Exact Mass: 187.0261

trans-3-Indoleacrylic acid is an endogenous metabolite.

6-Chloro-N-(1-methylethyl)-1,3,5-triazine-2,4-diamine

6-chloro-N-(1-Methylethyl)-1,3,5-triazine-2,4-diamine, 9ci

C6H10ClN5 (187.0625)

CONFIDENCE standard compound; INTERNAL_ID 1296; DATASET 20200303_ENTACT_RP_MIX504; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 7123; ORIGINAL_PRECURSOR_SCAN_NO 7121 CONFIDENCE standard compound; INTERNAL_ID 1296; DATASET 20200303_ENTACT_RP_MIX504; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 7114; ORIGINAL_PRECURSOR_SCAN_NO 7112 CONFIDENCE standard compound; INTERNAL_ID 1296; DATASET 20200303_ENTACT_RP_MIX504; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 7136; ORIGINAL_PRECURSOR_SCAN_NO 7132 CONFIDENCE standard compound; INTERNAL_ID 1296; DATASET 20200303_ENTACT_RP_MIX504; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 7127; ORIGINAL_PRECURSOR_SCAN_NO 7125 CONFIDENCE standard compound; INTERNAL_ID 1296; DATASET 20200303_ENTACT_RP_MIX504; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 7139; ORIGINAL_PRECURSOR_SCAN_NO 7137 CONFIDENCE standard compound; INTERNAL_ID 1296; DATASET 20200303_ENTACT_RP_MIX504; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 7129; ORIGINAL_PRECURSOR_SCAN_NO 7127 6-Chloro-N-(1-methylethyl)-1,3,5-triazine-2,4-diamine is a major soil metabolite of Atrazine DKW85-F. Environmental pollutant of soil and water. Major soil metabolite of Atrazine DKW85-F. Environmental pollutant of soil and water. CONFIDENCE standard compound; EAWAG_UCHEM_ID 309 CONFIDENCE standard compound; INTERNAL_ID 4025 INTERNAL_ID 3016; CONFIDENCE standard compound CONFIDENCE standard compound; INTERNAL_ID 8408 CONFIDENCE standard compound; INTERNAL_ID 3016 CONFIDENCE standard compound; INTERNAL_ID 2537

2-(Acetamidomethylidene)succinic acid

Butanedioic acid, [(acetylamino)methylene]-

SCHEMBL16620138

(2S,4S)-4-hydroxy-2,3,4,5-tetrahydropyridine-2,6-dicarboxylic acid

Nithiamide

C254 - Anti-Infective Agent

Methyl 2-quinolinecarboxylate

Methyl quinoline-2-carboxylate

Indoleacrylic acid

(2E)-3-(1H-indol-3-yl)prop-2-enoic acid

Indoleacrylic acid (CAS: 1204-06-4), also known as indoleacrylate, IA, and IAcrA, is a member of the class of compounds known as indoles. Indoles are compounds containing an indole moiety, which consists of pyrrole ring fused to benzene to form 2,3-benzopyrrole. Indoleacrylic acid is practically insoluble (in water) and a weak acidic compound (based on its pKa). Within the cell, indoleacrylic acid is primarily located in the membrane (predicted from logP). Indoleacrylic acid is best known as a plant growth hormone (a natural auxin), whereas its biological role in animals is still unknown. A two-stage production of this compound is likely: intestinal microorganisms catabolize tryptophan to indole derivatives which are then absorbed and converted into indoleacrylic acid and its glycine conjugate, indolylacryloylglycine (IAcrGly). Indolylacryloylglycine excretion in urine is especially pronounced in some myopathies, namely in boys with Duchenne muscular dystrophy (PMID: 10707769). It has been recently found that indoleacrylic acid promotes intestinal epithelial barrier function and mitigates inflammatory responses. Stimulating indoleacrylic acid production could promote anti-inflammatory responses and have therapeutic benefits (PMID: 28704649). Urinary Indole-3-acrylate is produced by Clostridium sporogenes (PMID: 29168502). Indoleacrylic acid is also a metabolite of Peptostreptococcus (PMID: 28704649, 29168502). trans-3-Indoleacrylic acid is an endogenous metabolite.

1-(Malonylamino)cyclopropanecarboxylic acid

1-[(2-Carboxy-1-hydroxyethylidene)amino]cyclopropane-1-carboxylate

1-(Malonylamino)cyclopropanecarboxylic acid is found in cereals and cereal products. 1-(Malonylamino)cyclopropanecarboxylic acid is a constituent of numerous plant species including wheat, tomato and sweet corn Constituent of numerous plant subspecies including wheat, tomato and sweet corn. 1-(Malonylamino)cyclopropanecarboxylic acid is found in cereals and cereal products and garden tomato.

(1R,4R,5S,6R)-4-Amino-2-oxabicyclo[3.1.0]hexane-4,6-dicarboxylic acid

1-(2-Hydroxyethyl-2-hydroxymethyl)-5-nitro-imidazole

Desmethylmisonidazole

3-(2-nitro-1H-imidazol-1-yl)propane-1,2-diol

1h-[1,2,4]Oxadiazolo[4,3-a]quinoxalin-1-one

D004791 - Enzyme Inhibitors

2-Amino-4-chloro-3-hydroxybenzoic acid

4-Phenyl-3-furoxancarbonitrile

3-cyano-4-phenyl-1,2,5-oxadiazol-2-ium-2-olate

1-(2-Hydroxyethyl)-2-hydroxymethyl-5-nitroimidazole

2-[2-(hydroxymethyl)-5-nitro-1H-imidazol-1-yl]ethan-1-ol

N-Methylquinolinium-2-carboxylate

3-Indoleacrylic acid

Indole-3-acrylic acid

trans-3-Indoleacrylic acid is an endogenous metabolite.

1-Acetylindole-3-carboxaldehyde

1-Acetyl-1H-indole-3-carbaldehyde

An N-acylindole that is N-acetylindole carrying an additional formyl substituent at position 3.

4-Methyl-[1,2]naphthochinon-2-oxim|4-methyl-[1,2]naphthoquinone-2-oxime

2-methyl-4-nitrosonaphthalen-1-ol

5-Methyl-2-nitroso-[1]naphthol

1-methylquinolin-1-ium-2-carboxylate

Indoleacrylic acid

3-Indoleacrylic acid

trans-3-Indoleacrylic acid is an endogenous metabolite.

p-Toluidine-m-sulfonic acid

5-Amino-2-methylbenzenesulfonic acid

ORIGINAL_ACQUISITION_NO 1617; CONFIDENCE standard compound; INTERNAL_ID 791; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_PRECURSOR_SCAN_NO 1616 CONFIDENCE standard compound; INTERNAL_ID 791; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 1617; ORIGINAL_PRECURSOR_SCAN_NO 1616 CONFIDENCE standard compound; INTERNAL_ID 791; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 1611; ORIGINAL_PRECURSOR_SCAN_NO 1610 CONFIDENCE standard compound; INTERNAL_ID 791; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 1616; ORIGINAL_PRECURSOR_SCAN_NO 1615 CONFIDENCE standard compound; INTERNAL_ID 791; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 1612; ORIGINAL_PRECURSOR_SCAN_NO 1611

2,5-Dimethoxy-4-chloroaniline

CONFIDENCE standard compound; INTERNAL_ID 945; DATASET 20200303_ENTACT_RP_MIX500; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 7030; ORIGINAL_PRECURSOR_SCAN_NO 7028 CONFIDENCE standard compound; INTERNAL_ID 945; DATASET 20200303_ENTACT_RP_MIX500; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 7022; ORIGINAL_PRECURSOR_SCAN_NO 7018 CONFIDENCE standard compound; INTERNAL_ID 945; DATASET 20200303_ENTACT_RP_MIX500; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 7034; ORIGINAL_PRECURSOR_SCAN_NO 7032 CONFIDENCE standard compound; INTERNAL_ID 945; DATASET 20200303_ENTACT_RP_MIX500; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 7049; ORIGINAL_PRECURSOR_SCAN_NO 7046 CONFIDENCE standard compound; INTERNAL_ID 945; DATASET 20200303_ENTACT_RP_MIX500; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 7069; ORIGINAL_PRECURSOR_SCAN_NO 7066

p-Toluidine-o-sulfonic acid

2-Amino-5-methylbenzenesulfonic acid

CONFIDENCE standard compound; INTERNAL_ID 1329; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 1617; ORIGINAL_PRECURSOR_SCAN_NO 1616 CONFIDENCE standard compound; INTERNAL_ID 1329; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 1611; ORIGINAL_PRECURSOR_SCAN_NO 1610 CONFIDENCE standard compound; INTERNAL_ID 1329; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 1616; ORIGINAL_PRECURSOR_SCAN_NO 1615 CONFIDENCE standard compound; INTERNAL_ID 1329; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 1612; ORIGINAL_PRECURSOR_SCAN_NO 1611 CONFIDENCE standard compound; INTERNAL_ID 1329; DATASET 20200303_ENTACT_RP_MIX504; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9107; ORIGINAL_PRECURSOR_SCAN_NO 9103 CONFIDENCE standard compound; INTERNAL_ID 1329; DATASET 20200303_ENTACT_RP_MIX504; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9120; ORIGINAL_PRECURSOR_SCAN_NO 9117

m1g

C8H5N5O (187.0494)

consensus spectrum

3-Indoleacrylic acid; AIF; CE0; CorrDec

3-Indoleacrylic acid; AIF; CE10; CorrDec

3-Indoleacrylic acid; AIF; CE30; CorrDec

3-Indoleacrylic acid; AIF; CE0; MS2Dec

3-Indoleacrylic acid; AIF; CE10; MS2Dec

3-Indoleacrylic acid; AIF; CE30; MS2Dec

3-Indoleacrylic acid [M+H-H2O]+; AIF: CE0; MS2Dec

3-Indoleacrylic acid [M+H-H2O]+; AIF: CE10; MS2Dec

3-Indoleacrylic acid [M+H-H2O]+; AIF: CE30; MS2Dec

3-Indoleacrylic acid; AIF: CE0; MS2Dec

3-Indoleacrylic acid; AIF: CE10; MS2Dec

3-Indoleacrylic acid; AIF: CE30; MS2Dec

3-Indoleacrylic acid; LC-tDDA; CE10

3-Indoleacrylic acid; LC-tDDA; CE20

3-Indoleacrylic acid; LC-tDDA; CE30

3-Indoleacrylic acid; LC-tDDA; CE40

1,N2-Malondialdehyde-guanine

C8H5N5O1 (187.0494)

1-Mtheyl-guanine

C8H5N5O1 (187.0494)

ODQ

1h-[1,2,4]Oxadiazolo[4,3-a]quinoxalin-1-one

D004791 - Enzyme Inhibitors

1-(2-Hydroxyethyl)-2-hydroxymethyl-5-nitroimidazole

Macpca

1-((Carboxyacetyl)amino)-cyclopropanecarboxylic acid

4-(PYRIDIN-2-YLOXY)PHENOL

3-Chloro-2-methoxypyridine-5-boronic acid

Sulfamide, (o-aminophenyl)- (7CI)

Sulfamide, (4-aminophenyl)- (9CI)

5-chloro-4-methyl-2-nitrophenol

Saccharin-d4

C7HD4NO3S (187.0241)

3-(chloromethyl)-4,5-dimethoxypyridine

3,5-difluoro-4-methoxybenzamide

methyl 1-(2-chloroethyl)pyrrole-3-carboxylate

3-(chloromethyl)-2,6-dimethoxypyridine

5-(azidomethyl)benzo[d][1,3]dioxole hydrochloride

2-Methylquinoline-6-carboxylicacid

5-methyl-2-phenyl-1,3-oxazole-4-carbaldehyde

methyl 4-aminobenzoate,hydrochloride

2-(2-methylphenyl)-1,3-oxazole-4-carbaldehyde

1-Allyl-1H-indole-2,3-dione

5-Chloro-2-methoxypyridine-3-boronic acid

2-chloro-5-methyl-4-nitro-phenol

4-Methylquinoline-2-carboxylic acid

p Tolylmaleimide

6-methoxyquinoline-3-carbaldehyde

6-Methylquinoline-3-carboxylic acid

1-Naphthalenecarbothioamide

(R)-1-PHENYL-1,3-PROPANEDIOL

[Amino(phenyl)methyl]phosphonic acid

C7H10NO3P (187.0398)

2,4-Dioxo-1,2,3,4-tetrahydroquinazoline-7-carbonitrile

METHYL 4-CHLORO-5-HYDROXYNICOTINATE

2-(Methylthio)-5-nitropyrimidin-4-ol

2-METHYL-INDOLIZINE-1,3-DICARBALDEHYDE

(2,2-difluoro-1,3-benzodioxol-4-yl)methanamine

2-Furancarboxamide,N-phenyl-

3-methyl-1-phenylpyrrole-2,5-dione

4-Chloro-2-methyl-6-nitro-phenol

1H-Imidazole-4-carboxylicacid,2-methoxy-5-nitro-(9CI)

C5H5N3O5 (187.0229)

3-(1h-pyrrol-1-yl)benzoic acid

Methanesulfonic acid,1-(phenylamino)-

5-Chloro-N,2-dihydroxybenzamide

2-(Trifluoromethyl)phenyl isocyanate

4-(Trifluoromethyl)phenyl isocyanate

L-Glutamic acid monosodium salt monohydrate

C5H10NNaO5 (187.0457)

D000074385 - Food Ingredients > D005503 - Food Additives D010592 - Pharmaceutic Aids > D005421 - Flavoring Agents

3-Chloro-4-fluoroacetanilide

Methyl quinoline-6-carboxylate

8-Methyl-2-Oxo-1,2-Dihydro-Quinoline-3-Carbaldehyde

2-amino-6-(trifluoromethyl)nicotinonitrile

2-P-TOLYL-OXAZOLE-4-CARBALDEHYDE

2-chloro-5-nitro-1,4-phenylenediamine

4-methoxypyridine-2-carboximidamide,hydrochloride

6-methoxypyridine-2-carboximidamide,hydrochloride

3-MethoxypicoliniMidaMide hydrochloride

5-Methoxypicolinimidamide hydrochloride

3-Chloro-2-methoxypyridin-4-ylboronic acid

6-Methoxynicotinimidamide hydrochloride

6-AMINO-2-NAPHTHOIC ACID

N-(2-Chloro-4-fluorophenyl)acetamide

6-Chloro-5-methoxynicotinic acid

[(5-methyl-1,3,4-thiadiazol-2-yl)amino](oxo)acetic acid

2-Chloro-6-methoxyisonicotinic acid

2-(4-chloro-2,6-difluorophenyl)acetonitrile

C8H4ClF2N (187)

3-Aminomethylphenylboronic acid hydrochloride

Methyl 2-amino-3,4-difluorobenzoate

(2-Chloro-5-methoxy-3-pyridinyl)boronic acid

3-METHOXY-2,4,5-TRIFLUOROBENZONITRILE

methyl 3-amino-5-chloropyrazine-2-carboxylate

Methyl 2-amino-3,6-difluorobenzoate

5-(Trifluoromethyl)indoline

2,6-Difluoro-3-nitrobenzaldehyde

C7H3F2NO3 (187.0081)

Methyl 6-chloro-5-hydroxynicotinate

6-Cyano-1H-indazole-3-carboxylic acid

Cyclopropanamine, 1-(4-fluorophenyl)-, hydrochloride

2-methylquinoline-8-carboxylic acid

5-methyl-7H-furo[2,3-f]indol-6-one

4-Amino-1-naphthoic acid

6-nitro-1H-indole-3-carbonitrile

6-(trifluoromethyl)indoline

METHYL 4-AMINO-2,3-DIFLUOROBENZOATE

4-(Trifluoromethyl)-2,3-dihydro-1H-indole

2-amino-5-(trifluoromethyl)pyridine-3-carbonitrile

6-Fluoro-1,2,3,4-tetrahydro-isoquinoline hydrochloride

2-(1H-Pyrrol-1-yl)benzoic acid

4-(1,2,3-THIADIAZOL-4-YL)BENZONITRILE

n-(chloroacetyl)-3-fluoroaniline

p-Chlorofluoroacetanilide

2-(3-methylphenyl)-1,3-oxazole-4-carbaldehyde

Methyl 5-quinolinecarboxylate

2-(Trifluoromethyl)imidazo[1,2-a]pyrazine

2-(QUINOLIN-7-YL)ACETIC ACID

3-(Trifluoromethyl)-1H-pyrazolo[3,4-b]pyridine

Hydrazinecarboxamide,N-phenyl-, hydrochloride (1:1)

5-Phenyl-1H-pyrrole-2-carboxylic acid

Methyl 4-amino-2-chloropyrimidine-5-carboxylate

2,3-Difluoro-4-methoxybenzamide

Sulfamide, (3-aminophenyl)- (9CI)

Methyl 4-amino-2,6-difluorobenzoate

Methyl quinoline-7-carboxylate

3-CHLORO-4-HYDROXY-5-METHOXYBENZYLAMINE

2-nitro-5-chloroanisole

5-Acetyl-4-hydroxy-2H-1,3-thiazine-2,6(3H)-dione

1H-Imidazole-4-carboxylicacid,2-amino-4,5-dihydro-4-hydroxy-5-oxo-,ethyl

ethyl 5-amino-2-sulfanylidene-1,3-dihydroimidazole-4-carboxylate

5-Fluoro-1,2,3,4-tetrahydro-isoquinoline hydrochloride

6-fluoro-2,3-dihydro-1H-inden-1-amine,hydrochloride

7-Fluoro-1,2,3,4-tetrahydro-isoquinoline hydrochloride

(E)-Methyl 2-Cyano-3-phenyl-2-propenoate

NAPHTHALENE-2-CARBOTHIOAMIDE

5-Chloro-2,4-dimethoxyaniline

2-Amino-4-(methylsulfonyl)phenol

Methyl isoquinoline-3-carboxylate

M-Toluidine-4-sulfonic Acid

1-(2-phenyl-1,3-oxazol-5-yl)ethanone

Methyl .alpha.-cyanocinnamate

sulfamethazine

6-Chloro-3-imino-2,3-dihydropyridazine-2-acetic acid

6-Chloro-2-methoxypyridine-3-boronic acid

4-(chloromethyl)-5-ethylfuran-2-carboxamide

2-[(6-chloro-2-methyl-4-pyrimidinyl)amino]-1-ethanol

2-isoquinolin-1-ylacetic acid

1,3-Pyrrolidinedicarboxylic acid,2-methyl-4-oxo-

2-(QUINOLIN-8-YL)ACETIC ACID

6-Cyanoimidazo[1,2-a]pyridine-2-carboxylic acid

5-CHLOROMETHYL-3-HYDROXY-4-HYDROXYMETHYL-2-METHYLPYRIDINE

3-(methylamino)pyridine-2-sulfonamide

2-CHLORO-5-METHOXYNICOTINIC ACID

8-methylquinoline-4-carboxylic acid

2-chloro-5,6,7,8-tetrahydro-4H-thieno[2,3-d]azepine

C8H10ClNS (187.0222)

3-chloro-5,6,7,8-tetrahydro-4H-thieno[2,3-d]azepine

C8H10ClNS (187.0222)

6-chloro-3-methoxypyridazine-4-carboxamide

AMINO-(2,6-DIFLUORO-PHENYL)-ACETIC ACID

2-Amino-4-hydroxyacetophenone hydrochloride

7,8-DIFLUORO-3,4-DIHYDRO-2H-BENZO[B][1,4]THIAZINE

C8H7F2NS (187.0267)

N-(2-Chloro-6-fluorobenzyl)ethanamine

2-methoxybenzenesulfonamide

5-Chloro-2-methoxypyridine-4-boronic acid

3-Amino-2-Hydroxyacetophenone HCl

1-chloro-3-methoxy-2-nitro-benzene

5-(4-METHYLPHENYL)ISOXAZOLE-3-CARBOXALD&

7-HYDROXY-2-OXO-2H-CHROMENE-3-CARBONITRILE

C10H5NO3 (187.0269)

Methanesulfonamide,N-(2-hydroxyphenyl)-

2-AMINO-3-CHLORO-5-NITRO-6-PICOLINE

3-METHOXYBENZENESULPHONAMIDE

5-FLUORO-2,3-DIHYDROBENZO[D]ISOTHIAZOLE 1,1-DIOXIDE

C7H6FNO2S (187.0103)

[1-Bromo(2,2,2-2H3)ethyl]benzene

C8H6BrD3 (187.0076)

L-Cysteic acid monohydrate

C3H9NO6S (187.0151)

L-Cysteic acid monohydrate is an endogenous metabolite.

3-(3-CYANO-PHENYL)-ACRYLIC ACID METHYL ESTER

2-(5-CHLOROTHIEN-2-YL)PYRROLIDINE

C8H10ClNS (187.0222)

5-Cyano-1H-indazole-3-carboxylic acid

Methyl 3-Pyridylacetate Hydrochloride

METHYL 4-PYRIDYLACETATE HYDROCHLORIDE

6-chloro-4-methyl-3-nitropyridin-2-amine

6-Chloro-5-methyl-3-nitro-2-pyridinamine

Methyl 4-amino-3,5-difluorobenzoate

1,2,3,6-TETRAHYDRO-4-(TRIFLUOROMETHYL)PYRIDINE HYDROCHLORIDE

C6H9ClF3N (187.0376)

6-(CHLOROMETHYL)-N,N-DIMETHYL-1,3,5-TRIAZINE-2,4-DIAMINE

C6H10ClN5 (187.0625)

3-chloro-4-methyl-5-nitropyridin-2-amine

3-Mesyl-4-methoxypyridine

3-aminotoluene-4-sulphonic acid

2-(trifluoromethyl)-1H-imidazo[4,5-c]pyridine

2-Methyl-3-nitrothiophene-5-carboxylic Acid

4-HYDROXY-2-OXO-2H-CHROMENE-3-CARBONITRILE

C10H5NO3 (187.0269)

1-Ethylpyridinium bromide

C7H10BrN (186.9997)

4-chloro-2-nitrobenzyl alcohol

2-fluoro-5-hydrazinylbenzonitrile,hydrochloride

C7H7ClFN3 (187.0313)

2-cyano-3-(4-methylphenyl)acrylic acid

Monosodium Glutamate

C5H10NNaO5 (187.0457)

4,6-Diamino-5-Nitro-2-Thiolpyrimidine

C4H5N5O2S (187.0164)

trimethyl-(1,1,2,2-tetradeuterio-2-hydroxyethyl)azanium,bromide

C5H10BrD4NO (187.051)

bis(2-chloroethyl)-d8-amine hcl

C4Cl3D10N (187.0507)

8-METHYL-QUINOLINE-3-CARBOXYLIC ACID

4-CHLORO-6-NITRO-M-CRESOL

7-Methoxy-2H-chromene-3-carbonitrile

3-(Aminomethyl)benzoic acid hydrochloride (1:1)

2-(2-Aminothiazole-4-yl)-2-hydroxyiminoacetic acid

4-[chloro(difluoro)methyl]benzonitrile

C8H4ClF2N (187)

2-chloro-N-(3,5-dimethyl-1H-pyrazol-4-yl)acetamide

Methyl 3-amino-6-chloropyrazine-2-carboxylate

8-Quinolinyl acetate

Methyl 3-amino-2,6-difluorobenzoate

2-(Trifluoromethyl)benzo[d]oxazole

4-Methylmetanilic acid

beta-(2-thienyl)-dl-serine

METHYL 3-AMINOBENZOATE HYDROCHLORIDE

2-Chloro-5-methoxyisonicotinic acid

3-METHYL-5-PHENYL-4-ISOXAZOLECARBALDEHYDE

3-CHLORO-5-METHOXYPICOLINIC ACID

3-Hydrazinylbenzenesulfonamide

2-chloro-6-fluoro-3-methylbenzamide

5-(Trifluoromethyl)-1H-imidazo[4,5-b]pyridine

3,5-Difluoro mandelic acid

C8H5F2O3 (187.0207)

5-(Trifluoromethyl)benzo[d]oxazole

N-(4-Hydroxyphenyl)-methanesulfonamide

1-o-tolyl-pyrrole-2,5-dione

6-Amino-m-toluensulfonic acid

4-morpholino-1,2,5-thiadiazol-3-ol

5-(trifluoromethyl)-2H-benzotriazole

5-(Trifluoromethyl)-1H-1,2,3-Benzotriazole

(4R)-3-Acetyl-1,3-thiazolidine-4-carboxylic acid

3-chloro-5-(dimethoxymethyl)pyridine

6-Chloro-4-methoxypicolinic acid

5-Nitro-1H-indole-3-carbonitrile

4-CHLORO-5-NITRO-O-PHENYLENEDIAMINE

6-Methoxy-4-quinolinecarbaldehyde

3-Chloro-5-carboxy-2-methoxypyridine

2,6-Dimethylpyridine-4-sulfonic acid

2-Chloro-6-methoxynicotinic acid

3-chloro-6-methoxypyridine-2-carboxylic acid

4-Aminomethylphenylboronicacidhydrochloride

7-ACETYLBENZOFURAN

4-Hydroxy-3-(trifluoromethyl)benzonitrile

4-Hydroxy-2-(trifluoromethyl)benzonitrile

(3-AMINO-4-METHYLPHENYL)BORONIC ACID HYDROCHLORIDE

2-Hydroxy-3-naphtoamide

Quinacetol sulfate

1-(8-Hydroxyquinolin-5-yl)ethanone

2-Chloro-1-methoxy-3-nitrobenzene

5-Chloro-3-ethoxy-2-methoxypyridine

N-METHYL-O-BENZOYLHYDROXYLAMINE HYDROCHLORIDE

Methyl 2-amino-4,6-difluorobenzoate

3-Chloro-2-methoxyisonicotinic acid

(2-Chloro-3-nitrophenyl)methanol

Methyl 4-quinolinecarboxylate

1-Azido-3-(trifluoromethyl)benzene solution

Thiazolo[4,5-g]quinoxaline (8CI,9CI)

Quinolin-2-ylacetic acid

2-methoxy-4-nitrochlorobenzene

1-(3-Fluorphenyl)cyclopropanaminhydrochlorid(1:1)

5-chloro-2-methoxynicotinic acid

3-(O-TOLYL)ISOXAZOLE-5-CARBALDEHYDE

2-Methylquinoline-4-carboxylic acid

3-Methylquinoline-2-carboxylic acid

Desmethylmisonidazole

1,2-Propanediol,3-(2-nitro-1H-imidazol-1-yl)-

C274 - Antineoplastic Agent > C798 - Radiosensitizing Agent D011838 - Radiation-Sensitizing Agents D009676 - Noxae > D009153 - Mutagens

2-chloro-N-(1,3-dimethylpyrazol-4-yl)acetamide

1,2-Dihydro-7-Methyl-2-Oxo-3-Quinolinecarboxaldehyde

6-Chloro-4-methoxynicotinic acid

3,5-diamino-6-chloropyrazine-2-carboxamide

C5H6ClN5O (187.0261)

3-(Trifluoromethyl)phenyl isocyanate

7-Methyl-2-Quinolinecarboxylic Acid

2,4-Dihydroxy-5-phenylpyridine

5-Chloro-6-Methyl-2-Oxo-1,2-Dihydro-3-Pyridinecarboxylic Acid

Methyl 5-amino-2,4-difluorobenzoate

Methyl 2-amino-4,5-difluorobenzoate

2-Chloro-4-nitroanisole

2-Hydroxy-5-(trifluoromethyl)benzonitrile

2-chloro-N-(1,5-dimethylpyrazol-4-yl)acetamide

4-Quinolinylacetic acid

4-Chloro-6-Methoxy-pyridine-2-carboxylic acid

2-Chloro-3-ethynylquinoline

C11H6ClN (187.0189)

2(1H)-Quinolinone, 3-acetyl-

Thiazolo[4,5-h]quinazoline (9CI)

Benzenesulfonamide, 3-(hydroxymethyl)- (9CI)

6-chloro-2-fluoro-3-methylbenzamide

3-(Trifluoromethoxy)benzonitrile

(3-CHLORO-2-METHYL-PHENYL)-(4,5-DIHYDRO-THIAZOL-2-YL)-AMINE

2-Methylamino-3-nitro-6-chloropyridine

2-CHLORO-1-(1-ISOPROPYL-1H-1,2,4-TRIAZOL-5-YL)ETHANONE

2-Chloro-4-nitro-1,3-phenylenediamine

2-chloro-n-(2-fluorophenyl)acetamide

n-methylaniline-p-sulfonic acid

2-(ISOQUINOLIN-7-YL)ACETIC ACID

Sodium (2-aminophenyl)(oxo)acetate

C8H6NNaO3 (187.0245)

5-CYANOBENZOFURAN-2-CARBOXYLIC ACID

C10H5NO3 (187.0269)

2-Chloro-6-methoxypyridine-3-boronic acid

2,4-dimethylpyridine-3-carboxylic acid,hydrochloride

2-(Quinolin-6-yl)acetic acid

1H-Pyrazole-3-carboxylicacid,5-methoxy-4-nitro-(9CI)

C5H5N3O5 (187.0229)

3-Isoxazolecarbonyl chloride, 5-(2-methylpropyl)- (9CI)

2-Chloro-6-nitroanisole

(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-hydroxyiminoacetic acid

2,6-DIMETHYLISONICOTINIC ACID HYDROCHLORIDE

5,7-DIFLUORO-2(3H)-BENZOTHIAZOLONE

C7H3F2NOS (186.9903)

1-(3,5-difluoropyridin-2-yl)-2-methoxyethanone

4-Cyano-1H-pyrrolo[2,3-b]pyridine-3-carboxylic acid

2-AMINO-3-(METHYLSULFONYL)PHENOL

6-Cyano-1H-pyrrolo[3,2-b]pyridine-3-carboxylic acid

2-Methyl-3-quinolinecarboxylic acid

2-Chloro-4,5-dimethoxyaniline

6-methoxyquinoline-8-carbaldehyde

5-Chloro-4-methyl-3-nitro-2-pyridinamine

2-(2-BENZOTHIAZOLYL)-6-METHYLPHENOL

2-Pyridineethanesulfonicacid

2-(trifluoromethyl)-1H-imidazo[4,5-b]pyridine

5-Nitro-thiophene-3-carboxylic acid Methyl ester

(4-amino-2,3-difluorophenyl)acetic acid

5-FLUORO-1,2,3,4-TETRAHYDRO-QUINOLINE HYDROCHLORIDE

2-(ISOQUINOLIN-6-YL)ACETIC ACID

5-chloro-6-methyl-3-nitropyridin-2-amine

4-Methoxybenzenesulfonamide

2-(2-methyl-1-benzothiophen-3-yl)acetonitrile

6-Quinolinyl acetate

(S)-(-)-(3-CHLORO-2-HYDROXYPROPYL)TRIMETHYLAMMONIUM CHLORIDE

C6H15Cl2NO (187.0531)

1H-Pyrrole-2,5-dione,1-(3-methylphenyl)-

Methyl isoquinoline-4-carboxylate

3-Quinolinylacetic acid

1-BENZO[1,3]DIOXOL-5-YL-CYCLOPROPANECARBONITRILE

7-(trifluoromethyl)imidazo[1,2-c]pyrimidine

5(4H)-Oxazolone,2-methyl-4-(phenylmethylene)-

1-Benzylpyrrole-2,5-dione

1-methyl-2-oxoquinoline-4-carbaldehyde

2-Chloro-4,6-dimethoxyaniline

(5-CYANOBENZOFURAN-2-YL)BORONIC ACID

C9H6BNO3 (187.0441)

(2-CHLORO-5-METHOXYPYRIDIN-4-YL)BORONIC ACID

2-Chloro-4-methoxypyridine-3-boronic acid

(6-chloro-4-methoxypyridin-3-yl)boronic acid

(2-CHLORO-3-QUINOLINYL)METHANOL

1-METHYL-2-OXO-1,2-DIHYDROQUINOLINE-3-CARBALDEHYDE

1H-Pyrrolo[2,3-b]pyridine-2-carboxylic acid, 3-cyano-

3-CHLORO-5-METHOXYISONICOTINIC ACID

2,4-DIFLUORO-DL-PHENYLGLYCINE

1-(2-AMINO-4-CHLORO-5-FLUOROPHENYL)-ETHANONE

methyl 2-chloro-3-hydroxypyridine-4-carboxylate

4-Oxazolecarbonyl chloride, 2-(1,1-dimethylethyl)- (9CI)

4-aminobenzylphosphonic acid

C7H10NO3P (187.0398)

7-methoxyquinoline-3-carbaldehyde

(5,6-DIMETHYL-4-OXO-3,4-DIHYDRO-THIENO[2,3-D]PYRIMIDIN-2-YL)-ACETICACIDMETHYLESTER

1H-Imidazo[1,2-a]benzimidazole-2,3-dione(9CI)

3,4-Diamino-benzenesulfonamide

2,4-DIFLUORO MANDELIC ACID

C8H5F2O3 (187.0207)

5-METHYL-3-PHENYL-4-ISOXAZOLECARBALDEHYDE

1-(3-PHENYLISOXAZOL-5-YL)ETHANONE

4-(aminomethyl)benzoic acid hydrochloride

L-2-Thiolhistidine

2-Phenylthiopyridine

4-hydrazinylbenzamide,hydrochloride

4-(chloromethyl)-2-nitrophenol

Methyl 5-nitrothiophene-2-carboxylate

5,6,7,8-Tetrahydropyrido[3,4-d]pyrimidin-4(3H)-one hydrochloride

Pyrrolo[2,3-g]indazole-7,8-dione, 1,6-dihydro-

Methyl 2-amino-6-chloropyrimidine-4-carboxylate

4-Hydrazinobenzenesulfonamide

1-(5-amino-2-hydroxyphenyl)ethanone,hydrochloride

methyl 3-nitrothiophene-2-carboxylate

5-Chloro-6-methoxypicolinic acid

(Z)-4-BENZYLIDENE-2-METHYLOXAZOL-5(4H)-ONE

1-Amino-2-naphthoic acid

4-CHLORO-3-METHOXYPYRIDINE-2-CARBOXYLIC ACID?

4-(1H-Pyrrol-1-yl)benzoic acid

1-(2-AMINO-5-CHLORO-4-FLUOROPHENYL)-ETHANONE

4-(Trifluoromethoxy)benzonitrile

[1,3]thiazolo[4,5-g]quinazoline

4-nitro-1H-indole-3-carbonitrile

6-Methyl-2-oxo-1,2-dihydroquinoline-3-carbaldehyde

5-(Trifluoromethyl)isoindoline

Histamineα,α,β,β-d4 dihydrochloride

C5H7Cl2D4N3 (187.0581)

6-methoxy-2h-chromene-3-carbonitrile

(4-hydroxy-thiazol-2-yl)acetic acid ethyl ester

5-Chloro-2-nitrobenzyl alcohol

4-Pyridineethanesulfonic acid

1H-Isoindole-1,3(2H)-dione,2-(2-propen-1-yl)-

(4S)-(4-FLUOROPHENOXY)METHYLBUTYROLACTONE

methyl quinoline-3-carboxylate

1-(4-hydroxyphenyl)pyrrole-2-carbaldehyde

2-CHLOROMETHYL-4-NITROPHENOL

n-(chloroacetyl)-4-fluoroaniline

girard reagent p

4-Chloro-3-nitroanisole

(2-Chloro-4-nitrophenyl)methanol

3-Chloro-2-hydroxypropyltrimethylammonium chloride

C6H15Cl2NO (187.0531)

3-amino-2-cyano-5-trifluoromethylpyridine

(RS)-(2,6-Difluorophenyl)glycine

methyl 3-(3-oxoisothiazol-2(3H)-yl)propanoate

6-(trifluoromethyl)-1H-pyrazolo[4,3-c]pyridine

N-(2-Thienylmethyl)hydrazinecarbothioamide

N-(2-thienylmethyl)-1-hydrazinecarbothioamide

C6H9N3S2 (187.0238)

(1R,2S)-2-(4-fluorophenyl)cyclopropan-1-amine hydrochloride

2-Chloro-3,5-dimethoxyaniline

Beryllium chloride hexahydrate

BeCl2H12O6 (187.0133)

EXO-2-CHLORO-5-OXO-BICYCLO[2.2.1]HEPTANE-SYN-7-CARBOXYLIC ACID

C8H8ClO3 (187.0162)

Dimer acid, hydrogenated

2-(3-fluorophenyl)cyclopropanamine hydrochloride

N-(2,2,2-Trifluoro-1-methylethylidene)benzenamine

1-Amino-1-deoxy-L-arabinitol hydrochloride

C5H14ClNO4 (187.0611)

4-Hydroxy-2-methylthiazole-5-carboxylic acid ethyl ester

4-methyl-2-phenyl-1,3-oxazole-5-carbaldehyde

Methyl 2-chloro-5-hydroxyisonicotinate

3-(1-Cyanocyclopropyl)benzoic acid

4-Isoxazolecarbonyl chloride, 3-methyl-5-(1-methylethyl)- (9CI)

(2Z)-2-(furan-2-yl)-2-methoxyiminoacetyl chloride

2-Methyl-5-nitro-6-chlorophenol

5-Amino-1-naphthoic acid

5-Amino-3-(trifluoromethyl)picolinonitrile

4-chloro-6-methoxy-N,N-dimethylpyrimidin-2-amine

3-Azetidinyl methanesulfonate hydrochloride (1:1)

C4H10ClNO3S (187.007)

3-Methyl-1-nitronaphthalene

Guanine HCl

Guanine hydrochloride

C5H6ClN5O (187.0261)

5-Chloro-2-methoxyisonicotinic acid

N-Hydroxy-4-toluenesulfonamide

2,3-DIHYDRO-1,4-BENZODIOXIN-5-AMINE HYDROCHLORIDE

5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4(4aH)-one hydrochloride

(E)-METHYL 3-(4-CYANOPHENYL)ACRYLATE

2,4-DIOXO-1,2,3,4-TETRAHYDROQUINAZOLINE-8-CARBONITRILE

1-(4-Amino-3-chloro-5-fluoro-phenyl)-ethanone

1-AMINO-8-NAPHTHOIC ACID

ETHYL4-HYDROXY-5-METHYLTHIAZOLE-2-CARBOXYLATE

3-Methyl-6-isoquinolinecarboxylic acid

3-chloro-2,6-difluorophenylacetonitrile

C8H4ClF2N (187)

7-(trifluoromethyl)imidazo[1,2-a]pyrimidine

8-methoxyquinoline-2-carbaldehyde

Thiazolo[4,5-g]phthalazine (9CI)

Thiazolo[4,5-f]quinoxaline (8CI,9CI)

(2E)-3-(1H-Indol-7-yl)acrylic acid

p-Chloro-o-nitroanisole

N-(2,2,2-TRIFLUOROETHYLIDENE)BENZYLAMINE

2-Methyl-1-nitronaphthalene

2-(2-chloro-4-fluorophenyl)acetamide

1-Naphthohydroxamic acid

(S)-1-[3,5-BIS(TRIFLUOROMETHYL)PHENYL]ETHYLAMINEHCL

C7H10NO3P (187.0398)

3-(M-TOLYL)ISOXAZOLE-5-CARBALDEHYDE

5-Amino-4-chlorosalicylic acid

1-(3-Bromopropyl)pyrrole

C7H10BrN (186.9997)

1-METHYL-4-NITRONAPHTHALENE

AMINO-(3,5-DIFLUORO-PHENYL)-ACETIC ACID

4-phenyl-1h-pyrrole-3-carboxylic acid

Methyl (2E)-3-(4-cyanophenyl)acrylate

3-Chloro-4-nitroanisole

2-(Trifluoromethoxy)benzonitrile

(2-Chloro-5-nitrophenyl)methanol

Amino(3,4-difluorophenyl)acetic acid

6-Chloro-2-methoxynicotinic acid

8-FLUORO-1,2,3,4-TETRAHYDROISOQUINOLINE HCL

2-Fluoro-4-methylthio-1-nitrobenzene

C7H6FNO2S (187.0103)

2-CHLORO-5-METHYL-4-NITROPHENOL

4-(TRIFLUOROMETHYL)ISOINDOLINE

4-chloro-3-nitrobenzyl alcohol

(3-Chloro-2-nitrophenyl)methanol

5-Mercaptohistidine

(1R,4R,5S,6R)-4-Amino-2-oxabicyclo[3.1.0]hexane-4,6-dicarboxylic acid