.]', 'bmse000051', 'CHEMBL925', 'L-TYROSINE [FHFI]', 'TYROSINE [WHO-DD]', 'SCHEMBL1581', 'L-[U-14C]Tyr', 'L-Phenylalanine-4-hydroxy-', 'L-Tyrosine non-animal source', 'L-TYROSINE [USP-RS]', 'Levodopa impurity, l-tyrosine-', 'TYROSINE [ORANGE BOOK]', 'GTPL4791', 'L-Tyrosine, >=97%, FG', 'TYROSINE [EP MONOGRAPH]', 'DD69927C-C6A8-4BC6-8E9A-0AB423B176E7', 'DTXSID1023730', 'TYROSINE [USP MONOGRAPH]', 'BDBM18129', 'ZINC266964', 'N-acetyl-o-(dihydroxymethylsilyl)-', 'HY-N0473', 'L-Tyrosine, Vetec(TM), 98.5%', 'Tox21_111594', '(-)-a-Amino-p-hydroxyhydrocinnamate', 'AC2634', 's4608', 'AKOS010400205', 'Tox21_111594_1', '(S)-a-Amino-4-hydroxybenzenepropanoate', 'AM82304', 'CS-8013', 'DB00135', '(-)-alpha-Amino-p-hydroxyhydrocinnamate', '(-)-a-Amino-p-hydroxyhydrocinnamic acid', '(S)-3-(4-HYDROXYPHENYL)ALANINE', '(S)-a-amino-4-hydroxy-Benzenepropanoate', 'NCGC00159350-03', 'NCGC00344525-01', 'AC-11295', 'AS-11772', 'BP-13285', 'LEVODOPA IMPURITY B [EP IMPURITY]', '(S)-alpha-Amino-4-hydroxybenzenepropanoate', 'DIETHYL1,3,5-BENZENETRICARBOXYLATE', 'L-Tyrosine, BioUltra, >=99.0% (NT)', '(S)-2-Amino-3-(p-hydroxyphenyl)propionate', '(S)-a-Amino-4-hydroxybenzenepropanoic acid', 'DB-029987', 'L-Tyrosine, Free Base - CAS 60-18-4', '(S)-a-amino-4-hydroxy-Benzenepropanoic acid', '(S)-alpha-amino-4-hydroxy-Benzenepropanoate', 'L-Tyrosine, reagent grade, >=98% (HPLC)', 'L-Tyrosine, SAJ special grade, >=99.0%', 'T0550', 'EN300-52629', 'C00082', 'D00022', 'D70837', 'L-Tyrosine, Vetec(TM) reagent grade, >=98%', 'M02963', '(2S)-2-amino-3-(4-hydroxyphenyl)propanoicacid', '(S)-alpha-amino-4-hydroxy-Benzenepropanoic acid', 'L-Tyrosine, Cell Culture Reagent (H-L-Tyr-OH)', '(S)-.alpha.-Amino-4-hydroxybenzenepropanoic acid', '002T606', '2-Amino-3-(4-hydroxyphenyl)propanoic acid-(S)-', 'A832631', 'N-ACETYLTYROSINE IMPURITY A [EP IMPURITY]', 'Q188017', 'J-521656', 'Propanoic acid, 2-amino-3-(4-hydroxyphenyl)-(S)-', 'LEVODOPA IMPURITY, L-TYROSINE- [USP IMPURITY]', 'Q27115106', 'Benzenepropanoic acid, .alpha.-amino-4-hydroxy-, (S)-', 'F8889-8713', 'L-Tyrosine, certified reference material, TraceCERT(R)', 'Tyrosine, European Pharmacopoeia (EP) Reference Standard', 'Z756440046', 'L-Tyrosine, United States Pharmacopeia (USP) Reference Standard', '2-amino-3-(4-hydroxyphen yl)-2-amino-3-(4-hydroxyphenyl)-Propanoate', '2-amino-3-(4-hydroxyphen yl)-2-amino-3-(4-hydroxyphenyl)-Propanoic acid', 'Benzeneethanaminium,a-carboxy-4-hydroxy-N,N,N-trimethyl-,inner salt,(as)-', 'Benzeneethanaminium, a-carboxy-4-hydroxy-N,N,N-trimethyl-,inner salt, (aS)-', '1189756-47-5', 'L-Tyrosine, from non-animal source, meets EP, USP testing specifications, suitable for cell culture, >=99.0%']",nan|suspectlist,2.0,2.0,Organic acids and derivatives,Carboxylic acids and derivatives,"Amino acids, peptides, and analogues",ClassyFire,C1=CC(=CC=C1C[C@@H](C(=O)O)N)O
625,625,625,file_22M118R245ID50,118.064826965332,245.152527,245.7537105,0.0,30,pos,226.23279,266.476998,./DS200309_Scost_QC_70k_pos_PRM.mzML,C8H7N,C1=CC=C2C(=C1)C=CN2,Indole,produced by symbiotic bacteria involved in the growth of Skeletonema marino,798,1H-indole,"['indole', '1H-Indole', '120-72-9', '2,3-Benzopyrrole', 'Indol', '1-Benzazole', 'Ketole', '1-Azaindene', 'Benzopyrrole', '2,3-Benzopyrole', 'Caswell No. 498B', 'Indol [German]', 'Indole (natural)', '1-Benzo(b)pyrrole', '1H-Benzo[b]pyrrole', 'FEMA No. 2593', 'CCRIS 4421', 'HSDB 599', 'EPA Pesticide Chemical Code 025000', 'Benzo[b]pyrrole', 'AI3-01540', 'MFCD00005607', 'CHEMBL15844', 'CHEBI:16881', '8724FJW4M5', 'NSC-1964', 'Indole 100 microg/mL in Acetonitrile', 'NCGC00167539-01', 'DSSTox_CID_737', 'DSSTox_RID_75761', 'DSSTox_GSID_20737', '82451-55-6', 'IND', 'CAS-120-72-9', 'NSC 1964', 'EINECS 204-420-7', 'benzazole', 'mono-indole', 'UNII-8724FJW4M5', '1-H-indole', 'Indole, 7', 'INDOLUM', 'Indole (8CI)', 'Indole (white flake)', 'Indole, 98%', '1H-Indole (9CI)', 'INDOLUM [HPUS]', 'INDOLE [FHFI]', 'INDOLE [HSDB]', 'INDOLE [FCC]', 'INDOLE [USP-RS]', 'INDOLE [MI]', 'Indole, >=99%', 'SCHEMBL698', 'bmse000097', 'Indole, analytical standard', 'Indole, >=99%, FG', 'WLN: T56 BMJ', 'BIDD:GT0304', 'SCHEMBL940818', 'INDOLE   BENZO-PYRROLE', 'SCHEMBL1921769', 'SCHEMBL9559244', 'DTXSID0020737', 'AMY3411', 'NSC1964', '185l', 'BCP27232', 'STR01201', 'Tox21_112536', 'Tox21_201677', 'Tox21_302937', 'BBL011739', 'BDBM50094702', 's6358', 'STL163380', 'ZINC14516984', 'AKOS000119629', 'Tox21_112536_1', 'CG-0501', 'CS-W001132', 'DB04532', 'HY-W001132', 'Indole, puriss., >=98.5% (GC)', 'NCGC00167539-02', 'NCGC00167539-03', 'NCGC00256348-01', 'NCGC00259226-01', 'BP-10563', 'DS-011308', 'FT-0627211', 'I0021', 'EN300-18285', 'C00463', 'I-0800', 'I-0810', 'Q319541', 'SR-01000944736', 'SR-01000944736-1', 'Z57833933', 'F2190-0647']",SIRIUS|suspectlist,1.0,3.0,Organoheterocyclic compounds,Indoles and derivatives,Indoles,ClassyFire,C1=CC=C2C(=C1)C=CN2
675,675,675,file_22M255R319ID100,255.106521606445,318.757482,320.255409,0.0,30,pos,292.665048,350.841624,./DS200309_Scost_QC_70k_pos_PRM.mzML,C9H18O8,C(C1C(C(C(C(O1)OCC(CO)O)O)O)O)O,(2R)-1-O-beta-D-Galactopyranosylglycerol,,4302177,"2-(2,3-dihydroxypropoxy)-6-(hydroxymethyl)oxane-3,4,5-triol","['(2R)-Glycerol-O-beta-D-galactopyranoside', '(2R)-1-O-beta-D-Galactopyranosylglycerol', '2-(2,3-dihydroxypropoxy)-6-(hydroxymethyl)oxane-3,4,5-triol', '16232-91-0', '38841-15-5', 'SCHEMBL13851826', 'SCHEMBL20083165', 'CHEBI:144569', 'CHEBI:191711', 'ZINC00901911', '(2S)-Glycerol-O-EC-D-galactopyranoside', '1-O-(2R)-Glycerol-b-D-galactopyranoside', 'FT-0669026', 'FT-0669027']",SIRIUS|suspectlist,1.0,3.0,Organic oxygen compounds,Organooxygen compounds,Carbohydrates and carbohydrate conjugates,CANOPUS,C([C@@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)OCC(CO)O)O)O)O)O
697,697,697,file_22M127R343ID122,127.03833770752,343.392174,344.40925,0.0,30,pos,322.819326,367.01625,./DS200309_Scost_QC_70k_pos_PRM.mzML,C6H13O9P,C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)OP(=O)(O)O)O)O)O)O,Glucose-1-phosphate,,65533,"[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] dihydrogen phosphate","['Glucose-1-phosphate', 'alpha-D-glucose-1-phosphate', 'cori ester', '59-56-3', 'alpha-D-Glucose 1-phosphate', 'Glucose 1-(dihydrogen phosphate)', 'alpha-glucose-1-phosphate', 'D-glucose 1-phosphate', 'alpha-D-Glucopyranosyl phosphate', 'Glucose monophosphate', 'glucose-1P', '1-O-phosphono-alpha-D-glucopyranose', 'D-Glucose alpha-1-phosphate', 'CIX3U01VAU', 'alpha-D-Glucopyranose, 1-(dihydrogen phosphate)', 'D-glucose-1-phosphate', 'CHEBI:29042', '.alpha.-D-Glucopyranose, 1-(dihydrogen phosphate)', 'alpha-D-glucose-1-P', 'G1P', '56401-20-8', 'UNII-CIX3U01VAU', 'Glucos P', 'delta-glucose-1-P', 'EINECS 200-435-8', 'D-glucose-1-P', 'D-Glucose, 1-(dihydrogen phosphate)', 'a-D-Glucose 1-phosphate', 'alpha-glucose 1-phosphate', 'delta-glucose 1-phosphate', 'delta-Glucose-1-phosphate', 'bmse000086', 'Epitope ID:145002', 'alpha-D-glucopyranose 1-(dihydrogen phosphate)', 'a-D-Glucopyranosyl phosphate', 'SCHEMBL184242', 'delta-Glucopyranose 1-phosphate', '.alpha.-D-Glucose 1-phosphate', 'alpha-delta-Glucose 1-phosphate', 'alpha-delta-glucose-1-phosphate', 'BDBM23188', 'DTXSID90889321', 'ALFA- GLUCOSE-1-PHOSPHATE', 'alpha-delta-Glucopyranosyl phosphate', 'ZINC4073375', '.ALPHA.-GLUCOSE-1-PHOSPHATE', 'DB02843', '[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] dihydrogen phosphate', '.ALPHA.-GLUCOSE-1-PHOSPHATE [MI]', '.ALPHA.-D-GLUCOPYRANOSE-1-PHOSPHATE', 'ALPHA-D-GLUCOSE-1-PHOSPHATENA2-SALT', 'ALFA- GLUCOSE-1-PHOSPHATE [WHO-DD]', 'C00103', 'Q418865', '.alpha.-D-Glucose 1-phosphate disodium salt hydrate', 'alpha-D-Glucopyranose, 1-(dihydrogen phosphate) (9CI)', 'Glucopyranose, 1-(dihydrogen phosphate), alpha-D- (8CI)', 'WURCS=2.0/1,1,0/[a2122h-1a_1-5_1*OPO/3O/3=O]/1/', '[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl] dihydrogen phosphate', '[(2R,3R,4S,5S,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl] dihydrogen phosphate', '{[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phosphonic acid', '(2R,3R,4S,5S,6R)-3,4,5-Trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl dihydrogen phosphate', '(2R,3R,4S,5S,6R)-3,4,5-Trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yldihydrogenphosphate', 'ALPHA-D-GLUCOSE-1-PHOSPHATE; 1-O-phosphono-alpha-D-glucose; 1-O-phosphono-D-glucose; 1-O-phosphono-glucose']",GNPS|suspectlist,1.0,2.0,Organic oxygen compounds,Organooxygen compounds,Carbohydrates and carbohydrate conjugates,ClassyFire,C([C@H]1[C@H]([C@H]([C@@H]([C@H](O1)OP(=O)(O)O)O)O)O)O
736,736,736,file_22M104R385ID161,104.069877624512,384.593868,384.125914,0.0,30,pos,363.92565,403.858224,./DS200309_Scost_QC_70k_pos_PRM.mzML,C4H9NO2,CN(C)CC(=O)O,"N,N-dimethylglycine",Found in S. marinoi,673,2-(dimethylamino)acetic acid,"['N,N-dimethylglycine', '1118-68-9', 'dimethylglycine', '2-(dimethylamino)acetic acid', '(Dimethylamino)acetic acid', 'glycine, N,N-dimethyl-', 'N-Methylsarcosine', 'N,N-Dimethylaminoacetic acid', 'N,N-Dimethyl Glycine', 'BRN 1700261', 'MFCD00004283', '7797M4CPPA', 'CHEBI:17724', 'EINECS 214-267-8', 'UNII-7797M4CPPA', 'dimethyl glycine', 'N,N-dimethyglycine', 'N,N-dimethylglycin', 'N,N-Dimthylglycine', 'N,N dimethylglycine', 'n,n,-dimethylglycine', 'n,n-dimethyl-glycine', 'N, N-dimethylglycine', 'N,N dimethyl glycine', 'Dimethylglycine Powder', '(Dimethylamino)acetate', 'dimethylaminoacetic acid', 'N, N-dimethyl glycine', 'N,-N-dimethyl glycine', 'dimethylamino acetic acid', 'dimethylamino-acetic acid', 'N,N-Dimethylaminoacetate', '2-(Dimethylamino)acetate', '2-dimethylaminoacetic acid', '2-(dimethylammonio)acetate', 'bmse000241', '2-(dimethylamino)aceticacid', 'SCHEMBL21778', '(Dimethylamino)acetic acid #', '4-04-00-02365 (Beilstein Handbook Reference)', 'N,N-Dimethylglycine, >=99%', 'SCHEMBL8125857', 'CHEMBL1232274', 'DTXSID6074336', 'N,N-DIMETHYLGLYCINE [MI]', 'ZINC895466', 'CS-D1391', 'HY-Y0511', 'STR05828', 's6056', 'STL138371', 'N,N-DIMETHYLGLYCINE [WHO-DD]', 'AKOS003590893', 'DB02083', 'N-Methylsarcosine N,N-dimethyl-Glycine', 'NCGC00532505-01', '780741-89-1', 'BP-10272', 'SY001194', 'DB-041016', 'AM20080064', 'D3585', 'FT-0629542', 'Q4369', 'EN300-66975', '18D689', 'C01026', 'N,N-Dimethylglycine, puriss., >=99.0% (NT)', 'A802428', 'Q-201431', 'Z235580496', '3C95768C-C28C-4AF9-A119-01AC8F0B963B', 'N,N-Dimethylglycine, for HPLC derivatization, >=99% (NT)']",SIRIUS|suspectlist,1.0,3.0,Organic acids and derivatives,Carboxylic acids and derivatives,"Amino acids, peptides, and analogues",CANOPUS,CN(C)CC(=O)O
737,737,737,file_22M116R385ID162,116.070037841797,384.96999,384.50587,0.0,30,pos,364.31202,404.2356,./DS200309_Scost_QC_70k_pos_PRM.mzML,C5H9NO2,C1C[C@H](NC1)C(=O)O,Proline,,145742,(2S)-pyrrolidine-2-carboxylic acid,"['L-proline', 'proline', '147-85-3', 'L-(-)-Proline', '(S)-Pyrrolidine-2-carboxylic acid', '(2S)-pyrrolidine-2-carboxylic acid', 'H-Pro-OH', '2-pyrrolidinecarboxylic acid', '(-)-Proline', '(-)-(S)-Proline', '(S)-2-Pyrrolidinecarboxylic acid', 'Prolinum', '(-)-2-Pyrrolidinecarboxylic acid', 'L-Pyrrolidine-2-carboxylic acid', 'prolina', '(S)-Proline', 'L-alpha-Pyrrolidinecarboxylic acid', 'L-Prolin', 'Prolinum [Latin]', 'Prolina [Spanish]', 'Proline, L-', 'Proline (VAN)', '(S)-2-Carboxypyrrolidine', 'Proline [USAN:INN]', 'FEMA No. 3319', '(L)-PROLINE', '(S)-(-)-Proline', '2-Pyrrolidinecarboxylic acid, (S)-', 'FEMA Number 3319', 'CB 1707', 'PRO (IUPAC abbreviation)', 'L-Proline, labeled with carbon-14', 'HSDB 1210', 'AI3-26710', '9DLQ4CIU6V', 'CHEMBL54922', 'L-2-pyrrolidinecarboxylic acid', '37159-97-0', '4305-67-3', 'CHEBI:17203', 'NSC-46703', 'Proline (L-Proline)', 'MFCD00064318', 'Carboxypyrrolidine', 'L-(2,3-3H)Proline', 'Proline (USP)', '(2S)-pyrrolidin-1-ium-2-carboxylate', 'EINECS 205-702-2', 'UNII-9DLQ4CIU6V', 'NSC 46703', '2-Pyrrolidinecarboxylate', 'racemic proline', 'rac-proline', 's-proline', '3h-l-proline', 'L-Proline;', '(s)-prolin', 'femanumber3319', 'H-Pro', '(2S)-proline', 'Pro-OH', 'L-Proline,(S)', 'L-Pro-OH', '(-)-Proline (S)-2-Carboxypyrrolidine', 'L-Proline (JP17)', 'PROLINE [VANDF]', 'PROLINE [HSDB]', 'PROLINE [INCI]', 'PROLINE [USAN]', 'PROLINE [INN]', 'PROLINE [II]', 'PROLINE [MI]', 'L-PROLINE [FCC]', 'L-PROLINE [JAN]', 'PROLINE [MART.]', 'L-PROLINE [FHFI]', 'PROLINE [WHO-DD]', 'bmse000047', 'bmse000947', 'EC 205-702-2', '(2S)-2-carboxypyrrolidine', 'SCHEMBL7792', 'L-PROLINE [USP-RS]', '(S)-2-Pyrralidinecarboxylate', '(S)-2-Pyrrolidinecarboxylate', '(-)-2-Pyrrolidinecarboxylate', '(s)-2-pyrrolidinecarboxylicaci', 'PROLINE [EP MONOGRAPH]', '(S)-(-)-PROLIN', 'GTPL3314', '(s)-2-pyrrolidinecarboxylicacid', 'PROLINE [USP MONOGRAPH]', 'DTXSID5044021', 'L-Proline, 99%, FCC, FG', '(S)-2-Pyrralidinecarboxylic acid', 'pyrrolidin-2-(S)-carboxylic acid', 'Pharmakon1600-01301007', 'ZINC895360', '(2S)-Pyrrolidin-2-carbonsalphaure', 'pyrrolidine-2-(S)-carboxylic acid', 'BCP25292', 'HY-Y0252', '(S) -pyrrolidine-2-carboxylic acid', 'L-Proline, >=99.0% (NT)', '(S)-(-)-Pyrrolidine-2-carboxylate', 'BDBM50000100', 'NCGC00014017', 'NSC760114', 's5629', 'AKOS010372120', 'AKOS015856025', 'CCG-214709', 'CS-W019861', 'DB00172', 'NSC-760114', '(S)-(-)-Pyrrolidine-2-carboxylic acid', 'NCGC00014017-02', 'NCGC00014017-03', 'NCGC00097126-01', 'AC-11190', 'AS-10803', 'L-Proline, BioUltra, >=99.5% (NT)', 'DB-029981', 'L-Proline, SAJ special grade, >=99.0%', 'AM20080359', 'BB 0242381', 'L-Proline, Vetec(TM), 98.5-101.5%', 'P0481', 'EN300-52624', 'L-Proline, Vetec(TM) reagent grade, >=99%', 'C00148', 'D00035', 'L-Proline, ReagentPlus(R), >=99% (HPLC)', 'M02947', 'P17692', '147P853', 'Q-201327', 'L-Proline, certified reference material, TraceCERT(R)', 'Q20035886', 'A01B5B63-CC3D-4796-A7B4-C2DE26A6FA93', 'F0001-2348', 'Proline, European Pharmacopoeia (EP) Reference Standard', 'Z756429958', 'L-Proline, United States Pharmacopeia (USP) Reference Standard', 'L-Proline, Pharmaceutical Secondary Standard; Certified Reference Material', 'L-Proline, from non-animal source, meets EP, USP testing specifications, suitable for cell culture']",MassBank|GNPS|suspectlist,2.0,2.0,Organic acids and derivatives,Carboxylic acids and derivatives,"Amino acids, peptides, and analogues",ClassyFire,OC(=O)C1CCCN1
750,750,750,file_22M218R394ID175,218.137069702148,393.738678,393.96905,0.0,30,pos,372.80433,415.364142,./DS200309_Scost_QC_70k_pos_PRM.mzML,C10H19NO4,CCC(=O)OC(CC(=O)[O-])C[N+](C)(C)C,Propionylcarnitine,Found in S. marinoi,107738,3-propanoyloxy-4-(trimethylazaniumyl)butanoate,"['Propionylcarnitine', 'Propionyl carnitine', '17298-37-2', 'O-Propionylcarnitine', '3-(propionyloxy)-4-(trimethylammonio)butanoate', '3-propanoyloxy-4-(trimethylazaniumyl)butanoate', '3-(propanoyloxy)-4-(trimethylazaniumyl)butanoate', 'CHEBI:28867', '3-Carboxy-N,N,N-trimethyl-2-(1-oxopropoxy)-1-propanaminium inner salt', '1-Propanaminium, 3-carboxy-N,N,N-trimethyl-2-(1-oxopropoxy)-, inner salt', 'HSDB 7589', 'Acylcarnitine C3:0', 'SCHEMBL156850', 'CHEMBL2074916', 'DTXSID20938255', 'LMFA07070105', 'O-propanoylcarnitine (internal charge)', 'HY-113092', 'CS-0059547', 'C03017', '(3-Carboxy-2-propanoyloxypropyl)-trimethylazanium', 'Q27103933']",GNPS|suspectlist,1.0,2.0,Lipids and lipid-like molecules,Fatty Acyls,Fatty acid esters,ClassyFire,CCC(=O)OC(CC(=O)[O-])C[N+](C)(C)C
755,755,755,file_22M325R399ID180,325.110961914063,399.180384,399.572424,0.0,30,pos,377.028426,422.508462,./DS200309_Scost_QC_70k_pos_PRM.mzML,C18H32O16,C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O[C@@H]2[C@H](O[C@@H]([C@@H]([C@H]2O)O)O[C@@H]3[C@H](OC([C@@H]([C@H]3O)O)O)CO)CO)O)O)O)O,maltotriose,"produced by bacteria, fungi, and plants",439586,"(2R,3R,4S,5S,6R)-2-[(2R,3S,4R,5R,6R)-4,5-dihydroxy-2-(hydroxymethyl)-6-[(2R,3S,4R,5R)-4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxyoxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol","['maltotriose', 'Amylotriose', '1109-28-0', 'D-(+)-Maltotriose', '113158-51-3', '(2R,3R,4S,5S,6R)-2-[(2R,3S,4R,5R,6R)-4,5-dihydroxy-2-(hydroxymethyl)-6-[(2R,3S,4R,5R)-4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxyoxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol', '(2R,3R,4S,5S,6R)-2-{[(2R,3S,4R,5R,6R)-4,5-dihydroxy-2-(hydroxymethyl)-6-{[(2R,3S,4R,5R)-4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy}oxan-3-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol', 'maltodextrin(n)', 'n+2 maltodextrin', 'Maltooligosaccharide', 'maltodextrin(n-2)', 'MFCD00006629', 'alpha-1,4-Glucotriose', 'delta-(+)-Maltotriose', 'Glcalpha1-4Glcalpha1-4Glc', 'SCHEMBL35349', 'CHEMBL4637211', 'CHEBI:140999', 'DTXSID801157137', 'AKOS016008517', 'D-Maltotriose 1000 microg/mL in Water', 'AC-34525', 'AS-56470', '4-O-(4-O-hexopyranosylhexopyranosyl)hexose', 'C01835', 'C01935', 'H10899', 'Q249208', 'alpha-D-Glc-(1->4)-alpha-D-Glc-(1->4)-D-Glc', 'alpha-D-Glcp-(1->4)-alpha-D-Glcp-(1->4)-D-Glcp', 'alpha-D-glucosyl-(1->4)-alpha-D-glucosyl-(1->4)-D-glucoose', '4-O-(4-O-alpha-D-Glucopyranosyl-alpha-D-glucopyranosyl)-D-glucopyranose', 'alpha-D-glucopyranosyl-(1->4)-alpha-D-glucopyranosyl-(1->4)-D-glucopyranose', 'O-alpha-D-Glucopyranosyl-(1-->4)-O-alpha-D-glucopyranosyl-(1-->4)-D-glucopyranose', 'O-alpha-D-Glucopyranosyl-(1beta94)-O-alpha-D-glucopyranosyl-(1beta94)-O-alpha-D-glucose', 'WURCS=2.0/2,3,2/[a2122h-1x_1-5][a2122h-1a_1-5]/1-2-2/a4-b1_b4-c1', '(3R,4R,5S,6R)-5-((2R,3R,4R,5S,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-((2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yloxy)tetrahydro-2H-pyran-2-yloxy)-6-(hydroxymethyl)tetrahydro-2H-pyran-2,3,4-triol', 'O-|A-D-Glucopyranosyl-(1 inverted exclamation marku4)-O-|A-D-glucopyranosyl-(1 inverted exclamation marku4)-D-glucopyranose', 'O-alpha-delta-Glucopyranosyl-(1beta94)-O-alpha-delta-glucopyranosyl-(1beta94)-O-alpha-delta-glucose']",GNPS|suspectlist,1.0,2.0,Organic oxygen compounds,Organooxygen compounds,Carbohydrates and carbohydrate conjugates,ClassyFire,OC[C@H]1O[C@H](O[C@@H]2[C@@H](CO)OC(O)[C@H](O)[C@H]2O)[C@H](O)[C@@H](O)[C@@H]1O
760,760,760,file_22M161R412ID185,161.091217041016,411.917166,411.256004,0.0,30,pos,390.256074,431.594772,./DS200309_Scost_QC_70k_pos_PRM.mzML,C6H12N2O3,CC(=O)NCCC(C(=O)O)N,4-acetamido-2-aminobutanoic acid,,902,4-acetamido-2-aminobutanoic acid,"['Butanoic acid, 4-(acetylamino)-2-amino-', '4-acetamido-2-aminobutanoic acid', '14531-48-7', 'SCHEMBL1512848', 'DTXSID10274290', '2-amino-4-acetylaminobutyric acid', 'CHEBI:188981', 'BAA19046', '2-Amino-4-(acetylamino)butanoic acid']",SIRIUS|suspectlist,1.0,3.0,Organic acids and derivatives,Carboxylic acids and derivatives,"Amino acids, peptides, and analogues",CANOPUS,CC(=O)NCC[C@@H](C(=O)O)N
779,779,779,file_22M132R427ID204,132.06477355957,427.401672,427.319468,0.0,30,pos,406.882452,447.67428,./DS200309_Scost_QC_70k_pos_PRM.mzML,C5H9NO3,C1C(CNC1C(=O)O)O,4-Hydroxyproline,,825,4-hydroxypyrrolidine-2-carboxylic acid,"['4-hydroxyproline', '4-hydroxypyrrolidine-2-carboxylic acid', 'H-CIS-HYP-OH', '6912-67-0', 'MFCD00064319', 'H-D-Hyp-OH', '18610-59-8', 'CHEBI:20392', '25249-07-4', 'Proline, 4-hydroxy-', 'cis-Hydroxyproline', 'L-Allohydroxyproline', 'allo-L-Hydroxyproline', 'allo-4-Hydroxyproline', 'L-Proline, allo-hydroxy-', 'trans-L-4-hydroxyproline', 'MFCD00005252', 'MFCD00064320', 'MFCD00065608', 'NSC-206274', 'D-Proline, cis-', 'L-Proline, cis-', '30724-02-8', '4Hyp', '4-Hydroxyproline #', 'UNII-ZF3SDT86E7', 'SCHEMBL22792', '49761-17-3', 'CIS-D-4-HYDROXYPROLINE', 'CHEMBL1213475', 'DTXSID60861573', 'Pyrrolidin-4-ol-2-carboxylic acid', 'ALBB-006175', 'BCP00339', '4-hydroxypyrrolidine-2-carboxylicacid', 'BBL001541', 'NSC122285', 'NSC206273', 'NSC206274', 'NSC206304', 'NSC524341', 'STK503752', 'AKOS000120765', 'AKOS016341054', 'AB00391', 'AB02585', 'MB00510', 'NSC 109549', 'NSC-122285', 'NSC-206273', 'NSC-206304', 'NSC-524341', 'PB47459', 'PS-6137', '4-hydroxy-pyrrolidine-2-carboxylic acid', 'NCI60_001735', 'SY003829', 'SY003831', 'SY009610', 'SY009611', 'DB-014737', 'A5168', 'A7577', 'BB 0219895', 'CS-0454925', 'FT-0601718', 'FT-0634378', 'FT-0634831', 'FT-0639142', 'FT-0657494', 'FT-0658704', 'FT-0687372', 'cis-2-Aminocyclohexanol?hydrochloride(racemic)', 'EN300-17169', 'E88341', 'Q411237', '4-Hydroxypyrrolidine-2-carboxylic acid, AldrichCPR', 'F2191-0189', '45180CC6-3061-475A-BA9E-E0160C6D1450', '2(1H)-QUINOLINONE,5-[3-[(1,1-DIMETHYLETHYL)AMINO]-2-HYDROXYPROPOXY]-3,4-DIHYDRO-,MONOHYDROCHLORIDE']",SIRIUS|suspectlist,1.0,3.0,Organic acids and derivatives,Carboxylic acids and derivatives,"Amino acids, peptides, and analogues",CANOPUS,C1C(CNC1C(=O)O)O
780,780,780,file_22M143R428ID205,143.080627441406,428.15292,428.208544,0.0,30,pos,408.398316,448.074396,./DS200309_Scost_QC_70k_pos_PRM.mzML,C6H10N2O2,CC1=NCCC(N1)C(=O)O,"2-Methyl-4-carboxy-3,4,5,6-tetrahydropyrimidine",,690,"2-methyl-1,4,5,6-tetrahydropyrimidine-6-carboxylic acid","['117305-84-7', 'NSC614616', '2-Methyl-4-carboxy-3,4,5,6-tetrahydropyrimidine', '2-methyl-1,4,5,6-tetrahydropyrimidine-6-carboxylic acid', '2-methyl-3,4,5,6-tetrahydropyrimidine-4-carboxylic acid', '2-Methyl-1,4,5,6,-tetrahydro-pyrimidine-4-carboxylic acid', 'MFCD03419286', 'NSC-614616', 'SCHEMBL844981', 'CHEBI:181182', 'BCP14520', '1,4,5,6-tetrahydro-2-methyl-4-pyrimidine carboxylic acid', 'AKOS006229455', 'AKOS030551173', 'SB55529', 'SY223897', 'FT-0612892', '4-Pyrimidinecarboxylic acid, 1,4,5,6-tetrahydro-2-methyl-', '4-Pyrimidinecarboxylic acid,4,5,6-tetrahydro-2-methyl-, (+)-', 'L-Ectoine; Ectoin; (6S)-2-methyl-1,4,5,6-tetrahydropyrimidine-6-carboxylic acid']",SIRIUS|suspectlist,1.0,3.0,Organic acids and derivatives,Carboxylic acids and derivatives,"Amino acids, peptides, and analogues",CANOPUS,CC1=NCC[C@H](N1)C(=O)O
809,809,809,file_22M116R471ID234,116.07048034668,470.940291,469.5100515,0.0,30,pos,446.876034,489.28359,./DS200309_Scost_QC_70k_pos_PRM.mzML,C5H9NO2,C1CC(NC1)C(=O)O,DL-Proline,,614,pyrrolidine-2-carboxylic acid,"['DL-Proline', '609-36-9', 'pyrrolidine-2-carboxylic acid', 'H-DL-Pro-OH', 'Proline, DL-', 'Proline DL-form', '2-Pyrrolidine carboxylic acid', 'MFCD00005250', 'Prolin', 'Hpro', '(+/-)-Pyrrolidine-2-carboxylic acid', 'NSC97923', 'DCS9E77JPQ', 'CHEMBL72275', 'CHEBI:26271', 'NSC-97923', '7005-20-1', '64298-80-2', 'UNII-DCS9E77JPQ', 'laevo-proline', 'CCRIS 8602', 'DL proline', 'MFCD00064318', 'D,L-proline', 'd,1-proline', 'Proline #', '10-proline', 'CCCu', 'EINECS 210-189-3', 'NSC 97923', 'DL-Proline,(S)', '(+/-)-proline', 'PROLINE,(L)', 'SCHEMBL2939', 'DSSTox_CID_21104', 'DSSTox_RID_79626', 'DSSTox_GSID_41104', 'PROLINE DL-FORM [MI]', 'L-Proline-[2,5,5-d3]', 'DL-2-Pyrrolidinecarboxylic acid', 'DTXSID9041104', 'DL-Pyrrolidine-2-carboxylic acid', 'ACT02242', 'BCP26673', 'NSC46703', '2-Pyrralidinecarboxylic acid, (S)-', '2-PYRROLIDINYLCARBOXYLIC ACID', 'Tox21_110042', 'BDBM50000105', 'DL-Proline, ReagentPlus(R), 99%', 'STK410971', '(R,S)-Pyrrolidine-2-carboxylic acid', 'AKOS000119715', 'AKOS016182584', 'AB02582', 'AB87033', 'CS-W013624', 'NCGC00014017-01', 'NCGC00166223-01', 'NCGC00166223-02', '25191-13-3', 'AC-24084', 'AS-10782', 'BP-13283', 'CAS-609-36-9', 'NCI60_042190', 'SY001305', 'SY001352', 'SY006205', 'DB-053748', 'AM20100482', 'DL-Proline, Vetec(TM) reagent grade, 98%', 'FT-0605174', 'FT-0625509', 'FT-0628004', 'FT-0659337', 'FT-0696952', 'P0480', 'EN300-20112', 'M02942', 'P-7240', '(2R)-pyrrolidin-1-ium-2-carboxylate;DL-Proline', '609P369', 'A832967', 'Q484583', 'J-300219', 'AD91343D-BC4F-4A8C-AC31-D9888F4607B8', 'F3157-0002', 'Z104476886', '2PC']",SIRIUS|MassBank|GNPS|suspectlist,3.0,2.0,Organic acids and derivatives,Carboxylic acids and derivatives,"Amino acids, peptides, and analogues",CANOPUS,OC(=O)C1CCCN1
810,810,810,file_22M147R473ID235,147.075805664063,472.740717,471.6782865,0.0,30,pos,450.44988,490.781832,./DS200309_Scost_QC_70k_pos_PRM.mzML,C5H10N2O3,C(CC(=O)N)C(C(=O)O)N,DL-Glutamine,,738,"2,5-diamino-5-oxopentanoic acid","['DL-Glutamine', '6899-04-3', '585-21-7', '2,5-diamino-5-oxopentanoic acid', 'glutamin', 'Glutamine, DL-', '2-amino-4-carbamoylbutanoic acid', 'H-DL-Gln-OH', '.gamma.-Glutamine', '(+/-)-Glutamine;DL-Gl', '2-Amino-4-carbamoylbutyric acid', 'NSC27421', 'NSC-97925', '5L555N1902', '159663-16-8', 'gamma-Glutamine', 'Glutamine DL-form', 'SR-01000075451', 'L-Glutamic acid .gamma.-amide', 'glutamina', 'Hgln', 'MFCD00065607', 'DL Glutamine', '(+-)-Glutamine', 'Glutaminsaeure-5-amid', 'DL-Gl', 'DL-GLN', 'GLUTAMINE,L-', 'Pomalidomide Impurity 4', 'glutamic acid gamma-amide', 'SCHEMBL7452', '(+/-)-GLUTAMINE', 'NCIOpen2_001762', 'GLUTAMINE DL-FORM [MI]', 'DTXSID1044304', 'CHEBI:28300', '2-amino-4-carbamoyl-butyric acid', 'UNII-5L555N1902', 'ACT03133', 'HY-B1346', 'NSC97925', 'EINECS 230-006-0', 'MFCD00065103', 'NSC 97925', 's3963', 'STL281858', 'AKOS000120990', 'AKOS016368274', 'CCG-266175', 'CS-4898', '( inverted exclamation markA)-Glutamine', 'AC-24108', 'DS-14402', 'Pentanoic acid,5-diamino-5-oxo-, (S)-', 'SY020875', 'AI3-32686', 'DB-053215', 'DB-053421', 'AM20100425', 'FT-0624572', 'FT-0627836', 'FT-0632444', 'FT-0669005', 'FT-0669006', 'FT-0695020', 'G0062', 'EN300-21443', 'A20658', 'A20672', 'C00303', '585G217', 'A915570', 'L000914', 'Q-101652', 'SR-01000075451-1', 'SR-01000075451-4', 'SR-01000075451-5', 'Q27103623', 'Z104497332', 'D3B73117-6905-4CF4-AC3E-565B11432FFA', '2,5-Diamino-5-oxpentanoicacid;5-diamino-5-oxo-(s)-pentanoicaci;Cebrogen;Glumin;Glutamic acid 5-amide', 'D(-)-Glutamic acid-5-amide;D-2-Aminoglutaramic acid;h-d-gln-oh;(R)-2-Amino-4-carbamoyl-butyric acid']",SIRIUS|MassBank|GNPS|suspectlist,3.0,2.0,Organic acids and derivatives,Carboxylic acids and derivatives,"Amino acids, peptides, and analogues",CANOPUS,C(CC(=O)N)[C@@H](C(=O)O)N
812,812,812,file_22M162R479ID237,162.075180053711,479.472042,478.5676236,0.0,30,pos,451.992366,501.862254,./DS200309_Scost_QC_70k_pos_PRM.mzML,C6H11NO4,CNC(CCC(=O)O)C(=O)O,N-Methyl-DL-glutamic acid,,268779,2-(methylamino)pentanedioic acid,"['N-Methyl-DL-glutamic acid', '35989-16-3', '2-(methylamino)pentanedioic acid', 'H-DL-Meglu-OH', 'N-Me-Glu-OH', 'N-Me-D-Glu-OH', 'Glutamic acid, N-methyl-', 'N-METHYL-D-GLUTAMIC ACID', 'DL-Glutamic acid, N-methyl-', 'NSC-109187', 'N-Methyl-DL-Glu', '7-methylglutamic acid', 'Me-DL-Glu-OH', 'N-Methylglutamic acid #', 'SCHEMBL180085', 'CHEMBL1160512', 'DTXSID00986911', 'CHEBI:180974', 'N--Methyl-L-glutamic acid hydrate', 'MFCD00037760', 'NSC109187', 'AKOS015851053', 'CS-W016140', 'HY-W015424', 'AS-60927', 'DB-010698', 'DB-013660', 'DB-014947', 'DB-055045', 'FT-0625393', 'FT-0636253', 'FT-0646545', 'FT-0771101', 'E78236', '795M792', 'A835795']",SIRIUS|suspectlist,1.0,3.0,Organic acids and derivatives,Carboxylic acids and derivatives,"Amino acids, peptides, and analogues",CANOPUS,CN[C@@H](CCC(=O)O)C(=O)O
823,823,823,file_22M106R483ID248,106.049743652344,483.016764,482.427831,0.0,30,pos,463.564782,500.113014,./DS200309_Scost_QC_70k_pos_PRM.mzML,C3H7NO3,C(C(C(=O)O)N)O,DL-Serine,,617,2-amino-3-hydroxypropanoic acid,"['DL-Serine', '302-84-1', '2-Amino-3-hydroxypropanoic acid', 'Serine DL-form', 'Serine, DL-', 'H-DL-Ser-OH', 'H-D-Ser-OH', 'SERINE, (L)', '3-Hydroxyalanine', 'DL-2-Amino-3-hydroxypropionic Acid', 'MFCD00064223', '00PAR1C66F', '2-Amino-3-hydroxy-propionic acid', 'NSC-9960', 'serin', '.beta.-Hydroxyalanine', 'd,l-serine', '(DL-Serine)', 'UNII-00PAR1C66F', 'NSC77689', 'CCRIS 5422', 'MFCD00004269', 'NSC-77689', 'NSC 9960', 'EINECS 206-130-6', 'Cycloserine Impurity 1', '(+/-)-2-Amino-3-hydroxypropionic acid', 'DL-Serine, 99%', 'DL-SERINE [FCC]', 'bmse000222', 'SCHEMBL1774', 'Ser-240', 'NCIOpen2_000684', 'DL-SERINE [WHO-DD]', 'DL-HOCH2CH(NH2)COOH', 'SERINE DL-FORM [MI]', 'DL-Serine, analytical standard', 'CHEBI:17822', 'DTXSID70859325', 'NSC9960', 'DL-Serine, >=98% (TLC)', 'ACT07798', 'BCP06311', 'HY-Y0507', 'BBL012102', 'LMFA01100045', 'NSC118365', 'NSC620355', 'Propanoic acid, 2-amino-3-hydroxy-', 's5545', 'STK125543', 'AKOS000120985', 'AKOS016050524', 'AKOS024264603', 'CCG-266039', 'NSC-620355', 'PB42509', '25821-52-7', 'AC-24074', 'AS-10813', 'SY003812', 'SY005114', '.alpha.-Amino-.beta.-hydroxypropionic acid', 'DB-047742', 'DL-Serine, Vetec(TM) reagent grade, 98%', 'AM20090412', 'CS-0015292', 'FT-0624388', 'FT-0625387', 'FT-0627627', 'FT-0688525', 'FT-0693445', 'EN300-18223', 'C00716', 'D70822', '302S841', 'L001012', 'SR-01000075474', 'J-017856', 'SR-01000075474-2', 'Q26997410', 'Z57396986', 'F1652-0637', '86DE1CCF-D642-4822-9B51-508B465A7DEC', 'DL-Serine, BioReagent, suitable for cell culture, suitable for insect cell culture, >=98% (HPLC)']",SIRIUS|suspectlist,1.0,3.0,Organic acids and derivatives,Carboxylic acids and derivatives,"Amino acids, peptides, and analogues",CANOPUS,C([C@H](C(=O)O)N)O
839,839,839,file_22M147R659ID264,147.112655639648,658.58472,660.6189144,0.0,30,pos,635.54838,693.06696,./DS200309_Scost_QC_70k_pos_PRM.mzML,C6H14N2O2,C(CCN)CC(C(=O)O)N,DL-Lysine,,866,"2,6-diaminohexanoic acid","['DL-Lysine', '70-54-2', '2,6-diaminohexanoic acid', 'Lysine, DL-', 'H-DL-Lys-OH', 'CHEBI:25094', 'L-Lysine base', 'AI4RT59273', 'MFCD00064432', 'lysin', 'Lysine monohydrochloride', 'Lysine #', '(RS)-Lysine', '(+-)-Lysine', '4,4,5,5-tetradeuterolysine', 'endolysin', 'laevo-lysine', 'UNII-AI4RT59273', 'CCRIS 8600', 'MFCD00008234', 'MFCD00064433', 'DL-Lysine base', '(+-)-2,6-Diaminohexanoic acid', 'NCGC00164527-01', 'dextro,laevo-lysine', 'DL-alpha,epsilon-Diaminocaproic acid', 'EINECS 200-740-6', 'DL-Lysine, 98%', 'TETRODOTOXINCITRATE', 'Lys106', '2,6-diamino-hexanoic acid', 'EC 200-740-6', 'lysine-4,4,5,5-d4', 'CHEMBL28328', '2,6-bis(azanyl)hexanoic acid', '(+/-)-LYSINE', 'alpha,epsilon-Diaminocaproic acid', 'DTXSID90859004', 'CHEBI:132486', '(+/-)-2,6-Diaminocaproic acid', 'HY-B2236', '(4,4,5,5-(2)H4)lysine', 'BBL002414', 'NSC620353', 'STK387123', 'AKOS005441647', 'CS-7806', 'NSC-620353', 'SB23228', 'DL-Lysine, purum, >=95.0% (NT)', 'NCGC00164527-02', 'NCGC00166296-01', 'AS-56068', 'SY006101', 'SY006447', 'SY279831', '(+/-)-2,6-DIAMINOHEXANOIC ACID', 'DB-055428', 'DB-057298', 'AM20100662', 'FT-0625483', 'FT-0625535', 'FT-0627942', 'FT-0693447', 'FT-0695058', 'FT-0772133', 'EN300-34227', 'DL-.ALPHA.,.EPSILON.-DIAMINOCAPROIC ACID', '064L432', 'A836916', 'L001250', 'Q178430', 'SR-01000944856', 'Q-201026', 'SR-01000944856-1', '( inverted exclamation markA)-2,6-Diaminocaproic acid', '4D4E4503-F6A2-417D-A303-BDCAF08D1EBE', 'Z57127389', 'F8880-9052', '6899-06-5']",SIRIUS|suspectlist,1.0,3.0,Organic acids and derivatives,Carboxylic acids and derivatives,"Amino acids, peptides, and analogues",CANOPUS,NCCCC[C@H](N)C(O)=O
877,877,877,file_5M123R62ID35,122.975776672363,61.806468,61.1196794,14710850.38647,30,neg,57.3453762,64.207194,./DS_201124_SC_full_PRM_neg_05.mzML,C2H4O4S,C(C=O)S(=O)(=O)O,Sulfoacetaldehyde,,160226.0,2-oxoethanesulfonic acid,"['Sulfoacetaldehyde', '2-oxoethanesulfonic acid', '32797-12-9', '2-Sulfoacetaldehyde', 'Ethanesulfonic acid, 2-oxo-', 'SCHEMBL639617', 'CHEBI:17717', 'DTXSID50186464', 'C00593', 'Q27102552']",SIRIUS|suspectlist,1.0,3.0,Organic acids and derivatives,Organic sulfonic acids and derivatives,Organosulfonic acids and derivatives,CANOPUS,C(C=O)S(=O)(=O)O
910,910,910,file_5M135R354ID68,135.029891967773,354.040326,354.042146727273,26750437.13229,30,neg,348.248046,359.78586,./DS_201124_SC_full_PRM_neg_05.mzML,C4H8O5,C(C(C(C(=O)O)O)O)O,"2,3,4-Trihydroxybutanoic acid",,439535.0,"2,3,4-trihydroxybutanoic acid","['2,3,4-trihydroxybutanoic acid', '10191-35-2', 'Butanoic acid, 2,3,4-trihydroxy-', '2,3,4-trihydroxybutyric acid', '13752-84-6', '3909-12-4', '2,3,4-TRIHYDROXYBUTANOICACID', 'SCHEMBL120198', 'CHEBI:49060', 'DTXSID10863289', 'butanoic acid,2,3,4-trihydroxy-', 'AKOS006221012', 'SB45798', 'SB84356', 'FT-0609394', 'EN300-154797', 'Q27121461', '3BABF1E0-182C-4B9D-B236-C177DB539CD1']",SIRIUS|suspectlist|suspectlist,1.0,3.0,Organic acids and derivatives,Hydroxy acids and derivatives,Beta hydroxy acids and derivatives,CANOPUS,C([C@@H]([C@H](C(=O)O)O)O)O
1101,1101,1101,file_20M261R58ID47,261.058227539063,57.860145,58.36076544,8244430.873779,30,pos,53.772414,63.362982,./DS_201124_SC_full_PRM_pos_10.mzML,C29H50O2,OC=1C(=C(C=2OC(C)(CCC2C1C)CCCC(C)CCCC(C)CCCC(C)C)C)C,DL-alpha-Tocopherol,,2116,"2,5,7,8-tetramethyl-2-(4,8,12-trimethyltridecyl)-3,4-dihydrochromen-6-ol","['DL-ALPHA-TOCOPHEROL', '10191-41-0', 'alpha-tochopherol', 'Ephanyl', 'Tocopheroxy radical', 'all-rac-alpha-Tocopherol', 'TOCOPHEROL', 'alpha-Tocopherol, DL-', 'DL-alpha tocopherol', 'Vitamin E DL-alpha', '113085-06-6', 'dl-.alpha.-Tocopherol', '2,5,7,8-tetramethyl-2-(4,8,12-trimethyltridecyl)-3,4-dihydrochromen-6-ol', 'DL-5,7,8-trimethyltocol', '7QWA1RIO01', 'CHEMBL49563', '2,5,7,8-tetramethyl-2-(4,8,12-trimethyltridecyl)-3,4-dihydro-2H-1-benzopyran-6-ol', '2H-1-Benzopyran-6-ol, 3,4-dihydro-2,5,7,8-tetramethyl-2-(4,8,12-trimethyltridecyl)-', 'DL-alpha-Tocopherol (Vitamin E)', '.alpha.-Tocopherol', 'all-rac-alpha-Tocopherol (Vitamin E)', 'd-.alpha.-Tocopherol', '6-Chromanol, 2,5,7,8-tetramethyl-2-(4,8,12-trimethyltridecyl)-', '3,4-Dihydro-2,5,7,8-tetramethyl-2-(4,8,12-trimethyltridecyl)-2H-1-benzopyran-6-ol', 'Evitaminum', 'Profecundin', 'Syntopherol', 'Waynecomycin', 'Almefrol', 'Emipherol', 'Epsilan', 'Etamican', 'Tokopharm', 'Vascuals', 'Vitayonon', 'Etavit', 'Ilitia', 'Evion', 'alpha Tocopherol', 'Vitaplex E', '1406-18-4', 'Eprolin S', 'Spavit E', 'ido-E', 'Endo E', 'Vita E', 'Lan-E', 'Med-E', 'Antisterility vitamin', 'DL-Tocopherol', 'RRR-alpha-tocopherol', 'Vi-E', '2,5,7,8-tetramethyl-2-(4,8,12-trimethyltridecyl)-3,4-dihydro-2H-chromen-6-ol', 'Tocopheroxyl radical', '(+/-)-alpha-Tocopherol', ""2,5,7,8-Tetramethyl-2-(4',8',12'-trimethyltridecyl)-6-chromanol"", '3,4-Dihydro-2,5,7,8-tetramethyl-2-(4,8,12-trimethyltridecyl)-2H-benzopyran-6-ol', '(+-)-alpha-Tocopherol', 'SR-05000001813', '5,6 Trans-Calcipotriol', 'UNII-7QWA1RIO01', '2,5,7,8-Tetramethyl-2-(4,8,12-trimethyltridecyl)-6-chromanol', 'CCRIS 5853', 'MFCD00072045', 'NSC-20812', '.alpha.-Tokoferol', '.alpha. Tocopherol', 'EINECS 233-466-0', '5,8-Trimethyltocol', 'Tocopherol (JP17)', 'BRN 0094012', 'Spectrum_001195', 'DL- alpha -Tocopherol', '2,5,7,8-tetramethyl-2-(4,8,12-trimethyltridecyl)chroman-6-ol', 'DL-all-rac-A-Tocopherol', 'Spectrum2_000722', 'Spectrum3_001338', 'Spectrum4_001771', 'Spectrum5_000381', '.Alpha.-tocopherol, DL-', 'EC 233-466-0', 'RONOTEC DF 120', 'IRGANOX E 210', 'UVINUL 2000AO', 'TOCOPHEROL, DL-ALPHA', 'SCHEMBL22303', 'BSPBio_003095', 'KBioGR_002282', 'KBioSS_001675', 'SPECTRUM310039', '(all-R)-.alpha.-Tocopherol', '5-17-04-00168 (Beilstein Handbook Reference)', 'DivK1c_000533', 'INS NO.307C', 'SPBio_000644', 'RAC-.ALPHA.-TOCOPHEROL', 'alpha-Tocopherol, >=95.5%', 'INS-307C', 'DTXSID8021355', 'SCHEMBL14315133', '(.+-.)-Med-E', '(.+/-.)-.alpha.-Tocopherol', 'CHEBI:93909', 'HMS501K15', 'HSDB 8261', 'KBio1_000533', 'KBio2_001675', 'KBio2_004243', 'KBio2_006811', 'KBio3_002315', ""(2R,4'R,8'S)--Tocopherol"", ""(2R,8'R)-.alpha.-Tocopherol"", 'NINDS_000533', 'HMS1923I03', 'HMS2091C11', 'Pharmakon1600-00310039', ""(2R,4'S,8'R)-|A-Tocopherol"", ""(2R,4'S,8'S)-|A-Tocopherol"", ""(2S,4'R,8'R)-|A-Tocopherol"", ""(2S,4'R,8'S)-|A-Tocopherol"", ""(2S,4'S,8'R)-|A-Tocopherol"", ""(2S,4'S,8'S)-|A-Tocopherol"", 'C29H50O2 (DL-alpha-tocopherol)', 'DL-ALPHA-TOCOPHEROL(307C)', 'NSC20812', 'NSC82623', 'TOCOPHEROL,DL-ALPHA [VANDF]', 'DL-.ALPHA.-TOCOPHEROL [MI]', 'DL-ALPHA TOCOPHEROL [MART.]', 'BBL027614', 'BDBM50436220', 'CCG-40162', 'E-307C', 'MFCD00072051', 'NSC-82623', 'NSC755839', 's6104', 'STL372809', 'DL-ALPHA TOCOPHEROL [WHO-DD]', 'AKOS015960364', 'ALL-RAC-ALPHA-TOCOPHEROL [FCC]', 'DB14476', 'HY-W020044', 'NSC-755839', 'SDCCGMLS-0066634.P001', '.ALPHA.-TOCOPHEROL, DL- [II]', 'IDI1_000533', 'NCGC00095254-01', 'NCGC00095254-02', 'NCGC00095254-03', 'NCGC00095254-05', 'NCGC00095254-06', 'AC-10544', 'J24.789H', 'SY012869', 'SY057064', 'VS-08569', 'SBI-0051261.P003', '(+/-)-alpha-Tocopherol, analytical standard', 'CS-0031997', 'FT-0600386', 'FT-0624406', 'FT-0625430', 'FT-0696605', 'T0251', 'EN300-20897', 'D02332', 'D70247', 'AB00051898_02', 'SR-05000001813-1', 'SR-05000001813-2', '(+/-)-alpha-Tocopherol, synthetic, >=96% (HPLC)', '(+/-)-alpha-Tocopherol, tested according to Ph.Eur.', 'BRD-A82892199-001-01-7', 'Q27165663', '(+/-)-alpha-Tocopherol, SAJ special grade, >=96.0%', 'F0001-2420', '7A4513C3-131C-41D4-B6A0-7ED994AC2947', 'alpha-Tocopherol, British Pharmacopoeia (BP) Reference Standard', 'DL-alpha-Tocopherol (Vitamin E) 10 microg/mL in Acetonitrile', '2,5,7,8-Tetramethyl-2-(4,8,12-trimethyltridecyl)-6-chromanol #', 'alpha-Tocopherol, European Pharmacopoeia (EP) Reference Standard', 'Alpha Tocopherol, United States Pharmacopeia (USP) Reference Standard', 'Alpha Tocopherol, Pharmaceutical Secondary Standard; Certified Reference Material', '16826-11-2', '2H-1-Benzopyran-6-ol, 3,4-dihydro-2,5,7,8-tetramethyl-2-(4,8,12-trimethyltridecyl)-, radical ion(1+), (2R-(2R*(4R*,8R*)))-', '2H-1-Benzopyran-6-ol,4-dihydro-2,5,7,8-tetramethyl-2-(4,8,12-trimethyltridecyl)-, [2R*(4R*,8R*)]-(.+-.)-', '2H-1-Benzopyran-6-ol,4-dihydro-2,5,7,8-tetramethyl-2-(4,8,12-trimethyltridecyl)-, [2R-[2R*(4R*,8R*)]]-']",GNPS|suspectlist,1.0,2.0,Lipids and lipid-like molecules,Prenol lipids,Quinone and hydroquinone lipids,ClassyFire,CC1=C(C2=C(CC[C@@](O2)(C)CCC[C@H](C)CCC[C@H](C)CCCC(C)C)C(=C1O)C)C
1115,1115,1115,file_20M365R134ID61,365.105041503906,134.257827,134.152781454545,27471080.38525,30,pos,128.685798,139.61922,./DS_201124_SC_full_PRM_pos_10.mzML,C12H22O11,OC[C@H]1O[C@@H](O[C@H]2[C@H](O)[C@@H](O)[C@@H](O)O[C@@H]2CO)[C@H](O)[C@@H](O)[C@H]1O,alpha-Lactose,,84571,"(2R,3R,4S,5R,6S)-2-(hydroxymethyl)-6-[(2R,3S,4R,5R,6S)-4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxyoxane-3,4,5-triol","['alpha-lactose', '14641-93-1', 'a-Lactose', 'alpha-D-lactose', '4-O-beta-D-Galactopyranosyl-alpha-D-glucopyranose', 'Anhydrous lactose', 'MJF4JAT10B', 'Aletobiose', 'alpha-D-Glucopyranose, 4-O-beta-D-galactopyranosyl-', 'Lactobiose', '(2R,3R,4S,5R,6S)-2-(hydroxymethyl)-6-[(2R,3S,4R,5R,6S)-4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxyoxane-3,4,5-triol', 'Galactinum', 'Osmolactan', 'Tablettose', '(2S,3R,4R,5S,6R)-6-(Hydroxymethyl)-5-(((2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)tetrahydro-2H-pyran-2,3,4-triol', '1-beta-D-Galactopyranosyl-4-alpha-D-glucopyranose', 'Lactin', 'beta-D-galactopyranosyl-(1->4)-alpha-D-glucopyranose', 'Saccharum lactin', 'Super-Tab', 'Zeparox EP', 'Fast-flo Lactose', 'Lactose Fast-flo', 'Pharmatose 21', 'Tablettose 70', 'Tablettose 80', 'Dilactose', 'Pharmatose 325M', 'Sorbalac 400', 'Flowlac 100', 'Pharmatosa DCL 21', 'Lactin (carbohydrate)', '.alpha.-D-Glucopyranose, 4-O-.beta.-D-galactopyranosyl-', '(2R,3R,4S,5R,6S)-2-(hydroxymethyl)-6-{[(2R,3S,4R,5R,6S)-4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy}oxane-3,4,5-triol', 'LBT', 'NSC-760401', '(2R,3R,4S,5R,6S)-2-(hydroxymethyl)-6-[(2R,3S,4R,5R,6S)-4,5,6-trihydroxy-2-(hydroxymethyl)tetrahydropyran-3-yl]oxy-tetrahydropyran-3,4,5-triol', 'UNII-MJF4JAT10B', 'Prismalac', 'Sachelac', 'Spherolac', 'alpha lactose', 'GLC-(4-1)GAL', 'Lactose anhydride', '4ouj', 'Lactohale 300', 'EINECS 238-691-8', 'Granulac 140M', 'Sorbolac 400', '4-O-beta-D-galactopyranosyl-D-glucopyranose', 'Pharmatose DCL 15', 'Respitose ML 003', 'Respitose SV 003', 'alpha-4-(beta-D-Galactosido)-D-glucose', '2y9g', '3ap4', '3i8t', '4-O-Hexopyranosylhexose', '.ALPHA.-LACTOSE', 'hygroscopic alpha-lactose', 'bmse000065', 'bmse000813', 'bmse000938', 'CHEBI:36219', 'DTXSID50873004', 'Pharmakon1600-01301020', 'HY-N2514', 'ZINC4095793', 'beta-D-Gal-(1->4)-alpha-D-Glc', '4-O-A-D-Galactopyranosyl-D-glucose', 'MFCD00151251', 'MFCD00191455', 'NSC760401', 'beta-D-Galp-(1->4)-alpha-D-Glcp', 'AKOS015900418', 'AS-66473', 'CS-0022785', 'L0008', 'EN300-1655902', 'Q27104342', '1-beta-delta-Galactopyranosyl-4-alpha-delta-glucopyranose', 'O-.BETA.-D-GALACTOPYRANOSYL-(1->4)-.ALPHA.-D-GLUCOPYRANOSE', '4-O-beta-D-Galactopyranosyl-alpha-D-glucopyranose, 98%, Dnase free and Rnase free', 'WURCS=2.0/2,2,1/[a2122h-1a_1-5][a2112h-1b_1-5]/1-2/a4-b1', '(2S,3R,4R,5S,6R)-6-(hydroxymethyl)-5-((2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yloxy)tetrahydro-2H-pyran-2,3,4-triol', '(2S,3R,4R,5S,6R)-6-(hydroxymethyl)-5-{[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxane-2,3,4-triol']",SIRIUS|GNPS|suspectlist,2.0,2.0,Organic oxygen compounds,Organooxygen compounds,Carbohydrates and carbohydrate conjugates,CANOPUS,OC[C@H]1O[C@H](O[C@@H]2[C@@H](CO)OC(O)[C@H](O)[C@H]2O)[C@H](O)[C@@H](O)[C@@H]1O
1183,1183,1183,file_17M150R96ID54,150.05827331543,95.816064,96.163218,9288894.390411,30,pos,92.041218,101.77164,./DS_201124_SC_full_PRM_pos_07.mzML,C5H11NO2S,CSCC[C@H](N)C(=O)O,Methionine,,6137,(2S)-2-amino-4-methylsulfanylbutanoic acid,"['L-methionine', '63-68-3', 'methionine', 'h-Met-oh', '(S)-2-Amino-4-(methylthio)butanoic acid', 'Cymethion', 'L-(-)-Methionine', 'S-Methionine', 'Liquimeth', 'L-Methioninum', 'Methilanin', 'Neo-methidin', '(L)-Methionine', 'Methionine (VAN)', 'Acimethin', 'Metionina [DCIT]', 'L-Methionin', '(2S)-2-amino-4-(methylsulfanyl)butanoic acid', '(S)-methionine', 'L-alpha-Amino-gamma-methylmercaptobutyric acid', 'h-Met-h', 'Methioninum [INN-Latin]', 'metionina', 'Methioninum', 'L-Homocysteine, S-methyl-', 'L(-)-Amino-gamma-methylthiobutyric acid', 'L-Met', 'L-alpha-Amino-gamma-methylthiobutyric acid', 'L-gamma-Methylthio-alpha-aminobutyric acid', 'met', 'CCRIS 5528', 'CCRIS 5536', 'METHIONINE, L-', 'HSDB 4317', '2-Amino-4-methylthiobutanoic acid (S)-', '2-Amino-4-(methylthio)butyric acid, (S)-', '(2S)-2-amino-4-methylsulfanyl-butanoic acid', 'Butanoic acid, 2-amino-4-(methylthio)-, (S)-', '(S)-2-amino-4-(methylthio)butyric acid', 'Toxin WAR (Bacillus thuringiensis strain PS205C)', '(2S)-2-Amino-4-methylsulfanylbutanoic acid', 'L-a-Amino-g-methylthiobutyric acid', 'carbon-11 methionine', 'S-Methyl-L-homocysteine', '(S)-(+)-Methionine', 'MFCD00063097', 'AE28F7PNPL', 'gamma-Methylthio-alpha-aminobutyric acid', 'CHEMBL42336', 'CHEBI:16643', 'L-2-Amino-4methylthiobutyric acid', 'NSC-22946', '1006386-95-3', '58576-49-1', 'Methionine [USAN:INN]', 'C-11 Methionine', 'l-2-Amino-4-(methylthio)butyric acid', 'EINECS 200-562-9', 'UNII-AE28F7PNPL', '(2S)-2-amino-4-(methylsulfanyl)butanoate', 'NSC 22946', 'C-11 Met', 'L-2-Amino-4-(methylthio)butanoic acid', 'L-Lobamine', '3h-l-methionine', 'g-Methylthio-a-aminobutyric acid', 'racemic methionine', '1wkm', 'D-2-Amino-4-(methylthio)butanoic acid', 'Methionine [USAN:USP:INN:BAN]', 'Toxin WAR', '(35S)Methionine', '2-Amino-4-(methylthio)butyrate', 'Methionine (USP)', 'L(-)-Methionin', 'a-Amino-g-methylmercaptobutyric acid', 'L-Methionine,(S)', '(R)-2-Amino-4-(methylmercapto)butyric acid', '1pg2', '1qq9', 'L-Methionine-[34S]', 'L-Methionine Z (TN)', 'METHIONINE [II]', 'METHIONINE [MI]', 'L-Methionine (JP17)', 'METHIONINE [INN]', 'METHIONINE [HSDB]', 'METHIONINE [INCI]', 'METHIONINE [USAN]', '(S)-2-Amino-4-(methylmercapto)butyric acid', 'Methionine (L-Methionine)', 'METHIONINE [VANDF]', 'Methionine, L- (8CI)', 'bmse000044', 'bmse000915', 'L-METHIONINE [FCC]', 'L-METHIONINE [JAN]', 'METHIONINE [MART.]', 'SCHEMBL4226', 'G-methylthio-a-aminobutyrate', 'L-Methionine (H-Met-OH)', 'METHIONINE [WHO-DD]', '2-Amino-4-methylthiobutanoate', 'L-a-amino-g-methylthiobutyrate', 'L-METHIONINE [USP-RS]', 'GTPL4814', 'A-amino-g-methylmercaptobutyrate', 'DTXSID5040548', 'SCHEMBL15702352', 'METHIONINE [EP MONOGRAPH]', 'METHIONINE [USP MONOGRAPH]', 'Pharmakon1600-01301006', 'alpha-amino-alpha-aminobutyric acid', 'gamma-methylthio-alpha-aminobutyrate', 'HY-N0326', 'ZINC1532529', 'L-2-Amino-4-methylthiobutyric acid', 'BDBM50142500', 'MFCD00801344', 'NSC760117', 's5633', 'L-alpha-amino-gamma-methylthiobutyrate', 'L-Methionine, Vetec(TM), 98.5%', '(S)-2-Amino-4-(methylthio)butanoate', 'AKOS000281626', 'AKOS015852512', 'L-Methionine, labeled with carbon-11', 'alpha-amino-gamma-methylmercaptobutyrate', 'CCG-266196', 'CS-W020566', 'DB00134', 'NSC-760117', '(S)-2-amino-4-(methylthio)-Butanoate', 'LEUCINE IMPURITY B [EP IMPURITY]', 'NCGC00160620-01', 'NCGC00160620-02', 'AS-10898', '(S)-2-amino-4-(methylthio)-Butanoic acid', 'DB-029971', 'L-Methionine, BioUltra, >=99.5% (NT)', 'A5456', 'AM20100552', 'M0099', 'EN300-52631', 'L-Methionine, SAJ special grade, >=98.5%', '63M683', 'C00073', 'D00019', 'D70895', 'L(-)-amino-alpha-amino-alpha-aminobutyric acid', 'L-Methionine, reagent grade, >=98% (HPLC)', 'M-3100', 'M02939', 'M02945', 'L-Methionine, Vetec(TM) reagent grade, >=98%', 'A934626', 'L-Methionine, Cell Culture Reagent (H-L-Met-OH)', 'C6CB5837-2B49-4B25-AAB0-D305DAFE26EB', 'Q22124685', 'F1905-8241', 'Z756440050', 'L-Methionine, certified reference material, TraceCERT(R)', 'Methionine, European Pharmacopoeia (EP) Reference Standard', 'N-(2CT Resin)-L-Met-OH (200-400 mesh, > 0.3 mmol/g)', 'L-Methionine, United States Pharmacopeia (USP) Reference Standard', 'L-Methionine, Pharmaceutical Secondary Standard; Certified Reference Material', 'Soft tissue sarcoma-associated protein (human clone WO2004048938-SEQID-1139)', 'L-Methionine, from non-animal source, meets EP, JP, USP testing specifications, suitable for cell culture, 99.0-101.0%']",nan|suspectlist,3.0,2.0,Organic acids and derivatives,Carboxylic acids and derivatives,"Amino acids, peptides, and analogues",CANOPUS,CSCC[C@@H](C(=O)O)N
1259,1259,1259,file_19M130R105ID56,130.086227416992,105.132138,104.800310571429,6597225.84314,30,pos,98.735052,110.511102,./DS_201124_SC_full_PRM_pos_09.mzML,C6H11NO2,C1CCNC(C1)C(=O)O,Pipecolic acid,,849,piperidine-2-carboxylic acid,"['piperidine-2-carboxylic acid', 'DL-Pipecolinic acid', 'Pipecolic acid', '535-75-1', 'Pipecolinic acid', '2-PIPERIDINECARBOXYLIC ACID', '4043-87-2', 'Homoproline', 'DL-Pipecolic acid', 'Dihydrobaikiane', 'pipecolate', 'Piperolinic acid', 'Hexahydropicolinic acid', 'l(-)-pipecolinic acid', 'L-PipecolicAcid', 'DL-Homoproline', 'Acide pipecolique', 'dl-piperidine-2-carboxylic acid', '2-Carboxypiperidine', '(+/-)-Pipecolic acid', 'h-dl-homopro-oh', 'h-dl-hopro-oh', 'Hexahydro-2-picolinic acid', '(+/-)-2-Piperidinecarboxylic Acid', 'MFCD00064347', '2-Pipecolinic acid', '(R)-(+)-2-Piperidinecarboxylic acid', 'Pipecolic acid, L-', 'Acide piperidine-carboxylique-2', '.alpha.-Pipecolinic acid', '(+/-)-Pipecolinic acid', 'H254GW7PVV', 'dl-2-piperidinecarboxylic acid', 'Pipecolic acid, (S)-(-)-', 'CHEBI:17964', 'rac piperidine-2-carboxylic acid', '2-Piperidinecarboxylic acid, (S)-', '(+/-)-Piperidine-2-carboxylic acid', 'NSC-17125', '83680-83-5', 'DL-Pipecolate', 'MFCD00005981', 'DL-PipecolicAcid', 'Acide pipecolique [French]', '2-piperidinic acid', 'Pipecolic acid, L-(-)-', 'EINECS 208-616-3', 'EINECS 223-737-1', 'NSC 17125', '(D)-(+)-Pipercolicacid', 'UNII-H254GW7PVV', 'Pipecolinate', 'Pipecolinicacid', 'Piperolinate', 'Acide piperidine-carboxylique-2 [French]', 'a-Pipecolinate', 'DL-Pipecolinate', 'MFCD00064346', 'NSC-93089', 'alpha-Pipecolinate', 'Hexahydropicolinate', 'a-Pipecolinic acid', 'dl-pipercolinic acid', '(+/-)-Pipecolate', 'DL -Pipecolinic acid', 'alpha-Pipecolinic acid', '(+/-)-Pipecolinate', 'Hexahydro-2-picolinate', 'Pipecolic acid free base', '(+/-) pipecolic acid', 'Pipecolinic acid, 98%', 'DL-2-Piperidinecarboxylate', '2-Piperidinylcarboxylic acid', '2-piperidine carboxylic acid', '2-piperidine-carboxylic acid', 'NCIOpen2_001582', 'PIPECOLIC ACID [MI]', 'piperidine-6-carboxylic acid', 'SCHEMBL22016', '(RS)-2-Piperidinecarboxylate', '2-Piperidinecarboxylic acid #', 'CHEMBL308408', '(+/-)-2-Piperidinecarboxylate', 'HXEACLLIILLPRG-UHFFFAOYSA-', '( inverted exclamation markA)-Piperidine-2-carboxylic acid', '()-Piperidine-2-carboxylic acid', 'DL-Pipecolic acid;H-DL-Pip-OH', 'DTXSID40862144', '(RS)-2-Piperidinecarboxylic acid', 'ACT04791', 'ACT09684', 'CS-B1313', 'HY-Y0669', 'NSC17125', 'NSC93089', 'PIPECOLIC ACID DL-FORM [MI]', 'AC-691', 's6322', 'STL183326', 'AKOS000120345', 'AKOS016050399', '(.+/-.)-2-Piperidinecarboxylic acid', 'AB00554', 'AC-2835', 'AM90343', 'PS-5851', '2-Piperidinecarboxylic acid, (.+/-.)-', 'SY002975', 'SY003075', 'SY003076', 'DB-038159', 'A7793', 'FT-0601107', 'FT-0601108', 'FT-0613361', 'FT-0625508', 'FT-0650084', 'FT-0673913', 'P0442', 'EN300-20680', 'A23910', 'Q7197255', 'W-106353', 'W-111701', 'F2191-0193', 'Z104479780']",SIRIUS|suspectlist,1.0,3.0,Organic acids and derivatives,Carboxylic acids and derivatives,"Amino acids, peptides, and analogues",CANOPUS,C1CCNC(C1)C(=O)O
1329,1329,1329,file_18M221R84ID52,221.092086791992,83.731548,83.78845,1812692.549866,30,pos,78.70626,89.203692,./DS_201124_SC_full_PRM_pos_08.mzML,C11H12N2O3,C1=CC2=C(C=C1O)C(=CN2)CC(C(=O)O)N,5-Hydroxytryptophan,,144,2-amino-3-(5-hydroxy-1H-indol-3-yl)propanoic acid,"['5-hydroxytryptophan', '56-69-9', 'DL-5-Hydroxytryptophan', '5-Hydroxy-DL-tryptophan', '2-amino-3-(5-hydroxy-1H-indol-3-yl)propanoic acid', '114-03-4', '(+-)-5-Hydroxytryptophan', 'DL-Hydroxytryptophan', 'DL-5-HTP', '5-HTP', '5-Hydroxytryptophan DL-form', 'D,L-5-hydroxytryptophan', 'NSC-92523', '(+/-)-5-Hydroxytryptophan', '5-hydroxytryptophan (5-HTP)', 'CHEBI:28171', '9181P3OI6N', 'MFCD00005651', 'DL-Pretonine', '72572-98-6', 'Dl-oxitriptan', 'H-DL-Trp(5-OH)-OH', '5-hydroxy tryptophan', 'USAF CB-96', '5-hydroxytryptophan, dl-', '5-Hydroxytryptophan L form', 'HSDB 4295', 'dl-5-Hydroxytryptophane', 'NCI-C56644', 'Tryptophan, 5-hydroxy-, dl', '5-22-14-00278 (Beilstein Handbook Reference)', 'EINECS 200-284-8', 'Tryptophan, 5-hydroxy-, L-', 'NSC 92523', 'BRN 0088199', 'DL-Tryptophan, 5-hydroxy-', 'UNII-9181P3OI6N', 'MFCD00064341', '5-hydroxyltryptophan', '5-Hydroxytryptophan #', 'H-L-Trp(5-OH)-OH', '5-hydroxytryptophan(5-HTP)', 'SCHEMBL43242', 'MLS006011926', '2-Amino-3-(5-hydroxy-1H-indol-3-yl)propanoicacid', '(.+-.)-5-Hydroxytryptophan', 'CHEMBL162789', '5-Hydroxytryptophan, AldrichCPR', 'SCHEMBL19871232', '5-HYDROXYTRYPTOPHAN [MI]', 'DTXSID50859863', 'HMS3372G05', 'HMS3656M11', 'HMS3884H15', 'WLN: T56 BMJ D1YZVQ GQ', '5-HYDROXYTRYPTOPHAN [HSDB]', 'HY-N0122', 'NSC92523', 'BBL012270', 's2374', 'STK803137', 'AKOS003382640', 'AKOS016050369', 'CCG-235444', 'NCGC00015526-02', 'NCGC00015526-04', 'AC-13632', 'AC-23979', 'SMR000326745', 'SY030569', 'SY048412', 'VS-03256', 'DB-051092', 'A2320', 'CS-0007832', 'FT-0620484', 'FT-0620490', 'FT-0620491', 'FT-0620498', 'FT-0627633', 'SW219417-1', '56H699', 'C01017', 'DL-2-Amino-3-(5-hydroxyindolyl)propionic acid', 'EN300-244707', 'H-8280', 'N88462', 'SR-01000003309', 'Q-102914', 'SR-01000003309-1', 'Q27103541']",SIRIUS|suspectlist,1.0,3.0,Organic acids and derivatives,Carboxylic acids and derivatives,"Amino acids, peptides, and analogues",CANOPUS,C1=CC2=C(C=C1O)C(=CN2)C[C@@H](C(=O)O)N
1337,1337,1337,file_18M130R129ID60,130.086196899414,129.334314,129.203545565217,29047681.84186,30,pos,123.374844,134.68815,./DS_201124_SC_full_PRM_pos_08.mzML,C6H11NO2,O=C(O)[C@@H]1CCCCN1,l-Pipecolic acid,,439227,(2S)-piperidine-2-carboxylic acid,"['l-Pipecolic acid', '3105-95-1', '(S)-Piperidine-2-carboxylic acid', 'L-Homoproline', 'L-Pipecolinic acid', 'h-hopro-oh', 'L-pipecolate', '(2S)-piperidine-2-carboxylic acid', 'l(-)-pipecolinic acid', 'L-(-)-Pipecolinic acid', '(l)-pipecolic acid', '(S)-pipecolic acid', '2-Piperidinecarboxylic acid, (2S)-', 'L-(-)-pipecolic acid', 'Pipecolic acid, (-)-', '(-)-Pipecolic acid', 'l-piperidine-2-carboxylic acid', '(S)-(-)-2-Piperidinecarboxylic acid', 'h-homopro-oh', '(S)-(-)-pipecolic acid', '(S)-Pipecolinic acid', 'EINECS 221-462-1', 'CHEBI:30913', '69374CKB33', '(S)-pipecolate', 'Pipecolic acid, L-(-)-', '83680-83-5', '(S)-2-Piperidinecarboxylic acid', '(-)-l-pipecolinic acid', '(-)-(S)-pipecolic acid', 'l-homopro', 'L-Pipecolinate', 'MFCD00005981', 'NSC-93089', 'UNII-69374CKB33', '(S)-Pipecolinate', '(-)-Pipecolate', 'YCP', 'NSC 93089', 'L-(-)-Pipecolate', '(S)-(-)-Pipecolate', 's-(-)-pipecolinic acid', 'bmse000237', 'L-Piperidine-2-carboxylate', '(S)-2-Piperidinecarboxylate', 'SCHEMBL40185', '(-)-PIPECOLINIC ACID', '(2s)-(-)-pipecolinic acid', '(S)-piperidine-2-carboxylate', 's-piperidine-2-carboxylic acid', '2(S)-Piperidinecarboxylic acid', 'CHEMBL322883', 'S)-2-Piperidinecarboxylic acid', '(S)-Piperidine-2-carboxylicacid', 'DTXSID401035840', 'ZINC157015', '(S)-(-)-2-Piperidinecarboxylate', '(S)-Piperidine-2-carboxylic acid;', 'ACT07825', 'PIPECOLIC ACID L-FORM [MI]', '(S)(-)-2-piperidinecarboxylic acid', 'L-Pipecolic acid, 99% (titration)', 's6302', 'AKOS005258385', 'CS-W013450', 'HY-W012734', 'Piperidine-2-carboxylic acid;H-HoPro-OH', 'AM803674', 'DS-13286', 'L-Pipecolic acid, Proline homolog., 99%', 'A5640', 'P1404', 'EN300-66085', 'C00408', 'L-Pipecolic acid, puriss., >=99.0% (NT)', '105P951', 'Q-103016', 'Q27104171', '7C6A2DED-5E15-4DFB-BF48-F9D231169779', 'Z1033300646']",SIRIUS|MassBank|GNPS|suspectlist,3.0,2.0,Organic acids and derivatives,Carboxylic acids and derivatives,"Amino acids, peptides, and analogues",CANOPUS,C1CCNC(C1)C(=O)O
1345,1345,1345,file_18M203R348ID68,203.150207519531,347.537724,347.534402086957,24712270.71979,30,pos,341.80377,353.269188,./DS_201124_SC_full_PRM_pos_08.mzML,C8H18N4O2,CN(C)C(=NCCCC(C(=O)O)N)N,n-dimethylarginine,Found in S. marinoi,501,2-amino-5-[[amino(dimethylamino)methylidene]amino]pentanoic acid,"['n-dimethylarginine', '2-amino-5-(amino-dimethylamino-methylidene)amino-pentanoic acid', 'L-Ornithine, N5-[(dimethylamino)iminomethyl]-', 'SCHEMBL12028770', 'DTXSID60860788', 'CHEBI:181449', ""N(G),N(G')-Dimethyl-L-arginine"", '2-amino-5-[[amino(dimethylamino)methylidene]amino]pentanoic acid', 'NG,NG inverted exclamation mark -Dimethy-L-arginine Di(p-hydroxyazobenzene-p inverted exclamation mark -sulfonate) Salt', 'FT-0667316', ""2-Amino-5-(N',N'-dimethylcarbamimidamido)pentanoic  acid""]",SIRIUS|MassBank|GNPS|suspectlist,3.0,2.0,Organic acids and derivatives,Carboxylic acids and derivatives,"Amino acids, peptides, and analogues",CANOPUS,CN(C)C(=NCCC[C@@H](C(=O)O)N)N
1457,1457,1457,file_16M739R45ID31,739.438903808594,44.943222,44.943222,17840348.70264,30,pos,44.943222,44.943222,./DS_201124_SC_full_PRM_pos_06.mzML,C36H66O15,CCCCCCCCCCC(=O)OC(COC1C(C(C(C(O1)COC2C(C(C(C(O2)CO)O)O)O)O)O)O)COC(=O)CCCCCCCCC,,,132996076,"[1-decanoyloxy-3-[3,4,5-trihydroxy-6-[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxypropan-2-yl] undecanoate",[],SIRIUS|suspectlist,1.0,3.0,Lipids and lipid-like molecules,Glycerolipids,Glycosylglycerols,CANOPUS,CCCCCCCCCCCCCCCCCC(=O)OC[C@H](CO[C@H]1[C@@H]([C@H]([C@@H](C(O1)CO[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)O)O)O)OC(=O)CCCCCCCCCCCCCCCCC
1485,1485,1485,file_16M118R116ID59,118.085983276367,116.076174,116.898214714286,57222878.88477,30,pos,112.686888,122.835564,./DS_201124_SC_full_PRM_pos_06.mzML,C5H11NO2,CC(C)C(C(=O)O)N,DL-Valine,,1182,2-amino-3-methylbutanoic acid,"['DL-Valine', '516-06-3', '2-Amino-3-methylbutanoic acid', 'H-DL-Val-OH', 'Valine, DL-', '2-aminoisovaleric acid', 'FEMA No. 3444', 'NSC 9755', 'MFCD00004267', '2-Amino-3-methylbutanoic acid, DL-', '25609-85-2', 'valina', 'DL-.alpha.-Aminoisovaleric acid', 'CHEBI:27266', '4CA13A832H', 'NSC-9755', 'NSC76038', 'valin', 'L-Valine-13C5,15N', 'DL-2-Amino-3-methylbutanoic acid', '2-Aminoisovaleric acid, DL-', 'laevo-valine', 'Hval', 'UNII-4CA13A832H', 'CCRIS 8604', 'L-(+)-.alpha.-Aminoisovaleric acid', 'MFCD00064219', 'MFCD00064220', 'NSC-20654', 'alpha-Aminoisovaleric acid, DL-', '(dl)-valine', 'dextro,laevo-valine', '1116448-82-8', '(RS)-valine', 'EINECS 208-220-0', '2-Amino-3-methylbutyric acid, DL-', 'DL-Val', 'D-Valine-[d8]', 'D,L-VALINE', 'AI3-18308', 'DL-2-Aminoisovaleric Acid', 'DL-Valine, >=97%', 'SCHEMBL8515', 'VALINE, (L)', 'D,L-VALINE [FHFI]', 'Val-376', 'WLN: QVYZY1&1', 'DL-Valine-[2,3-d2]', '2-Amino-3-methylbutanoicacid', 'CHEMBL11257', 'WLN: QVYZY1&1 -D', 'WLN: QVYZY1&1 -L', '(+/-)-a-Aminoisovaleric acid', '(+/-)-VALINE', 'DTXSID70859522', 'NSC9755', 'DL-Valine, >=97% (TLC)', '202407-30-5', 'BCP30283', 'NSC20654', 'LMFA01100046', 'NSC125673', 'NSC125674', 'STL194272', 'AKOS000118926', 'AKOS016050509', 'AB02568', 'AB02570', 'AM82364', 'CS-W013605', 'HY-W012889', 'NSC-125673', 'NSC-125674', '(+/-)-2-AMINOISOVALERIC ACID', 'NCGC00159470-03', 'AC-24062', 'AS-11670', 'SY002589', 'SY002593', '2-Amino-3-methylbutanoic acid (DL-valine)', 'DL-Valine, Vetec(TM) reagent grade, 99%', 'FT-0625531', 'FT-0625632', 'FT-0628054', 'FT-0675760', 'FT-0698111', 'V0013', '(+/-)-2-AMINO-3-METHYLBUTYRIC ACID', 'EN300-17973', '5-Methylisoxazole-3-carboxylic acid ethyl ester', 'DL-Valine, ReagentPlus(R), >=99.0% (NT)', '516V063', 'SR-01000944852', 'Q-100577', 'SR-01000944852-1', 'Q27109943', 'Z57127382', 'F2191-0220', 'Valine; NSC 76038; NSC-76038; NSC76038; Valina', '8D785241-1AC3-4C14-8D43-308A8EA5169C']",SIRIUS|GNPS|suspectlist,2.0,2.0,Organic acids and derivatives,Carboxylic acids and derivatives,"Amino acids, peptides, and analogues",CANOPUS,CC(C)[C@@H](C(=O)O)N
1489,1489,1489,file_16M130R198ID63,130.049896240234,197.940324,197.78405088,24364859.35019,30,pos,191.726988,203.477142,./DS_201124_SC_full_PRM_pos_06.mzML,C5H9NO4,C(CC(=O)O)[C@@H](C(=O)O)N,L-Glutamic Acid,,33032,(2S)-2-aminopentanedioic acid,"['L-glutamic acid', 'GLUTAMIC ACID', '56-86-0', '(2S)-2-Aminopentanedioic acid', 'L-glutamate', '(S)-2-Aminopentanedioic acid', 'Glutamidex', 'Glutaminol', 'H-Glu-OH', 'glutacid', 'Glutaton', 'Aciglut', 'L-Glutaminic acid', 'Glutamicol', 'Glusate', '(S)-Glutamic acid', 'L-glu', 'D-Glutamiensuur', 'L-(+)-glutamic acid', 'Acidum glutamicum', 'glutaminic acid', 'alpha-aminoglutaric acid', 'Glutamic acid, L-', '(S)-(+)-Glutamic acid', 'Acido glutamico', 'Acide glutamique', 'FEMA No. 3285', 'glut', 'glutamate', 'L-alpha-Aminoglutaric acid', 'alpha-Glutamic acid', 'glu', 'Pentanedioic acid, 2-amino-, (S)-', '2-Aminoglutaric acid', 'CCRIS 7314', 'Glutamic Acid (L-glutamic acid)', '1-Aminopropane-1,3-dicarboxylic acid', 'L-2-Aminoglutaric acid', 'Acidum glutaminicum', 'AI3-18472', '25513-46-6', 'EPA Pesticide Chemical Code 374350', 'NSC 143503', 'Glutamic acid (VAN)', 'Glutamic acid (H-3)', 'Glutaminic acid (VAN)', 'Gamma-L-Glutamic Acid', 'Glutamate, L-', 'Glutamic Acid [USAN:INN]', 'L(+)-Glutamic acid', 'L-2-amino-pentanedioic acid', 'Acide glutamique [INN-French]', 'Acido glutamico [INN-Spanish]', 'Acidum glutamicum [INN-Latin]', 'Glutamic acid, (S)-', 'alpha-Aminoglutaric acid (VAN)', '3KX376GY7L', 'INS NO.620', 'E 620', 'CHEBI:16015', 'INS-620', 'C5H9NO4', 'NSC-143503', '2-Aminopentanedioic acid, (S)-', 'NCGC00024502-03', 'E620', 'a-Glutamic acid', 'E-620', '55443-55-5', 'a-Aminoglutaric acid', 'L-a-Aminoglutaric acid', '(2S)-2-aminopentanedioate', 'L-Glutaminsaeure', 'L-Acido glutamico', '.alpha.-Glutamic acid', 'glt', 'L(+)-Monosodium glutamate monohydrate', '1-amino-propane-1,3-dicarboxylic acid', 'GLUTAMIC ACID [USAN]', '6106-04-3', 'EINECS 200-293-7', 'L-Glutamic acid (9CI)', 'MFCD00002634', 'aminoglutarate', 'UNII-3KX376GY7L', 'alpha-Glutamate', 'a-Glutamate', 'L-gluatmate', 'a-Aminoglutarate', 'L-glutamic-acid', 'L-Glutamic adid', '2-Aminoglutarate', 'aminoglutaric acid', '1ftj', '1xff', '(S)-glutamate', 'L-a-Aminoglutarate', 'alpha-Aminoglutarate', '(L)-glutamic acid', 'H-Glu', 'L-Glutamic,(S)', 'L-(+)-Glutamate', 'L-alpha-Aminoglutarate', 'Glutamic acid (USP)', 'Tocris-0218', '[3h]-l-glutamic acid', '1ii5', '(+)-L-Glutamic acid', '(S)-(+)-Glutamate', '(S)-Glu', 'DSSTox_CID_659', 'GGL', 'L-[14C(U)]glutamate', '(S)-2-Aminopentanedioate', 'Biomol-NT_000170', 'EC 200-293-7', 'GLUTAMIC ACID [MI]', 'L-Glutamic acid (JP17)', 'SCHEMBL2202', 'DSSTox_RID_75716', 'GLUTAMIC ACID [INN]', 'L-Glutamic acid-[13C5]', 'DSSTox_GSID_20659', 'L-Glutamic acid, 98.5%', 'Lopac0_000529', 'S)-2-Aminopentanedioic acid', 'GLUTAMIC ACID [INCI]', 'GLUTAMIC ACID [VANDF]', 'L-GLUTAMIC ACID [FCC]', 'L-GLUTAMIC ACID [JAN]', 'BPBio1_001132', 'CHEMBL575060', 'GTPL1369', 'HSDB 490', 'GLUTAMIC ACID [USP-RS]', 'GLUTAMIC ACID [WHO-DD]', 'L-GLUTAMIC ACID [FHFI]', 'L-Glutamic acid, 99%, FCC', 'DTXSID5020659', 'BDBM17657', 'CHEBI:53374', '1-Aminopropane-1,3-dicarboxylate', 'Glutamic acid, L- (7CI,8CI)', 'L (+)-glutamic acid, alpha-form', '1-amino-propane-1,3-dicarboxylate', '6899-05-4', 'L-Glutamic acid, non-animal source', 'ZINC1482113', 'Tox21_113053', 'GLUTAMIC ACID [EP MONOGRAPH]', 'HB0383', 'HSCI1_000269', 'PDSP1_000128', 'PDSP1_001539', 'PDSP2_000127', 'PDSP2_001523', 's6266', 'AKOS006238837', 'AKOS015854087', 'AM81690', 'CCG-204619', 'DB00142', 'SDCCGSBI-0050512.P002', 'CAS-56-86-0', 'ALANINE IMPURITY B [EP IMPURITY]', 'NCGC00024502-01', 'NCGC00024502-02', 'NCGC00024502-04', 'NCGC00024502-07', '(2S)-2-aminopentanedioic acid;H-Glu-OH', 'AC-11294', 'DS-13284', 'HY-14608', '(S)-1-Aminopropane-1,3-dicarboxylic acid', '(S)-1-Aminopropane-1,3-dicarboxylic  acid', '(S)-2-AMINO-1,5-PENTANEDIOIC ACID', 'CS-0003473', 'G0059', 'EN300-52632', 'L-Glutamic acid, BioUltra, >=99.5% (NT)', 'L-Glutamic acid, tested according to Ph.Eur.', 'C00025', 'D00007', 'L-Glutamic acid, NIST(R)RM 8573, USGS40', 'LYSINE ACETATE IMPURITY B [EP IMPURITY]', 'M02979', 'M03872', 'L-Glutamic acid, JIS special grade, >=99.0%', 'L-Glutamic acid, NIST(R) RM 8574, USGS41', '002G634', 'A831210', 'SR-01000597730', 'J-502415', 'L-Glutamic acid, ReagentPlus(R), >=99% (HPLC)', 'L-Glutamic acid, Vetec(TM) reagent grade, >=99%', 'SR-01000597730-1', 'L-Glutamic acid, >=99%, FCC, natural sourced, FG', 'Q26995161', 'F8889-8668', 'Z756440052', '27322E29-9696-49C1-B541-86BEF72DE2F3', 'Glutamic acid, European Pharmacopoeia (EP) Reference Standard', 'L-Glutamic acid, certified reference material, TraceCERT(R)', 'Glutamic acid, United States Pharmacopeia (USP) Reference Standard', 'L-Glutamic acid, from non-animal source, meets EP testing specifications, suitable for cell culture, 98.5-100.5%']",MassBank|GNPS|suspectlist,2.0,2.0,Organic acids and derivatives,Carboxylic acids and derivatives,"Amino acids, peptides, and analogues",ClassyFire,C(CC(=O)O)[C@@H](C(=O)O)N
1519,1519,1519,file_7M227R44ID18,227.201721191406,43.8859896,43.8859896,350001.6142578,30,neg,38.630706,49.1412732,./DS_201124_SC_full_PRM_neg_07.mzML,C14H28O2,CCCCCCCCCCCCCC(=O)O,Myristic Acid,FA from S. Marinoi,11005.0,tetradecanoic acid,"['Tetradecanoic acid', 'MYRISTIC ACID', '544-63-8', 'n-Tetradecanoic acid', 'n-Tetradecan-1-oic acid', 'Crodacid', 'n-Tetradecoic acid', '1-Tridecanecarboxylic acid', 'Myristate', 'tetradecoic acid', 'Hydrofol acid 1495', 'Univol U 316S', 'Emery 655', 'Myristinsaeure', 'Hystrene 9014', 'FEMA No. 2764', 'Myristic acid, pure', 'n-Myristic acid', 'Myristic acid (natural)', 'Tetradecanoate', 'acide tetradecanoique', 'NSC 5028', 'CCRIS 4724', 'CH3-[CH2]12-COOH', 'HSDB 5686', 'C14:0', 'Philacid 1400', 'CHEBI:28875', 'AI3-15381', 'Prifac 2942', 'NSC-5028', '1-tetradecanecarboxylic acid', 'PHILACID-1400', 'PRIFRAC-2942', '0I3V7S25AW', 'CHEMBL111077', 'NSC5028', 'DSSTox_CID_1666', 'n-tetradecan-1-oate', 'DSSTox_RID_76274', 'DSSTox_GSID_21666', '32112-52-0', 'CAS-544-63-8', 'Myristic acid [NF]', 'EINECS 208-875-2', 'BRN 0508624', 'myristoate', 'UNII-0I3V7S25AW', 'myristoic acid', 'n-Tetradecanoate', 'Tetradecanoicacid', '3usx', 'Myristic acid pure', 'Myristic Acid Flake', 'MFCD00002744', 'Hystrene 9514', 'Edenor C 14', 'Myristic Acid 655', '1-Tridecanecarboxylate', 'MAGNESIUMARSENATE', 'Myristic acid, 95%', 'Myristic acid, natural', 'tridecanecarboxylic acid', 'Myristic acid (8CI)', 'Myristic Acid, Reagent', '3v2n', '3w9k', 'Myristic acid, puriss.', 'Tetradecanoic acid (9CI)', 'bmse000737', 'Epitope ID:176772', 'MYRISTIC ACID [II]', 'MYRISTIC ACID [MI]', 'SCHEMBL6374', 'MYRISTIC ACID [FCC]', 'Myristic acid-[14-13C]', 'MYRISTIC ACID [FHFI]', 'MYRISTIC ACID [HSDB]', 'MYRISTIC ACID [INCI]', '4-02-00-01126 (Beilstein Handbook Reference)', 'MLS002152942', 'WLN: QV13', 'Tetradecanoic (Myristic) acid', 'MYRISTIC ACID [MART.]', 'GTPL2806', 'MYRISTIC ACID [USP-RS]', 'DTXSID6021666', 'HMS3039E15', 'HMS3648O20', 'Myristic acid, analytical standard', 'HY-N2041', 'ZINC1530417', 'EINECS 250-924-5', 'Myristic acid, >=98.0% (GC)', 'Tox21_201852', 'Tox21_302781', 'BDBM50147581', 'LMFA01010014', 's5617', 'STL185697', 'Myristic acid, >=95%, FCC, FG', 'Myristic acid, Sigma Grade, >=99%', 'AKOS009156714', 'CCG-266785', 'DB08231', 'DS-3833', 'FA 14:0', 'NSC 122834', 'NCGC00091068-01', 'NCGC00091068-02', 'NCGC00091068-03', 'NCGC00256547-01', 'NCGC00259401-01', 'AC-34674', 'BP-27915', 'SMR001224536', 'CS-0018531', 'FT-0602832', 'FT-0770860', 'M0476', 'EN300-78099', 'C06424', 'Myristic acid, Vetec(TM) reagent grade, 98%', 'Q422658', 'SR-01000854525', 'SR-01000854525-3', 'W-109088', 'F8889-5016', 'Z1954802504', 'EDAE4876-C383-4AD4-A419-10C0550931DB', 'MYRISTIC ACID (CONSTITUENT OF SAW PALMETTO) [DSC]', 'Myristic acid, United States Pharmacopeia (USP) Reference Standard', 'Tetradecanoic acid; 1-Tridecanecarboxylic acid; n-Tetradecanoic acid', 'Myristic acid, Pharmaceutical Secondary Standard; Certified Reference Material']",SIRIUS|suspectlist|suspectlist|suspectlist,1.0,3.0,Lipids and lipid-like molecules,Fatty Acyls,Fatty acids and conjugates,CANOPUS,CCCCCCCCCCCCCC(O)=O
1588,1588,1588,file_9M301R43ID16,301.217468261719,42.8576724,42.8576724,2757157.845459,30,neg,37.7709498,47.944395,./DS_201124_SC_full_PRM_neg_09.mzML,C20H30O2,CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)O,Eicosapentaenoic acid,PUFA from S. Marinoi,446284.0,"(5Z,8Z,11Z,14Z,17Z)-icosa-5,8,11,14,17-pentaenoic acid","['Eicosapentaenoic acid', 'Timnodonic acid', 'Icosapent', '10417-94-4', 'Icosapentaenoic acid', 'EPA', 'cis-5,8,11,14,17-Eicosapentaenoic acid', '(5Z,8Z,11Z,14Z,17Z)-icosa-5,8,11,14,17-pentaenoic acid', 'Icosapento', 'Icosapentum', '5,8,11,14,17-EICOSAPENTAENOIC ACID', 'eicosapentaenoate', '5Z,8Z,11Z,14Z,17Z-Eicosapentaenoic acid', '(all-Z)-5,8,11,14,17-Eicosapentaenoic acid', 'Icosapent [INN]', '(5Z,8Z,11Z,14Z,17Z)-5,8,11,14,17-eicosapentaenoic acid', '5,8,11,14,17-Icosapentaenoic acid', 'Ropufa 70', 'CCRIS 3279', 'Incromega e 7010sr', 'AAN7QOV9EA', '(5Z,8Z,11Z,14Z,17Z)-Icosapentaenoic acid', '(5Z,8Z,11Z,14Z,17Z)-Eicosapentaenoic acid', 'EPA 45G', 'CHEMBL460026', '(5Z,8Z,11Z,14Z,17Z)-Eicosapentaenoate', 'all-cis-5,8,11,14,17-icosapentaenoic acid', 'CHEBI:28364', 'all-cis-5,8,11,14,17-eicosapentaenoic acid', 'all-cis-icosa-5,8,11,14,17-pentaenoic acid', 'Icosapent (INN)', 'cis-Delta(5,8,11,14,17)-eicosapentaenoic acid', '5,8,11,14,17-Eicosapentaenoic acid, (all-Z)-', 'Eicosapentaenoic acid (c20:5 n3)', 'EPA;Timnodonic acid', 'Icosapentaenoate', '(all-Z)-delta5,8,11,14,17-Eicosapentaenoic acid', 'C20:5n-3,6,9,12,15', 'cis-5,8,11,14,17-EPA', 'FA 20:5', 'NCGC00161344-03', 'C20:5 (n-3)', 'EICOSAPENTAENOIC ACID (20:5 n-3)', 'Eicosa-5Z,8Z,11Z,14Z,17Z-pentaenoic Acid (20:5, n-3)', 'Miraxion', 'Eicosapentanoic acid', 'Eye Q', 'Eye-Q', '5,8,11,14,17-Eicosapentaenoic acid, (5Z,8Z,11Z,14Z,17Z)-', 'EPA [drug]', 'UNII-AAN7QOV9EA', '1553-41-9', 'Icosapentum [INN-Latin]', 'Icosapento [INN-Spanish]', '(5Z,8Z,11Z,14Z,17Z)-icosapentaenoate', 'Timnodonate', '3gwx', 'all cis-5,8,11,14,17-Eicosapentaenoic Acid', 'MFCD00065716', 'all-cis-icosapentaenoate', 'all-cis-icosapentaenoic acid', 'DSSTox_CID_21023', 'DSSTox_RID_79612', 'DSSTox_GSID_41023', 'SCHEMBL20469', 'BSPBio_001328', 'BML3-B01', 'GTPL3362', 'DTXSID9041023', 'EICOSAPENTAENOIC ACID [MI]', 'HMS1361C10', 'HMS1791C10', 'HMS1989C10', 'HMS3402C10', 'HMS3649D19', 'HY-B0660', 'ZINC4474603', '5,8,11,14,17-Icosapentaenoate', 'EICOSAPENTAENOIC ACID [INCI]', 'Tox21_111991', '5,8,11,14,17-Eicosapentaenoate', 'BDBM50242349', 'EICOSAPENTAENOIC ACID [VANDF]', 'LMFA01030759', 's6476', 'EICOSAPENTAENOIC ACID [MART.]', 'AKOS027470327', 'EICOSAPENTAENOIC ACID [USP-RS]', 'EICOSAPENTAENOIC ACID [WHO-DD]', 'CCG-207957', 'CCG-208136', 'DB00159', 'cis-5,8,11,14,17-eicosapentaenoate', 'IDI1_033798', 'NCGC00161344-01', 'NCGC00161344-02', 'NCGC00161344-04', 'NCGC00161344-07', '5Z,8Z,11Z,14Z,17Z-Eicosapentaenoate', 'AC-31072', 'AS-53730', 'CAS-10417-94-4', 'E0441', '5,8,11,14,17-Eicosapentaenoic acid (6CI)', 'all cis-5,8,11,14,17-Icosapentaenoic Acid', 'C06428', 'D08061', 'P16966', 'EN300-7403855', '(all-cis)-5,8,11,14,17-Eicosapentaenoic acid', 'EICOSAPENTAENOIC ACID (EPA) (C20:5 N3)', 'L001256', 'Q409990', 'SR-01000946647', 'FA(20:5(5Z,8Z,11Z,14Z,17Z))', 'J-001125', 'SR-01000946647-1', 'z,z,z,z,z-eicosa-5,8,11,14,17-pentaenoic acid', '(Z,Z,Z,Z,Z)-5,8,11,14,17-eicosapentaenoic acid', 'BRD-K47192521-001-02-1', 'cis-5,8,11,14,17-Eicosapentaenoic acid, >=99%', '7F8BF016-B146-4F72-A52E-B9298BA3A9AB', 'C20H30O2 (cis-5,8,11,14,17-eicosapentaenoic acid)', 'Eicosapentaenoic acid, 5,8,11,14,17-(Z,Z,Z,Z,Z)-', '5,8,11,14,17-Eicosapentaenoic acid, (all-Z)- (8CI)', 'cis-5,8,11,14,17-Eicosapentaenoic acid, >=85%, liquid', 'cis-5,8,11,14,17-Eicosapentaenoic acid, analytical standard', '(5Z,8Z,11 Z,14Z,17Z)-icosa-5,8,11,14,17-pentaenoic acid', '(5Z,8Z,11Z,14Z,17Z)-eicosa-5,8,11,14,17-pentaenoic acid', 'cis, cis, cis, cis, cis-eicosa-5,8,11,14,17-pentaenoic acid', '5,8,11,14,17-Eicosapentaenoic acid, (5Z,8Z,11Z,14Z,17Z)- (9CI)', 'cis-5,8,11,14,17-Eicosapentaenoic acid, 500 mug/mL in ethanol, certified reference material']",SIRIUS|MassBank|GNPS|suspectlist,3.0,2.0,Lipids and lipid-like molecules,Fatty Acyls,Fatty acids and conjugates,CANOPUS,CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCC(O)=O
1608,1608,1608,file_9M173R64ID36,173.009048461914,64.379148,63.7940586,20685385.01819,30,neg,57.580821,69.02661,./DS_201124_SC_full_PRM_neg_09.mzML,C6H6O6,C(C(C1C(=O)C(=O)C(=O)O1)O)O,"5-(1,2-dihydroxyethyl)oxolane-2,3,4-trione",,835.0,"5-(1,2-dihydroxyethyl)oxolane-2,3,4-trione","['7723-73-1', '5-(1,2-Dihydroxyethyl)-2,3,4(5H)-furantrione', '5-(1,2-dihydroxyethyl)oxolane-2,3,4-trione', 'CHEBI:17242', 'L-Dehydro Ascorbic Acid', '5-(1,2-dihydroxyethyl)furan-2,3,4(5H)-trione', 'dehydroascorbates', 'Dehydroascorbinsaure', 'SCHEMBL257592', 'CHEMBL174035', 'DEHYDROASCORBIC ACID, L-', 'DTXSID40862023', 'ASCORBIC ACID, L-DEHYDRO-', 'NSC141520', 'NSC240736', 'AKOS006228873', 'NSC-141520', 'NSC-240736', 'AC-13584', 'DB-051599', 'DB-056192', 'FT-0607694', 'FT-0636575', 'Q57826492', '5-(1,2-Dihydroxyethyl)oxolane-2,3,4-trione (non-preferred name)']",SIRIUS|suspectlist,1.0,3.0,Organoheterocyclic compounds,Dihydrofurans,Furanones,CANOPUS,[H][C@@]1(OC(=O)C(=O)C1=O)[C@@H](O)CO
1751,1751,1751,file_1M95R72ID40,94.980812072754,71.653578,71.1336522857143,5699168.44458,30,neg,65.885496,75.084186,./DS_201124_SC_full_PRM_neg_01.mzML,C5H10O5,OC1OC[C@@H](O)[C@H](O)[C@H]1O,D-Xylose,Monosaccharide by S. Marinoi,135191,"(3R,4S,5R)-oxane-2,3,4,5-tetrol","['D-Xyl', 'D-Xylopyranose', 'D-Xylopyranoside', 'D-Xylose', 'Xyl', 'Xylopyranose', 'Xylopyranoside', 'Xylose', 'd-(+)-Xylose', 'Xyloside', 'Wood sugar', '(3R,4S,5R)-oxane-2,3,4,5-tetrol', '7261-26-9', 'D-xylopentose', 'D(+)-XYLOSE', '10257-31-5', 'CHEBI:53455', 'Xylopyranose (6CI,7CI,8CI,9CI)', '50855-32-8', 'Xylomed', '(3R,4S,5R)-tetrahydro-2H-pyran-2,3,4,5-tetrol', 'rel-(3R,4S,5R)-Tetrahydro-2H-pyran-2,3,4,5-tetraol', 'D-(+)-Xylose, >=99%', 'Xylose (USP)', 'Xylo-Pfan (TN)', '(3R,4S,5R)-Tetrahydro-2H-pyran-2,3,4,5-tetraol', 'DSSTox_CID_3745', 'Epitope ID:114701', 'DSSTox_RID_77180', 'DSSTox_GSID_23745', 'SCHEMBL39891', 'MLS001361339', 'CHEMBL502135', 'cid_135191', 'BDBM16234', 'D-(+)-Xylose, analytical standard', 'Tox21_302055', 'AKOS025401342', 'D-(+)-Xylose, BioXtra, >=99%', 'D-(+)-Xylose, puriss., 98.5%', 'CAS-58-86-6', 'D-(+)-Xylose, 99%, natural sourced', 'NCGC00165998-01', 'NCGC00255319-01', 'AC-11300', 'AS-11757', 'SMR000857378', 'CS-0083551', 'C00181', 'D06346', 'EN300-118961', '058X866', 'D-(+)-Xylose, SAJ special grade, 98.0-101.0%', 'F8887-9207', 'WURCS=2.0/1,1,0/[a212h-1x_1-5]/1/', 'Xylose, European Pharmacopoeia (EP) Reference Standard', 'Z1255356270', 'Xylose, United States Pharmacopeia (USP) Reference Standard', 'D-(+)-Xylose, BioUltra, >=99.0% (sum of enantiomers, HPLC)']",GNPS|suspectlist,1.0,2.0,Organic oxygen compounds,Organooxygen compounds,Carbohydrates and carbohydrate conjugates,ClassyFire,C1[C@@H]([C@@H]([C@H](C(O1)O)O)O)O
1775,1775,1775,file_1M146R249ID64,146.046005249023,249.144705,249.10545375,24164462.43489,30,neg,243.242052,254.881848,./DS_201124_SC_full_PRM_neg_01.mzML,C5H9NO4,C(CC(=O)O)C(C(=O)O)N,DL-Glutamic acid,,611,2-aminopentanedioic acid,"['DL-Glutamic acid', '617-65-2', '2-aminopentanedioic acid', 'Glutamic acid, DL-', 'Glutamic acid DL-form', 'glutaminic acid', 'H-DL-Glu-OH', 'H-DL-Glu-OH.H2O', 'DL-Glu', 'NSC 9967', 'Glutaminsaeure', 'glutamate', 'MFCD00063113', '2-Aminoglutaric acid', '.alpha.-Aminoglutaric acid', '61LJO5I15S', '4-Amino-1,5-pentanedioic acid', 'NSC-9967', 'NSC620337', 'NSC-206301', 'L-2-Aminoglutaric acid', 'DL-Glutamicacid', '1-Aminopropane-1,3-dicarboxylic acid', '(+-)-Glutamic acid', 'Acidum glutaminicum', 'Glutamate, L-', 'glutamic acid-2,3,3,4,4-d5', 'Glutamic acid (VAN)', '.alpha.-Glutamic acid', 'Glutamic acid (USAN)', '49717-32-0', 'Glutamic acid (H-3)', 'Glutamic acid, (S)-', 'Glutaminic acid (VAN)', 'NSC 206301', 'Glutamic Acid [USAN:INN]', 'EINECS 210-522-2', 'Acide glutamique [INN-French]', 'Acido glutamico [INN-Spanish]', 'Acidum glutamicum [INN-Latin]', 'alpha-Aminoglutaric acid (VAN)', '2-Aminopentanedioic acid, (S)-', 'BRN 1723799', 'glutaminsaure', 'UNII-61LJO5I15S', 'MFCD00063112', 'NSC-77686', 'DL-Glutamate', 'D,L-glutamic acid', 'DL-Glutaminic acid', 'laevo-glutamic acid', '2IT', '(+/-)-glutamic acid', 'Glu146', '2-Amino-pentanedioic acid', 'Pentanedioic acid, (S)-', '25513-46-6', 'bmse000037', 'bmse000913', 'bmse001013', 'WLN: QVYZ2VQ -L', 'SCHEMBL2201', '(.+/-.)-Glutamic acid', 'NCIOpen2_000764', '4-04-00-03028 (Beilstein Handbook Reference)', 'L-Glutamic Acid-[2-13C]', 'CHEMBL276389', 'DTXSID0046987', 'CHEBI:18237', 'CHEBI:53373', 'NSC9967', 'GLUTAMIC ACID, DL- [II]', '6899-05-4', 'AMY25304', 'GLUTAMIC ACID DL-FORM [MI]', 'NSC77686', '2-aminopentanedioic acidglutamic acid', 'AC7831', 'BDBM50002371', 'NSC143503', 'NSC206301', 'PDSP1_000621', 'PDSP2_000618', 'STK017280', 'AKOS000118798', 'AKOS016050534', 'CS-W022635', 'HY-W041895', 'NSC-620337', 'NCGC00015470-02', 'AC-24034', 'AS-13496', 'SY007089', 'SY008517', 'DB-055206', 'FT-0624571', 'FT-0627824', 'FT-0657301', 'FT-0669004', 'FT-0696960', 'G0058', 'EN300-18047', 'C00302', 'D04341', 'AB00443951-09', 'A854538', 'L001165', 'Q181136', 'Q-100712', 'Q27145702', 'Z57127545', '96C32356-219C-4821-AF0E-30FCBFA1A321']",SIRIUS|suspectlist,1.0,3.0,Organic acids and derivatives,Carboxylic acids and derivatives,"Amino acids, peptides, and analogues",CANOPUS,C(CC(=O)O)[C@@H](C(=O)O)N
1844,1844,1844,file_6M146R186ID63,146.046081542969,186.11208,186.10825325,58028451.56564,30,neg,180.18531,192.017586,./DS_201124_SC_full_PRM_neg_06.mzML,C5H9NO4,N[C@@H](CCC(=O)O)C(=O)O,Glutamic Acid,,33032.0,(2S)-2-aminopentanedioic acid,"['L-glutamic acid', 'GLUTAMIC ACID', '56-86-0', '(2S)-2-Aminopentanedioic acid', 'L-glutamate', '(S)-2-Aminopentanedioic acid', 'Glutamidex', 'Glutaminol', 'H-Glu-OH', 'glutacid', 'Glutaton', 'Aciglut', 'L-Glutaminic acid', 'Glutamicol', 'Glusate', '(S)-Glutamic acid', 'L-glu', 'D-Glutamiensuur', 'L-(+)-glutamic acid', 'Acidum glutamicum', 'glutaminic acid', 'alpha-aminoglutaric acid', 'Glutamic acid, L-', '(S)-(+)-Glutamic acid', 'Acido glutamico', 'Acide glutamique', 'FEMA No. 3285', 'glut', 'glutamate', 'L-alpha-Aminoglutaric acid', 'alpha-Glutamic acid', 'glu', 'Pentanedioic acid, 2-amino-, (S)-', '2-Aminoglutaric acid', 'CCRIS 7314', 'Glutamic Acid (L-glutamic acid)', '1-Aminopropane-1,3-dicarboxylic acid', 'L-2-Aminoglutaric acid', 'Acidum glutaminicum', 'AI3-18472', '25513-46-6', 'EPA Pesticide Chemical Code 374350', 'NSC 143503', 'Glutamic acid (VAN)', 'Glutamic acid (H-3)', 'Glutaminic acid (VAN)', 'Gamma-L-Glutamic Acid', 'Glutamate, L-', 'Glutamic Acid [USAN:INN]', 'L(+)-Glutamic acid', 'L-2-amino-pentanedioic acid', 'Acide glutamique [INN-French]', 'Acido glutamico [INN-Spanish]', 'Acidum glutamicum [INN-Latin]', 'Glutamic acid, (S)-', 'alpha-Aminoglutaric acid (VAN)', '3KX376GY7L', 'INS NO.620', 'E 620', 'CHEBI:16015', 'INS-620', 'C5H9NO4', 'NSC-143503', '2-Aminopentanedioic acid, (S)-', 'NCGC00024502-03', 'E620', 'a-Glutamic acid', 'E-620', '55443-55-5', 'a-Aminoglutaric acid', 'L-a-Aminoglutaric acid', '(2S)-2-aminopentanedioate', 'L-Glutaminsaeure', 'L-Acido glutamico', '.alpha.-Glutamic acid', 'glt', 'L(+)-Monosodium glutamate monohydrate', '1-amino-propane-1,3-dicarboxylic acid', 'GLUTAMIC ACID [USAN]', '6106-04-3', 'EINECS 200-293-7', 'L-Glutamic acid (9CI)', 'MFCD00002634', 'aminoglutarate', 'UNII-3KX376GY7L', 'alpha-Glutamate', 'a-Glutamate', 'L-gluatmate', 'a-Aminoglutarate', 'L-glutamic-acid', 'L-Glutamic adid', '2-Aminoglutarate', 'aminoglutaric acid', '1ftj', '1xff', '(S)-glutamate', 'L-a-Aminoglutarate', 'alpha-Aminoglutarate', '(L)-glutamic acid', 'H-Glu', 'L-Glutamic,(S)', 'L-(+)-Glutamate', 'L-alpha-Aminoglutarate', 'Glutamic acid (USP)', 'Tocris-0218', '[3h]-l-glutamic acid', '1ii5', '(+)-L-Glutamic acid', '(S)-(+)-Glutamate', '(S)-Glu', 'DSSTox_CID_659', 'GGL', 'L-[14C(U)]glutamate', '(S)-2-Aminopentanedioate', 'Biomol-NT_000170', 'EC 200-293-7', 'GLUTAMIC ACID [MI]', 'L-Glutamic acid (JP17)', 'SCHEMBL2202', 'DSSTox_RID_75716', 'GLUTAMIC ACID [INN]', 'L-Glutamic acid-[13C5]', 'DSSTox_GSID_20659', 'L-Glutamic acid, 98.5%', 'Lopac0_000529', 'S)-2-Aminopentanedioic acid', 'GLUTAMIC ACID [INCI]', 'GLUTAMIC ACID [VANDF]', 'L-GLUTAMIC ACID [FCC]', 'L-GLUTAMIC ACID [JAN]', 'BPBio1_001132', 'CHEMBL575060', 'GTPL1369', 'HSDB 490', 'GLUTAMIC ACID [USP-RS]', 'GLUTAMIC ACID [WHO-DD]', 'L-GLUTAMIC ACID [FHFI]', 'L-Glutamic acid, 99%, FCC', 'DTXSID5020659', 'BDBM17657', 'CHEBI:53374', '1-Aminopropane-1,3-dicarboxylate', 'Glutamic acid, L- (7CI,8CI)', 'L (+)-glutamic acid, alpha-form', '1-amino-propane-1,3-dicarboxylate', '6899-05-4', 'L-Glutamic acid, non-animal source', 'ZINC1482113', 'Tox21_113053', 'GLUTAMIC ACID [EP MONOGRAPH]', 'HB0383', 'HSCI1_000269', 'PDSP1_000128', 'PDSP1_001539', 'PDSP2_000127', 'PDSP2_001523', 's6266', 'AKOS006238837', 'AKOS015854087', 'AM81690', 'CCG-204619', 'DB00142', 'SDCCGSBI-0050512.P002', 'CAS-56-86-0', 'ALANINE IMPURITY B [EP IMPURITY]', 'NCGC00024502-01', 'NCGC00024502-02', 'NCGC00024502-04', 'NCGC00024502-07', '(2S)-2-aminopentanedioic acid;H-Glu-OH', 'AC-11294', 'DS-13284', 'HY-14608', '(S)-1-Aminopropane-1,3-dicarboxylic acid', '(S)-1-Aminopropane-1,3-dicarboxylic  acid', '(S)-2-AMINO-1,5-PENTANEDIOIC ACID', 'CS-0003473', 'G0059', 'EN300-52632', 'L-Glutamic acid, BioUltra, >=99.5% (NT)', 'L-Glutamic acid, tested according to Ph.Eur.', 'C00025', 'D00007', 'L-Glutamic acid, NIST(R)RM 8573, USGS40', 'LYSINE ACETATE IMPURITY B [EP IMPURITY]', 'M02979', 'M03872', 'L-Glutamic acid, JIS special grade, >=99.0%', 'L-Glutamic acid, NIST(R) RM 8574, USGS41', '002G634', 'A831210', 'SR-01000597730', 'J-502415', 'L-Glutamic acid, ReagentPlus(R), >=99% (HPLC)', 'L-Glutamic acid, Vetec(TM) reagent grade, >=99%', 'SR-01000597730-1', 'L-Glutamic acid, >=99%, FCC, natural sourced, FG', 'Q26995161', 'F8889-8668', 'Z756440052', '27322E29-9696-49C1-B541-86BEF72DE2F3', 'Glutamic acid, European Pharmacopoeia (EP) Reference Standard', 'L-Glutamic acid, certified reference material, TraceCERT(R)', 'Glutamic acid, United States Pharmacopeia (USP) Reference Standard', 'L-Glutamic acid, from non-animal source, meets EP testing specifications, suitable for cell culture, 98.5-100.5%']",SIRIUS|MassBank|GNPS|suspectlist,3.0,2.0,Organic acids and derivatives,Carboxylic acids and derivatives,"Amino acids, peptides, and analogues",CANOPUS,C(CC(=O)O)[C@@H](C(=O)O)N