Exact Mass: 197.9859396

Exact Mass Matches: 197.9859396

Found 451 metabolites which its exact mass value is equals to given mass value 197.9859396, within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error 0.01 dalton.

3,4-Dihydroxyphthalate

3,4-Dihydroxyphthalic acid

C8H6O6 (198.01643760000002)

4,5-Dihydroxyphthalate

4,5-DIHYDROXYPHTHALIC ACID

C8H6O6 (198.01643760000002)

Phosphoenol-4-deoxy-3-tetrulosonate

2-hydroxy-3-phosphonooxybut-3-enoic acid

C4H7O7P (197.9929402)

2,4,5-trichlorocyclohexa-2,5-dien-1-ol

1-Hydroxyl-2,4,5-trichloro-2,5-cyclohexadiene

C6H5Cl3O (197.94059700000003)

2-Oxopropyl-CoM

2-(2-Oxopropylthio)ethanesulfonate

C5H10O4S2 (198.00205)

3-Dechloroethylifosfamide

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

C5H12ClN2O2P (198.0324892)

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 (198.0324892)

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

C12H6O3 (198.0316926)

2,4-DINITROANISOLE

1-Methoxy-2,4-dinitrobenzene

C7H6N2O5 (198.0276706)

4,6-Dinitro-O-cresol

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

C7H6N2O5 (198.0276706)

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

1-BROMO-2-PHENYLPROPANE

C9H11Br (198.00440659999998)

Dihydroxyacetone Phosphate Acyl Ester

Dihydroxyacetone phosphoric acid acyl ester

C4H7O7P (197.9929402)

1-acylglycerone 3-phosphate is found in the glycerophospholipid metabolism and ether lipid metabolism pathways. In the glycerophospholipid metabolism pathway, 1-acylglycerone 3-phosphate is created from glycerone phosphate, a reaction catalyzed by glyceronephosphate O-acyltransferase [EC:2.3.1.42]. 1-acylglycerone 3-phosphate is then converted to 1-acyl-sn-3-glycercol-phosphate or enters ether lipid metabolism. The conversion to 1-acyl-sn-3-glycercol-phosphate is catalyzed by 1-acylglycerone phosphate reductase [EC:1.1.1.101]. Within the ether lipid metabolism pathway, 1-acylglycerone 3-phosphate is converted to 1-alkyl-glycerone-3-phosphate through the action of alkyldihydroxyacetonephosphate synthase [EC:2.5.1.26]. 1-acylglycerone 3-phosphate is found in the glycerophospholipid metabolism and ether lipid metabolism pathways.

(±)-Sulfobutanedioic acid

Thiosuccinic acid, monoammonium salt

C4H6O7S (197.9834246)

(±)-Sulfobutanedioic acid is present in can-end cements. Present in can-end cements

1-Iodopentane

C5H11I (197.9905476)

2-Chloro-DG

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

C6H11ClO5 (198.0294986)

1H,1'H-2,2'-Disulfanediyl-bis-imidazole

2-(1H-imidazol-2-yldisulfanyl)-1H-imidazole

C6H6N4S2 (198.0033876)

2,4-Dinitroanisole

2,4-Dinitrophenyl methyl ether

C7H6N2O5 (198.0276706)

4-Azidobenzenesulfonamide

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

C6H6N4O2S (198.0211456)

Pentafluorophenylhydrazine

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

C6H3F5N2 (198.0216378)

7-Aminobenzo[d]isothiazol-3(2H)-one 1,1-dioxide

7-amino-2,3-dihydro-1lambda6,2-benzothiazole-1,1,3-trione

C7H6N2O3S (198.00991259999998)

4-maleyl-acetoacetate

4,6-dioxooct-2-enedioic acid

C8H6O6 (198.01643760000002)

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

C8H6O6 (198.01643760000002)

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

C12H6O3 (198.0316926)

Phenylacetyl bromide

C8H7BrO (197.9680232)

2,4,5-Trioxy-phenylglyoxylsaure

C8H6O6 (198.01643760000002)

3,5-Dihydroxyphthalic acid

C8H6O6 (198.01643760000002)

Puberulic acid

C8H6O6 (198.01643760000002)

2,5-Dihydroxyterephthalic acid

C8H6O6 (198.01643760000002)

Sodium ascorbate

Sodium ascorbate; Sodium (2R)-2-[(1S)-1,2-dihydroxyethyl]-4-hydroxy-5-oxo-2,5-dihydrofuran-3-olate

C6H7O6.Na (198.0140322)

Minute crystals or white powder. pH of aqueous solutions 5.6 to 7.0 or even higher (a 10\\\\% solution, made from a commercial grade, may have a pH of 7.4 to 7.7). (NTP, 1992) Sodium ascorbate is an organic sodium salt resulting from the replacement of the proton from the 3-hydroxy group of ascorbic acid by a sodium ion. It has a role as a food antioxidant, a flour treatment agent, a coenzyme, a plant metabolite, a human metabolite, a Daphnia magna metabolite and a reducing agent. It is an organic sodium salt and a vitamin C. It contains a L-ascorbate. A six carbon compound related to glucose. It is found naturally in citrus fruits and many vegetables. Ascorbic acid is an essential nutrient in human diets, and necessary to maintain connective tissue and bone. Its biologically active form, vitamin C, functions as a reducing agent and coenzyme in several metabolic pathways. Vitamin C is considered an antioxidant. See also: Ascorbic Acid (has active moiety) ... View More ... An organic sodium salt resulting from the replacement of the proton from the 3-hydroxy group of ascorbic acid by a sodium ion. D020011 - Protective Agents > D000975 - Antioxidants D018977 - Micronutrients > D014815 - Vitamins L-Ascorbic acid sodium salt (Sodium ascorbate), an electron donor, is an endogenous antioxidant agent. L-Ascorbic acid sodium salt selectively inhibits Cav3.2 channels with an IC50 of 6.5 μM. L-Ascorbic acid sodium salt is also a collagen deposition enhancer and an elastogenesis inhibitor[1][2][3]. L-Ascorbic acid sodium salt (Sodium ascorbate), an electron donor, is an endogenous antioxidant agent. L-Ascorbic acid sodium salt selectively inhibits Cav3.2 channels with an IC50 of 6.5 μM. L-Ascorbic acid sodium salt is also a collagen deposition enhancer and an elastogenesis inhibitor[1][2][3].

Dinitro-ortho-cresol

4,6-Dinitro-O-cresol

C7H6N2O5 (198.0276706)

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