Exact Mass: 187.0719

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

Amrinone

3-amino-5-(pyridin-4-yl)-1,2-dihydropyridin-2-one

Amrinone is only found in individuals that have used or taken this drug. It is a type 3 pyridine phosphodiesterase inhibitor. It is used in the treatment of congestive heart failure.Amrinone is a phosphodiesterase inhibitor (PDE3), resulting in increased cAMP and cGMP which leads to an increase in the calcium influx like that caused by beta-agonists resulting in increased inotropic effect.

Amrinone

C - Cardiovascular system > C01 - Cardiac therapy > C01C - Cardiac stimulants excl. cardiac glycosides > C01CE - Phosphodiesterase inhibitors D004791 - Enzyme Inhibitors > D010726 - Phosphodiesterase Inhibitors > D058987 - Phosphodiesterase 3 Inhibitors C78274 - Agent Affecting Cardiovascular System > C29707 - Vasodilating Agent D002317 - Cardiovascular Agents > D002121 - Calcium Channel Blockers D002317 - Cardiovascular Agents > D014665 - Vasodilator Agents C471 - Enzyme Inhibitor > C744 - Phosphodiesterase Inhibitor D020011 - Protective Agents > D002316 - Cardiotonic Agents D000077264 - Calcium-Regulating Hormones and Agents D049990 - Membrane Transport Modulators

4-Fluoro-4-biphenylamine

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.

6-Fluoropyridoxol

6-fluoro-4,5-bis(hydroxymethyl)-2-methylpyridin-3-ol

C8H10FNO3 (187.0645)

alpha-Monofluoromethyl histidine

2-azaniumyl-3-fluoro-2-[(1H-imidazol-5-yl)methyl]propanoate

C7H10FN3O2 (187.0757)

Fluoromethylhistidine

2-[(fluoromethyl)amino]-3-(3H-imidazol-4-yl)propanoic acid

C7H10FN3O2 (187.0757)

Makaluvamine I

D000970 - Antineoplastic Agents > D059003 - Topoisomerase Inhibitors > D059005 - Topoisomerase II Inhibitors D004791 - Enzyme Inhibitors

Caulibugulone E

N-Methylquinolinium-2-carboxylate

3-Indoleacrylic acid

Indole-3-acrylic acid

trans-3-Indoleacrylic acid is an endogenous metabolite.

metamitron-desamino

3-methyl-6-phenyl-1,2,4-triazin-5(4H)-one

A member of the class of 1,2,4-triazines that is metamitron in which the amino group has been replaced by a hydrogen atom. It is a metabolite of metamitron. CONFIDENCE standard compound; EAWAG_UCHEM_ID 4 EAWAG_UCHEM_ID 4; CONFIDENCE standard compound CONFIDENCE standard compound; INTERNAL_ID 2064

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

N-(2-oxothiolan-3-yl)butanamide

1-methylquinolin-1-ium-2-carboxylate

Indoleacrylic acid

3-Indoleacrylic acid

trans-3-Indoleacrylic acid is an endogenous metabolite.

Metamitron desamino

3-methyl-6-phenyl-1,2,4-triazin-5(4H)-one

CONFIDENCE Reference Standard (Level 1); INTERNAL_ID 82

4-Fluoro-4-aminodiphenyl

CONFIDENCE standard compound; INTERNAL_ID 1012; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 7728; ORIGINAL_PRECURSOR_SCAN_NO 7723 CONFIDENCE standard compound; INTERNAL_ID 1012; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 7766; ORIGINAL_PRECURSOR_SCAN_NO 7763

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

N-butyryl-L-Homocysteine thiolactone

N-[(3S)-tetrahydro-2-oxo-3-thienyl]-butanamide

2-PHENOXY-N-METHYLETHYLAMINEHYDROCHLORIDE

4-(PYRIDIN-2-YLOXY)PHENOL

3-Hydrazinylpiperidine dihydrochloride

C5H15Cl2N3 (187.0643)

Boronic acid, (5-amino-1-naphthalenyl)- (9CI)

2-Methylquinoline-6-carboxylicacid

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

4-Fluoro-3-biphenylamine

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

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

1-PHENYLPIPERAZIN-2-ONE

4-Methylquinoline-2-carboxylic acid

p Tolylmaleimide

6-methoxyquinoline-3-carbaldehyde

6-Methylquinoline-3-carboxylic acid

(5-(CYCLOPROPYLETHYNYL)PYRIDIN-3-YL)BORONIC ACID

2-METHYL-INDOLIZINE-1,3-DICARBALDEHYDE

Pyrimido[1,2-a]benzimidazol-2(1H)-one, 3,4-dihydro- (8CI,9CI)

5-(6-Methoxy-3-pyridinyl)pyrimidine

2-Furancarboxamide,N-phenyl-

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

N-quinoxalin-2-ylacetamide

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

2-phenylmethoxyethanamine,hydrochloride

Methyl quinoline-6-carboxylate

(2-METHYL-CYCLOPENTYL)-ACETICACID

methyl l-2-isothiocyanato-4-methylvalerate

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

4-(1H-1,2,4-TRIAZOL-1-YLMETHYL)BENZALDEHYDE

Benzenemethanamine, 4-(difluoromethoxy)-α-methyl-, (αR)-

2-P-TOLYL-OXAZOLE-4-CARBALDEHYDE

6-METHYL-2-(PYRIDIN-4-YL)PYRIMIDIN-4(3H)-ONE

6-AMINO-2-NAPHTHOIC ACID

4-Methoxy-N-methylbenzylamine hydrochloride

4-(2-Fluoro-1-fluoromethyl-ethoxy)-aniline

2-methylquinoline-8-carboxylic acid

4-(methylamino)quinazoline-6-carbaldehyde

3-amino-5-phenyl-1H-pyrazin-2-one

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

4-Amino-1-naphthoic acid

2-(1,2,4-triazol-1-ylmethyl)benzaldehyde

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

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

Methyl 5-quinolinecarboxylate

2-(QUINOLIN-7-YL)ACETIC ACID

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

Halostachine HCI

(R)-1-(4-Methoxyphenyl)ethanamine hydrochloride

(S)-1-(4-METHOXYPHENYL)ETHANAMINE HYDROCHLORIDE

3-(4-AMINOPHENYL)PROPAN-1-OL HYDROCHLORIDE

6-((1H-IMIDAZOL-1-YL)METHYL)PICOLINALDEHYDE

Methyl quinoline-7-carboxylate

ETHANONE, 1-PHENYL-2-(1H-1,2,4-TRIAZOL-1-YL)-

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

1H-Pyrazole-3-carboxamide, 5-phenyl

Methyl isoquinoline-3-carboxylate

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

Methyl .alpha.-cyanocinnamate

2-Amino-6-phenylpyrimidin-4(3H)-one

Benzeneethanamine,3-methoxy-, hydrochloride (1:1)

Pyrido[4,3:4,5]pyrrolo[1,2-a]pyrazin-1(2H)-one, 3,4-dihydro- (9CI)

2-isoquinolin-1-ylacetic acid

Benzeneethanamine, beta-methoxy-, hydrochloride

2-(QUINOLIN-8-YL)ACETIC ACID

8-methylquinoline-4-carboxylic acid

4-[2-(Methylamino)ethyl]phenol hydrochloride

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

Phenethylamine, p-methoxy-, hydrochloride

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

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

C6H10ClN5 (187.0625)

2-(4-fluorophenyl)-3-methylpyridine

2-(4-FLUORO-PHENYL)-4-METHYL-PYRIDINE

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

QUINOLINE-5-CARBOXYLIC ACID HYDRAZIDE

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

8-METHYL-QUINOLINE-3-CARBOXYLIC ACID

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

2-(4-fluorophenyl)-5-methylpyridine

2-(4-fluorophenyl)-6-methylpyridine

3-Fluoro-4-biphenylamine

8-Quinolinyl acetate

4-Fluoro-2-biphenylamine

1-(4-Methoxyphenyl)ethylamine Hydrochloride

3-METHYL-5-PHENYL-4-ISOXAZOLECARBALDEHYDE

(2Z)-3-Thiomorpholinylideneacetic acid ethyl ester

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

6-Methoxy-4-quinolinecarbaldehyde

7-ACETYLBENZOFURAN

2-Hydroxy-3-naphtoamide

Quinacetol sulfate

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

4-(1-Aminopropan-2-yl)phenol hydrochloride

2-Acetamido-1,5-naphthyridine

Benzenamine, 3-(pyrazinyloxy)- (9CI)

Methyl 4-quinolinecarboxylate

Quinolin-2-ylacetic acid

2-(1H-IMIDAZOL-1-YL)BENZENECARBOXAMIDE

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

2-Methylquinoline-4-carboxylic acid

3-Methylquinoline-2-carboxylic acid

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

7-Methyl-2-Quinolinecarboxylic Acid

4-fluoro-N-phenylaniline

2,4-Dihydroxy-5-phenylpyridine

ethyl 2-isothiocyanato-3-methyl-butanoate

4-ISOPROPOXY-PHENYLAMINE HYDROCHLORIDE

4-Quinolinylacetic acid

Methyl 6-isothiocyanatohexanoate

1-[4-(1H-1,2,4-TRIAZOL-1-YL)PHENYL]ETHANONE

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

1-(2-BUTENOYL)-1H-BENZOTRIAZOLE

2-(ISOQUINOLIN-7-YL)ACETIC ACID

2-(Quinolin-6-yl)acetic acid

4-(4-PYRIDYL)-1-BUTANOL HYDROCHLORIDE

2-Methyl-3-quinolinecarboxylic acid

6-amino-2-phenyl-1H-pyrimidin-4-one

6-methoxyquinoline-8-carbaldehyde

isoquinoline-4-carbohydrazide

2-(1,3,2-Dioxaborinan-2-yl)benzonitrile

2-(ISOQUINOLIN-6-YL)ACETIC ACID

isoquinoline-1-carbohydrazide

6-Quinolinyl acetate

3-fluoro-N-phenylaniline

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

ASISCHEM R03296

Methyl isoquinoline-4-carboxylate

3-Quinolinylacetic acid

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

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

1-Benzylpyrrole-2,5-dione

2-(4-Methylphenoxy)ethanamine hydrochloride (1:1)

2-(3-Methylphenoxy)ethylamine

1-methyl-2-oxoquinoline-4-carbaldehyde

6-pyridin-3-yloxypyridin-3-amine

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

1H-Benzimidazole,2-(4,5-dihydro-2-oxazolyl)-(9CI)

2-Dimethylaminomethyl-4,5-difluoro-phenol

7-methoxyquinoline-3-carbaldehyde

1-(3-Methoxyphenyl)ethylamine Hydrochloride

2-amino-3-(2,4-difluorophenyl)propan-1-ol

4-METHYL-1-CYCLOHEXEN-1-YLBORONICACID

C7H13N3OS (187.0779)

5-METHYL-3-PHENYL-4-ISOXAZOLECARBALDEHYDE

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

DL-Norephedrine hydrochloride

1R,2S-(-)-Norephedrine hydrochloride