Exact Mass: 190.9734

CONFIDENCE standard compound; INTERNAL_ID 167; DATASET 20200303_ENTACT_RP_MIX500; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 2378; ORIGINAL_PRECURSOR_SCAN_NO 2375 CONFIDENCE standard compound; INTERNAL_ID 167; DATASET 20200303_ENTACT_RP_MIX500; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 2383; ORIGINAL_PRECURSOR_SCAN_NO 2379 CONFIDENCE Reference Standard (Level 1); INTERNAL_ID 8451 INTERNAL_ID 8451; CONFIDENCE Reference Standard (Level 1)

5,6-Indolequinone-2-carboxylic acid

4,6-dichloropyrimidine-5-carboxamide

p-Chlorobenzenesulfonamide

4-chlorobenzene-1-sulfonamide

p-Chlorobenzenesulfonamide is a metabolite of chlorpropamide. Chlorpropamide is a drug in the sulfonylurea class used to treat type 2 diabetes mellitus. It is a long-acting 1st generation sulfonylurea. It has more side effects than other sulfonylureas and its use is no longer recommended. (Wikipedia)

3,4-Dichloronitrobenzene

1,2-Dichloro-4-nitrobenzene

2-(Trifluoromethyl)isonicotinic acid

2-(trifluoromethyl)pyridine-4-carboxylic acid

2,2,2-Trichloroethyl carbamate

2,2,2-Trichloroethyl carbamic acid

C3H4Cl3NO2 (190.9308)

1,4-Dichloro-2-nitrobenzene

2-Amino-4,6-dichloropyrimidine-5-carbaldehyde

Clopidol

3,5-dichloro-2,6-dimethyl-1,4-dihydropyridin-4-one

D000890 - Anti-Infective Agents > D000977 - Antiparasitic Agents > D000981 - Antiprotozoal Agents C254 - Anti-Infective Agent > C276 - Antiparasitic Agent > C277 - Antiprotozoal Agent

2,3-dioxo-L-gulonate

4,5,6-trihydroxy-2,3-dioxohexanoic acid

2,3-dioxo-l-gulonate belongs to sugar acids and derivatives class of compounds. Those are compounds containing a saccharide unit which bears a carboxylic acid group. 2,3-dioxo-l-gulonate is soluble (in water) and a moderately acidic compound (based on its pKa). 2,3-dioxo-l-gulonate can be found in a number of food items such as gram bean, oriental wheat, agave, and horseradish, which makes 2,3-dioxo-l-gulonate a potential biomarker for the consumption of these food products.

2-carboxy-L-xylonolactone

3,4-Dihydroxy-5-(hydroxymethyl)-2-oxooxolane-3-carboxylic acid

2-carboxy-l-xylonolactone belongs to sugar acids and derivatives class of compounds. Those are compounds containing a saccharide unit which bears a carboxylic acid group. 2-carboxy-l-xylonolactone is soluble (in water) and a moderately acidic compound (based on its pKa). 2-carboxy-l-xylonolactone can be found in a number of food items such as apricot, mentha (mint), allspice, and hedge mustard, which makes 2-carboxy-l-xylonolactone a potential biomarker for the consumption of these food products.

Clopidol

D000890 - Anti-Infective Agents > D000977 - Antiparasitic Agents > D000981 - Antiprotozoal Agents C254 - Anti-Infective Agent > C276 - Antiparasitic Agent > C277 - Antiprotozoal Agent CONFIDENCE standard compound; INTERNAL_ID 1183 CONFIDENCE standard compound; INTERNAL_ID 1083

2-Chlorobezenesulfonamide

2-Chlorobenzenesulfonamide

CONFIDENCE standard compound; INTERNAL_ID 263; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4090; ORIGINAL_PRECURSOR_SCAN_NO 4087 CONFIDENCE standard compound; INTERNAL_ID 263; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4088; ORIGINAL_PRECURSOR_SCAN_NO 4083 CONFIDENCE standard compound; INTERNAL_ID 263; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4105; ORIGINAL_PRECURSOR_SCAN_NO 4103 INTERNAL_ID 263; CONFIDENCE standard compound; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4105; ORIGINAL_PRECURSOR_SCAN_NO 4103 CONFIDENCE standard compound; INTERNAL_ID 263; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4095; ORIGINAL_PRECURSOR_SCAN_NO 4093 CONFIDENCE standard compound; INTERNAL_ID 263; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4178; ORIGINAL_PRECURSOR_SCAN_NO 4175 CONFIDENCE standard compound; EAWAG_UCHEM_ID 3260

4-Chlorobenzenesulfonamide

p-Chlorobenzenesulfonylamide

CONFIDENCE standard compound; EAWAG_UCHEM_ID 3259

2-Pyridinylmethanesulfonyl chloride

2,3-DIOXOINDOLINE-5-CARBOXYLIC ACID

sodium L-glutamate

l-Glutamic acid, N-coco acyl derivs., disodium salts

C5H7NNa2O4 (191.017)

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

Chlormethine hydrochloride

Mechlorethamine hydrochloride

C5H12Cl3N (191.0035)

D000970 - Antineoplastic Agents > D018906 - Antineoplastic Agents, Alkylating > D009588 - Nitrogen Mustard Compounds C274 - Antineoplastic Agent > C186664 - Cytotoxic Chemotherapeutic Agent > C2842 - DNA Binding Agent D009676 - Noxae > D011042 - Poisons > D002619 - Chemical Warfare Agents D009676 - Noxae > D000477 - Alkylating Agents D009676 - Noxae > D007509 - Irritants

3-amino-2,5,6-trifluorobenzoic acid

4-methylpyridine-2-sulfonyl chloride

2-CHLOROQUINOLINE-4-CARBOXALDEHYDE

(2,6-Dichloro-3-pyridinyl)boronic acid

2,4-Dichloronicotinic acid

(2,6-Dichloro-4-pyridinyl)boronic acid

3-Nitrobenzotrifluoride

3-chlorobenzenesulfonamide

Pyrrolidine, 1-(bromoacetyl)- (6CI,9CI)

C6H10BrNO (190.9946)

2-CHLOROISONICOTINIMIDAMIDE HYDROCHLORIDE

6-Chloronicotinimidamide hydrochloride

3-Thiophenesulfonamide,2,5-dimethyl-(9CI)

C6H9NO2S2 (191.0075)

2-Propynoic acid,3-(3-nitrophenyl)-

2-Chloro-3,4-difluorobenzamide

C7H4ClF2NO (190.9949)

(2-Chloro-1,3-thiazol-5-yl)methyl acetate

acetic acid,iron,hydrate

C4H7FeO5 (190.9643)

4-Bromo-5-fluoropyridin-2-ol

2-BROMO-5-FLUOROPYRIDINE 1-OXIDE

(2,5-Dichloro-4-pyridinyl)boronic acid

5-Pyrimidinamine,2,4-dichloro-N,N-dimethyl-

2,4-Dichloropyrimidine-5-carboxylic acid amide

3,4-Dichloro-2-pyridinecarboxylic acid

6-Methyl-3-pyridinesulfonyl chloride

ETHYL-PIPERIDIN-2-YLMETHYL-AMINE

3-Aminobenzenesulfonyl chloride

2-bromo-4-ethylthiazole

C5H6BrNS (190.9404)

Thieno[2,3-g]benzothiazole (8CI,9CI)

C9H5NS2 (190.9863)

Thieno[2,3-e]benzothiazole (8CI,9CI)

C9H5NS2 (190.9863)

Ethyl 2-chloro-1,3-thiazole-4-carboxylate

5-Bromo-6-fluoro-3-pyridinol

2-BROMO-4-FORMYLPIPERIDINE

C6H10BrNO (190.9946)

6-(Trifluoromethyl)nicotinic acid

2-chloroquinoline-6-carbaldehyde

2-chloro-4-fluoro-6-nitrophenol

C6H3ClFNO3 (190.9785)

4,5,6,7-TETRAHYDROTHIENO[3,2-C]PYRIDIN-2(3H)-ONE HYDROCHLORIDE

C7H10ClNOS (191.0172)

5H-[1,3]Dioxolo[4,5-f]indole-6,7-dione

4-(Aminomethyl)-2,6-dichlorophenol

5-nitrohexahydropyrimidine-2,4,6-trione hydrate

C4H5N3O6 (191.0178)

5,6,7,7a-Tetrahydrothieno[3,2-c]pyridine-2(4H)-one hydrochloride

C7H10ClNOS (191.0172)

5-(Trifluoromethyl)pyridine-3-carboxylic acid

5-[(2-methoxyethyl)thio]-1,3,4-thiadiazol-2-amine

C5H9N3OS2 (191.0187)

2,6-Dichloro-3-hydroxyisonicotinaldehyde

1-Chloro-5-isoquinolinecarbaldehyde

7-Chloro-2-quinolinecarbaldehyde

Sodium 5-nitroguaiacolate

C7H6NNaO4 (191.0195)

4,6-Dichloro-2-ethyl-5-pyrimidinamine

4-Bromo-5-nitro-1H-imidazole

C3H2BrN3O2 (190.933)

2,6-Dichloronicotinic acid

3-(Trifluoromethyl)pyridine-2-carboxylic acid

2,2,6-trifluoro-1,3-benzodioxol-5-amine

6-amino-2,4-dichloro-3-methylphenol

1-chloroisoquinoline-7-carbaldehyde

4-(Trifluoromethyl)-2-pyridinecarboxylic acid

2-CHLORO-5-FLUORO-4-NITRO-PHENOL

C6H3ClFNO3 (190.9785)

3-Chloroquinoline-2-carbaldehyde

4-broMo-6-fluoro-2(1H)-pyridinone

5-Amino-2-fluorobenzenesulfonic acid

C6H6FNO3S (191.0052)

1-(Difluoronitromethyl)-2-fluorobenzene

(R)-1-(3,5-dichloropyridin-4-yl)ethanol

2,5-Dichloropyridine-3-boronic acid

2,3-Dioxoindoline-7-carboxylic acid

1-Propanamine,2,3-dichloro-N,N-dimethyl-, hydrochloride (1:1)

C5H12Cl3N (191.0035)

3-(DIFLUOROMETHYL)[1,2,4]TRIAZOLO[3,4-B][1,3,4]THIADIAZOL-6-AMINE

C4H3F2N5S (191.0077)

2-Chloro-5-fluoro-3-nitropyridin-4-amine

C5H3ClFN3O2- (190.9898)

(5,6-dichloropyridin-3-yl)boronic acid

6-METHYL-PYRIDINE-2-SULFONYL CHLORIDE

5,6-Dichloropicolinic acid

3-Bromo-1H-1,2,4-triazole-5-carboxylic acid

C3H2BrN3O2 (190.933)

6-(Trifluoromethyl)picolinic acid

3,5-dichloropyrazine-2-carboxamide

Nitronium hexafluorophosphate

F6NO2P (190.9571)

(3,5,6-trifluoropyridin-2-yl)acetic acid

5-Chloro-4-fluoro-2-nitrophenol

C6H3ClFNO3 (190.9785)

5-Methyl-2-pyridinesulfonyl chloride

3-Chloro-N-(2-chloroethyl)-1-propanamine hydrochloride

C5H12Cl3N (191.0035)

5-Bromo-4-methyl-3-isoxazolemethanol

C5H6BrNO2 (190.9582)

5-sulfamoylfuran-2-carboxylic acid

C5H5NO5S (190.9888)

2-methylpyridine-4-carbonyl chloride,hydrochloride

2-bromo-5-fluoropyridin-3-ol

(2,3-EPOXYPROPYL)BENZENE

(3-amino-2,6-dichlorophenyl)methanol

O-[(2,4-dichlorophenyl)methyl]hydroxylamine

n-fluoro-4-methylpyridinium-2-sulfonate

C6H6FNO3S (191.0052)

2,5-Dichloroisonicotinic acid

3-AMINO-4-FLUOROBENZOIC ACID HYDROCHLORIDE

C7H7ClFNO2 (191.0149)

5-METHYL-2-(TRIFLUOROMETHYL)-3-FURYL ISOCYANATE

4,5-dichloropicolinic acid

4-Pyridazinecarboxamide,3,6-dichloro-

2-Chloro-3,6-difluorobenzamide

C7H4ClF2NO (190.9949)

Glutamate Sodium

C5H7NNa2O4 (191.017)

5-Ethyl-2-thiophenesulfonamide

C6H9NO2S2 (191.0075)

4-bromo-3-nitro-1H-pyrazole

C3H2BrN3O2 (190.933)

6-nitrocoumarin

6-Nitro-4H-chromen-4-one

4-PYRIMIDINAMINE, 2,6-DICHLORO-5-ETHYL-

2-tert-Butyl-5-chloro-1,2-thiazol-3(2H)-one

C7H10ClNOS (191.0172)

Benzoic acid, 2-amino-3,4,5-trifluoro- (9CI)

2,5-Didehydro-D-gluconate

Conjugate base of 2,5-didehydro-D-gluconic acid.

2,3-Diketo-L-gulonate

Galactaro-1,5-Lactone

D-glucaro-1,5-lactone(1-)

Glucaro-1,4-lactone

Galactaro-1,4-lactone

2-carboxy-L-lyxonolactone

Phosphoryl-creatinine

C4H6N3O4P-2 (191.0096)

2-Amino-5-chloromuconic acid

C6H6ClNO4 (190.9985)

(2E,4E)-2-amino-5-chlorohexa-2,4-dienedioic acid

C6H6ClNO4 (190.9985)

D-galactaro-1,4-lactone(1-)

3-Carboxy-2-(carboxymethyl)-2-hydroxypropanoate

A citrate(1-) that is the conjugate acid of 2-(carboxymethyl)-2-hydroxysuccinate.

3,4-Dicarboxy-3-hydroxybutanoate

A citrate(1-) that is the conjugate acid of 2-(carboxymethyl)-2-hydroxysuccinate.

D-glucaro-1,4-lactone(1-)

Dihydrogen isocitrate

5-dehydro-4-deoxy-D-glucarate(1-)

(4R,5S)-2,4-dihydroxy-5-(hydroxymethyl)-3-oxooxolane-2-carboxylate

3,6-Dichloropicolinic acid

D-galactaro-1,5-lactone(1-)

C6H7O7 (191.0192)

A carbohydrate acid anion that is the conjugate base of D-galactaro-1,5-lactone, obtained by deprotonation of the carboxy group; major species at pH 7.3.

isocitrate(1-)

C6H7O7 (191.0192)

indole-5,6-quinone-2-carboxylic acid

An indoledione that is 1H-indole-5,6-dione substituted by a carboxy group at position 2.

2,3-Diketogulonate

C6H7O7 (191.0192)

A dioxo monocarboxylic acid anion that is the conjugate base of 2,3-diketogulonic acid, and the major species at pH 7.3.

Indolequinonecarboxylic acid

3-Nitrocoumarin