Exact Mass: 198.0248

4,5-Dihydroxyphthalate

4,5-DIHYDROXYPHTHALIC ACID

3-Dechloroethylifosfamide

N-(2-Chloroethyl)-2-oxo-1,3,2$l^{5}-oxazaphosphinan-2-amine

C5H12ClN2O2P (198.0325)

3-Dechloroethylifosfamide is an inactive metabolite of the antitumour, alkylating drug Ifosfamide. It is a member of the compound class called oxazaphosphorines Oxazaphosphorines are any saturated six-membered heterocycle containing three carbon atoms and one each of oxygen, nitrogen and phosphorus, especially one in which the phosphorus atom is linked to both the nitrogen and oxygen atoms. It is formed from its side-chain oxidation leading to the liberation of chloroacetaldehyde (PMID: 9054957). 3-dechloroethylifosfamide can be biosynthesized from ifosfamide through the action of several CYP450 enzymes including CYP3A4, CYP3A5, and CYP2B6 (PMID: 15875221). The duration of ifosfamide infusion influences the amount of 3-dechloroethylifosfamide that is produced (PMID: 11408362). 3-dechloroethylifosfamide is only found in individuals who have consumed or received the drug Ifosfamide. D000970 - Antineoplastic Agents > D018906 - Antineoplastic Agents, Alkylating > D009588 - Nitrogen Mustard Compounds D000970 - Antineoplastic Agents > D018906 - Antineoplastic Agents, Alkylating > D010752 - Phosphoramide Mustards

2-Dechloroethylifosfamide

2-Amino-3-(2-chloroethyl)tetrahydro-2H-1,3,2-oxazophosphorine-2-O-xide

C5H12ClN2O2P (198.0325)

2-Dechloroethylifosfamide is a metabolite of the antitumor, alkylating drug Ifosfamide. 2-dechloroethylifosfamide is a member of the compound class known as oxazaphosphorines. Oxazaphosphorines are any saturated six-membered heterocycle containing three carbon atoms and one each of oxygen, nitrogen and phosphorus, especially one in which the phosphorus atom is linked to both the nitrogen and oxygen atoms. 2-dechloroethylifosfamide can be biosynthesized from ifosfamide through the action of cytochrome P450 enzymes including CYP3A4, CYP3A5, and CYP2B6 (PMID: 15875221). 2-dechloroethylifosfamide is only found in individuals who have consumed or received the drug Ifosfamide. D000970 - Antineoplastic Agents > D018906 - Antineoplastic Agents, Alkylating > D009588 - Nitrogen Mustard Compounds D000970 - Antineoplastic Agents > D018906 - Antineoplastic Agents, Alkylating > D010752 - Phosphoramide Mustards

Naphthalic anhydride

1,8-Naphthalic anhydride

2,4-DINITROANISOLE

1-Methoxy-2,4-dinitrobenzene

4,6-Dinitro-O-cresol

4,6-Dinitro-O-cresol, potassium salt

CONFIDENCE standard compound; INTERNAL_ID 230; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4289; ORIGINAL_PRECURSOR_SCAN_NO 4287 CONFIDENCE standard compound; INTERNAL_ID 230; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4380; ORIGINAL_PRECURSOR_SCAN_NO 4377 CONFIDENCE standard compound; INTERNAL_ID 230; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4288; ORIGINAL_PRECURSOR_SCAN_NO 4286 CONFIDENCE standard compound; INTERNAL_ID 230; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4314; ORIGINAL_PRECURSOR_SCAN_NO 4311 CONFIDENCE standard compound; INTERNAL_ID 230; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4293; ORIGINAL_PRECURSOR_SCAN_NO 4289 CONFIDENCE standard compound; INTERNAL_ID 230; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4281; ORIGINAL_PRECURSOR_SCAN_NO 4279 D004791 - Enzyme Inhibitors > D014475 - Uncoupling Agents D010575 - Pesticides > D006540 - Herbicides D016573 - Agrochemicals

2-Chloro-DG

3-chloro-6-(hydroxymethyl)oxane-2,4,5-triol

2,4-Dinitroanisole

2,4-Dinitrophenyl methyl ether

4-Azidobenzenesulfonamide

(4-Azidophenyl)(hydroxy)imino--sulphanone

Pentafluorophenylhydrazine

(2,3,4,5,6-pentafluorophenyl)hydrazine

4-maleyl-acetoacetate

4,6-dioxooct-2-enedioic acid

4-maleyl-acetoacetate is slightly soluble (in water) and a moderately acidic compound (based on its pKa). 4-maleyl-acetoacetate can be found in a number of food items such as grass pea, vanilla, burdock, and pomegranate, which makes 4-maleyl-acetoacetate a potential biomarker for the consumption of these food products.

A hydroxybenzoic acid that is isophthalic acid (benzene-1,3-dicarboxylic acid) in which the hydrogens at positions 4 and 5 have been replaced by hydroxy groups. An inhibitor of brain glutamate decarboxylase.

4-Oxo-4H-pyran-2,6-dicarboxylic acid 2-methyl ester

Naphtho[1,2-b]furan-4,5-dione

2,4,5-Trioxy-phenylglyoxylsaure

3,5-Dihydroxyphthalic acid

Puberulic acid

2,5-Dihydroxyterephthalic acid

Dinitro-ortho-cresol

4,6-Dinitro-O-cresol

D004791 - Enzyme Inhibitors > D014475 - Uncoupling Agents D010575 - Pesticides > D006540 - Herbicides D016573 - Agrochemicals CONFIDENCE standard compound; EAWAG_UCHEM_ID 3120

Dinitrocresol

Dinitro-ortho-cresol

1,3,4-Thiadiazolidine-2-sulfonamide,5-(methylamino)-(9CI)

C3H10N4O2S2 (198.0245)

5-(chloromethyl)furo[2,3-d]pyrimidine-2,4-diamine

(3,4-dinitrophenyl)methanol

Phenol,4-(1,3-dithiolan-2-yl)-

C9H10OS2 (198.0173)

(2-methylsulfanylphenyl)thiourea

C8H10N2S2 (198.0285)

4,6-Dihydroxyisophthalic acid

Pentafluorophenylhydrazine

(Pentafluorophenyl)hydrazine

meso-Butane-1,2,3,4-tetracarboxylic dianhydride

N,2-Dihydroxy-5-nitrobenzamide

Indazole-5-carboxylic acid hydrochloride

2-fluoro-4-(methoxycarbonyl)benzoic acid

C9H7FO4 (198.0328)

6-fluoro-4h-1,3-benzodioxine-8-carboxylic acid

C9H7FO4 (198.0328)

Methyl 6-hydroxy-5-nitronicotinate

Potassium trifluoro(4-methylphenyl)borate(1-)

1H-Imidazo[4,5-b]pyridine-6-sulfonamide(7CI)

Imidazo[1,2-a]pyridine-8-carboxylic acid hydrochloride

1-(6-chloro-5H-imidazo[2,1-b][1,3]oxazin-3-yl)ethanone

1H-Benzotriazole-4-sulfonamide(9CI)

Naphtho[1,2-c]furan-1,3-dione

6-CHLORO-6-DEOXY-ALPHA-D-GLUCOPYRANOSE

1H-Indazole-5-carboxylic acid

3-Chloro-3-deoxy-D-glucose

N-(3-CHLORO-PHENYL)-2-[(E)-HYDROXYIMINO]-ACETAMIDE

3-FLUORO-5-(METHOXYCARBONYL)BENZOIC ACID

C9H7FO4 (198.0328)

IMIDAZO[1,2-A]PYRIDINE-5-CARBOXYLIC ACID HYDROCHLORIDE

5-NITRO-2-PYRIDINYL ESTER CARBAMIMIDOTHIOIC ACID

Imidazo[1,2-A]Pyridine-2-Carboxylic Acid Hydrochloride

(3,4-DIMETHOXY-BENZYL)-PHOSPHONICACIDDIETHYLESTER

C9H10OS2 (198.0173)

Tetrahydro-3,3-bifuran-2,2,5,5-tetrone

5,6-Difluoro-1H-indazole-3-carboxylic acid

C8H4F2N2O2 (198.0241)

2-PYRIDYLDITHIOCARBAMIC ACID ETHYL ESTER

C8H10N2S2 (198.0285)

6-Methoxy-5-nitropicolinic acid

1,1-Sulfonyldiimidazole

Methyl 4-hydroxy-5-nitronicotinate

2,6-Dinitro-p-cresol

2-chloro-6-fluorobenzylideneacetone

C10H8ClFO (198.0248)

Cantabiline sodium

C10H7NaO3 (198.0293)

2,3-dihydroxyterephthalic acid

4-Amino-7H-pyrrolo[2,3-d]pyrimidine-2-sulfinic acid

6,8-DIHYDROXY-2-METHYLMERCAPTOPURINE

Potassium trifluoro(2-methylphenyl)borate(1-)

1,7-DIMETHYL-2-CHLORO-6-OXO-PURINE

3-methoxycarbonyl-5-nitro-2(1h)-pyridinone

2-Methoxy-5-nitro-nicotinic acid

7-Chloro-3-(2-hydroxyethyl)-1H-pyrazolo[4,3-d]pyrimidine

6-bromo-2-(3-fluorophenyl)imidazo[1,2-a]pyrimidine

3,5-difluoro-4-(trifluoromethyl)pyridin-2-amine

2-chloro-2-deoxy-d-glucose

2H-benzotriazole-5-sulfonamide

(2,4-Dinitrophenyl)methanol

Potassium (3-methylphenyl)trifluoroborate

1-(2-CHLORO-ACETYL)-3-CYCLOHEXYL-UREA

C6H12Cl2N2O (198.0327)

5-Acetyl-2-chlorobenzeneboronic acid

C8H8BClO3 (198.0255)

Potassium benzyl(trifluoro)borate(1-)

2,2-Dichlorohexanoic acid

C7H12Cl2O2 (198.0214)

2-METHYL-1-(1-METHYL-1H-IMIDAZOL-2-YL)PROPYL]AMINE

1,2-Benzenedicarboxylicacid, 3,6-dihydroxy-

5-METHOXY-6-NITROPICOLINIC ACID

4-Methylpiperazine-1-sulfonyl chloride

C5H11ClN2O2S (198.023)

3,5-DINITROBENZYL ALCOHOL

3,5-Dinitroanisole

2,3-Naphthalenedicarboxylic Anhydride

2-Amino-3,6-difluoro-4-(trifluoromethyl)pyridine

4-Methyl-1-piperazinecarbonyl chloride hydrochloride

C6H12Cl2N2O (198.0327)

6-chloro-6-deoxy-D-glucose

Polyquaternium-10

3-(Methylthio)-6,7-dihydrobenzo[c]thiophen-4(5H)-one

C9H10OS2 (198.0173)

4-Azidobenzenesulfonamide

D000890 - Anti-Infective Agents > D013424 - Sulfanilamides

4-Maleylacetoacetate

4-fumarylacetoacetate(2-)

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(3S,4R)-3,4-Dihydroxycyclohexa-1,5-diene-1,4-dicarboxylate

5-Carboxymethyl-2-hydroxymuconate semialdehyde

1-deoxy-1-imino-D-erythrose 4-phosphate

C4H9NO6P- (198.0167)

cis-4,5-Dihydroxycyclohexa-1(6),2-diene-1,2-dicarboxylate

(2E)-3-methyl-4,6-dioxohept-2-enedioate

(2E)-2-methyl-4,6-dioxohept-2-enedioate

cis-3,4-Dihydroxycyclohexa-1(6),2-diene-1,2-dicarboxylate

(2Z)-2-methyl-4,6-dioxohept-2-enedioate

2-Hydroxy-3-carboxy-6-oxo-hepta-2,4-dienoate

5-Formyl-2-hydroxyhepta-2,4-dienedioate

2,3-dideoxy-beta-D-ribose 5-phosphate

C5H11O6P (198.0293)

A 2,3-dideoxyribose phosphate that is the 2,3-dideoxy analogue of beta-D-ribofuranose 5-phosphate.

5-Sulooxypentanoic acid

C5H10O6S (198.0198)

2-Sulooxypentanoic acid

C5H10O6S (198.0198)

2-(Sulooxymethyl)butanoic acid

C5H10O6S (198.0198)

(2S)-2-[(4R)-2-hydroxy-2-oxo-1,3,2lambda5-dioxaphospholan-4-yl]propane-1,2-diol

C5H11O6P (198.0293)

1,1-Dimethoxy-2,4-dichloro-3-methylenebutane

C7H12Cl2O2 (198.0214)

1,8-Naphthalic anhydride

4,5-DIHYDROXYPHTHALIC ACID

3,4-Dihydroxyphthalic acid

4-Maleylacetoacetate