Exact Mass: 231.9887
Exact Mass Matches: 231.9887
Found 458 metabolites which its exact mass value is equals to given mass value 231.9887,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
5-Hydroxyxanthotoxin
5-hydroxyxanthotoxin is a member of the class of psoralens that is xanthotoxin substituted by a hydroxy group at position 5. It has a role as a metabolite. It is functionally related to a methoxsalen. It is a conjugate acid of a 5-hydroxyxanthotoxin(1-). 5-Hydroxyxanthotoxin is a natural product found in Niphogeton ternata and Apis cerana with data available. D011838 - Radiation-Sensitizing Agents > D017319 - Photosensitizing Agents > D011564 - Furocoumarins A member of the class of psoralens that is xanthotoxin substituted by a hydroxy group at position 5.
Diuron
CONFIDENCE standard compound; INTERNAL_ID 1200; DATASET 20200303_ENTACT_RP_MIX504; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8771; ORIGINAL_PRECURSOR_SCAN_NO 8769 CONFIDENCE standard compound; INTERNAL_ID 1200; DATASET 20200303_ENTACT_RP_MIX504; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8779; ORIGINAL_PRECURSOR_SCAN_NO 8777 CONFIDENCE standard compound; INTERNAL_ID 1200; DATASET 20200303_ENTACT_RP_MIX504; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4215; ORIGINAL_PRECURSOR_SCAN_NO 4212 CONFIDENCE standard compound; INTERNAL_ID 1200; DATASET 20200303_ENTACT_RP_MIX504; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4187; ORIGINAL_PRECURSOR_SCAN_NO 4185 CONFIDENCE standard compound; INTERNAL_ID 1200; DATASET 20200303_ENTACT_RP_MIX504; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8742; ORIGINAL_PRECURSOR_SCAN_NO 8740 CONFIDENCE standard compound; INTERNAL_ID 1200; DATASET 20200303_ENTACT_RP_MIX504; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8757; ORIGINAL_PRECURSOR_SCAN_NO 8755 CONFIDENCE standard compound; INTERNAL_ID 1200; DATASET 20200303_ENTACT_RP_MIX504; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4217; ORIGINAL_PRECURSOR_SCAN_NO 4215 CONFIDENCE standard compound; INTERNAL_ID 1200; DATASET 20200303_ENTACT_RP_MIX504; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4206; ORIGINAL_PRECURSOR_SCAN_NO 4202 CONFIDENCE standard compound; INTERNAL_ID 1200; DATASET 20200303_ENTACT_RP_MIX504; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4204; ORIGINAL_PRECURSOR_SCAN_NO 4202 DATASET 20200303_ENTACT_RP_MIX504; CONFIDENCE standard compound; INTERNAL_ID 1200; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4215; ORIGINAL_PRECURSOR_SCAN_NO 4212 CONFIDENCE standard compound; INTERNAL_ID 1200; DATASET 20200303_ENTACT_RP_MIX504; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4216; ORIGINAL_PRECURSOR_SCAN_NO 4214 ORIGINAL_PRECURSOR_SCAN_NO 8769; CONFIDENCE standard compound; INTERNAL_ID 1200; DATASET 20200303_ENTACT_RP_MIX504; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8771 CONFIDENCE standard compound; INTERNAL_ID 1200; DATASET 20200303_ENTACT_RP_MIX504; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8744; ORIGINAL_PRECURSOR_SCAN_NO 8740 CONFIDENCE standard compound; INTERNAL_ID 1200; DATASET 20200303_ENTACT_RP_MIX504; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8778; ORIGINAL_PRECURSOR_SCAN_NO 8776 CONFIDENCE standard compound; INTERNAL_ID 4004 CONFIDENCE standard compound; INTERNAL_ID 2412 CONFIDENCE standard compound; INTERNAL_ID 8777 CONFIDENCE standard compound; INTERNAL_ID 3410 D010575 - Pesticides > D006540 - Herbicides D016573 - Agrochemicals
6-Cyano-7-nitroquinoxaline-2,3-dione
D018377 - Neurotransmitter Agents > D018683 - Excitatory Amino Acid Agents > D018691 - Excitatory Amino Acid Antagonists CNQX (FG9065) is a potent and competitive AMPA/kainate receptor antagonist with IC50s of 0.3 μM and 1.5 μM, respectively. CNQX is a competitive non-NMDA receptor antagonist[1]. CNQX blocks the expression of fear-potentiated startle in rats[5].
Thorium
Thorium is a naturally occurring radioactive chemical element with the symbol Th and atomic number 90. It was discovered in 1828 by the Swedish chemist Jons Jakob Berzelius and named after Thor, the Norse god of thunder. In nature, virtually all thorium is found as thorium-232, which undergoes alpha decay with a half-life of about 14.05 billion years. The element has no known biological role. [Wikipedia]. Thorium is found in many foods, some of which are cashew nut, almond, black walnut, and butternut. Thorium is a natural radioactive chemical element with the symbol Th and atomic number 90. In nature, virtually all thorium is found as thorium-232, and it decays by emitting an alpha particle, and has a half-life of about 14.05 billion years (other, trace-level isotopes of thorium are short-lived intermediates of decay chains). It is estimated to be about four times more abundant than uranium in the Earths crust and is a by-product of the extraction of rare earths from monazite sands. -- Wikipedia.
9-Hydroxy-4-methoxypsoralen
9-Hydroxy-4-methoxypsoralen is a member of psoralens. 8-Hydroxybergapten is a natural product found in Leionema nudum, Angelica japonica, and other organisms with data available. 9-Hydroxy-4-methoxypsoralen is found in pomes. 9-Hydroxy-4-methoxypsoralen is isolated from Casimiroa edulis (Mexican apple). 9-Hydroxy-4-methoxypsoralen is found in pomes. 9-Hydroxy-4-methoxypsoralen is isolated from Casimiroa edulis (Mexican apple). Isolated from Casimiroa edulis (Mexican apple). 9-Hydroxy-4-methoxypsoralen is found in wild celery and pomes. 8-hydroxybergapten is O-methylated by cell-free extracts of Ruta cells to isopimpinellin, in reactions mediated by discrete O-methyltransferases. 8-hydroxybergapten has excellent anti-wrinkle effect[1][2]. 8-hydroxybergapten is O-methylated by cell-free extracts of Ruta cells to isopimpinellin, in reactions mediated by discrete O-methyltransferases. 8-hydroxybergapten has excellent anti-wrinkle effect[1][2].
Chrycolide
Chrycolide is found in herbs and spices. Chrycolide is isolated from Chrysanthemum coronarium (chop-suey greens) whole plan Isolated from Chrysanthemum coronarium (chop-suey greens) whole plant. Chrycolide is found in herbs and spices.
4-Hydroxy-8-methoxy-2H-furo[2,3-h]-1-benzopyran-2-one
4-Hydroxy-8-methoxy-2H-furo[2,3-h]-1-benzopyran-2-one is found in tea. 4-Hydroxy-8-methoxy-2H-furo[2,3-h]-1-benzopyran-2-one is a constituent of the leaves of Camellia sinensis (Japanese tea)
Cyclobrassinone
Cyclobrassinone is found in brassicas. Cyclobrassinone is isolated from Brassica oleracea var. gongylodes (kohlrabi). Isolated from Brassica oleracea variety gongylodes (kohlrabi). Cyclobrassinone is found in brassicas.
2,4-Dihydroxyacetophenone 5-sulfate
2,4-Dihydroxyacetophenone 5-sulfate is a polyphenol metabolite detected in biological fluids (PMID: 20428313).
Vanillin 4-sulfate
Vanillin 4-sulfate is a polyphenol metabolite detected in biological fluids (PMID: 20428313).
2-[3-(sulfooxy)phenyl]acetic acid
2-[3-(sulfooxy)phenyl]acetic acid is a predicted metabolite generated by BioTransformer¹ that is produced by the metabolism of 2-(3-hydroxyphenyl)acetic acid. It is generated by Sulfotransferase 1A3 (P0DMM9) and Sulfotransferase enzymes via a -3-O-sulfation-of-phenolic-compound reaction. This -3-O-sulfation-of-phenolic-compound occurs in humans.
2-[4-(sulfooxy)phenyl]acetic acid
2-[4-(sulfooxy)phenyl]acetic acid is a predicted metabolite generated by BioTransformer¹ that is produced by the metabolism of 2-(4-hydroxyphenyl)acetic acid. It is generated by Sulfotransferase 1A3 (P0DMM9) and Sulfotransferase enzymes via a -4-O-sulfation-of-phenolic-compound reaction. This -4-O-sulfation-of-phenolic-compound occurs in humans.
Methyl-4-hydroxybenzoate sulfate
Methyl-4-hydroxybenzoate sulfate belongs to the class of organic compounds known as phenylsulfates. Phenylsulfates are compounds containing a sulfuric acid group conjugated to a phenyl group. Methyl-4-hydroxybenzoate sulfate has been identified in the human placenta (PMID: 32033212).
Rutalexin
Rutalexin 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. Rutalexin is practically insoluble (in water) and a very weakly acidic compound (based on its pKa). Rutalexin can be found in chinese cabbage, which makes rutalexin a potential biomarker for the consumption of this food product.
Arctinal
Arctinal is a member of the class of compounds known as bi- and oligothiophenes. Bi- and oligothiophenes are organic compounds containing two or more linked thiophene rings. Thiophene is a five-member aromatic ring with one sulfur and four carbon atoms. Arctinal is practically insoluble (in water) and an extremely weak basic (essentially neutral) compound (based on its pKa). Arctinal can be found in burdock, which makes arctinal a potential biomarker for the consumption of this food product.
Sodium (4-methoxybenzoyloxy)acetate
It is used as a food additive .
Ferrous ascorbate
Dietary supplement
(3,6-Dioxo-[1,4]dioxan-2,5-diyl)-di-essigsaeure|(3,6-dioxo-[1,4]dioxane-2,5-diyl)-di-acetic acid
2-Aethinyl-5-<4-hydroxy-4,5-dihydro-thienyl-(2)-aethinyl>-thiophen|5-(5-ethynyl-thiophen-2-ylethynyl)-2,3-dihydro-thiophen-3-ol|5-[5-(Ethynyl-2-thienyl)ethynyl(2,3-dihydrothiophene-3-ol
5-Vinyl-2-(trans-propen-(1)-yl-(1))-dithienyl-(5,2)|5-Vinyl-2--dithienyl-(5,2)
Ketone-alpha-Methyl-5-(2-thienylethynyl)-2-thiophenemethanol
1-O-Sulfate-2,3-Dihydro-1,6-dihydroxyimidazo[1,5-alphaa]pyridine
3,4-Dihydro-1-hydroxy-3,4-dioxonaphthalene-2-carboxylic acid methyl ester
5-propynyl-2,2-bithienyl-5-carbaldehyde|5-propynyl-2,2-bithiophene-5-carbaldehyde|aphyllocladine|arctinal|Arctinol
diuron
D010575 - Pesticides > D006540 - Herbicides D016573 - Agrochemicals CONFIDENCE standard compound; EAWAG_UCHEM_ID 292
5H-Oxireno[4,5]furo[3,2-g][1]benzopyran-5-one, 1a,8b-dihydro-3-methoxy-
4-hydroxy-8-methoxy-2H-furo[2,3-h]chromen-2-one
Carbonyl selenide
8-hydroxybergapten is O-methylated by cell-free extracts of Ruta cells to isopimpinellin, in reactions mediated by discrete O-methyltransferases. 8-hydroxybergapten has excellent anti-wrinkle effect[1][2]. 8-hydroxybergapten is O-methylated by cell-free extracts of Ruta cells to isopimpinellin, in reactions mediated by discrete O-methyltransferases. 8-hydroxybergapten has excellent anti-wrinkle effect[1][2].
Potassium trifluoro(3-fluoro-4-methoxyphenyl)borate
POTASSIUM TRIFLUORO(2-(METHYLTHIO)PYRIMIDIN-5-YL)BORATE
N-(4-chloro-5-nitro-6-oxo-3H-pyrimidin-2-yl)acetamide
1-METHYL-5-(TRIFLUOROMETHYL)-2,3-DIHYDRO-1H-BENZO[D]IMIDAZOLE-2-THIONE
1-chloro-4-(chloromethyl)-2,3,5,6-tetrafluorobenzene
(1-Hydroxy-1-isopropylallyl)phosphonic acid diethyl ester
ETHYL 5-CHLORO-2-(METHYLTHIO)PYRIMIDINE-4-CARBOXYLATE
Acetamide,N-(2,5-dichlorophenyl)-2-(hydroxyimino)-
3,6-Dihydro-2H-pyran-4-yl trifluoromethanesulfonate
4-Chloro-5-fluorobenzene-1,2-diamine dihydrochloride
5-Bromo-1-methyl-1H-pyrazole-3-carboxylic acid ethyl ester
(2-Chloro-4-fluoro-5-(methoxycarbonyl)phenyl)boronic acid
Methyl 2-chloro-5,6-dimethoxypyrimidine-4-carboxylate
3-(4-Bromo-1H-pyrazol-1-yl)-2-methylpropanoic acid
4-bromo-2-ethyl-5-methylpyrazole-3-carboxylic acid
7-Chloro-3,4-dihydro-3-methyl-2H-1,2,4-benzothiadiazine 1,1-dioxide
IDRA 21 is a positive and orally active modulator of the AMPA receptor. IDRA 21 facilitates excitatory neurotransmission via GluR1/2 receptors. IDRA 21 has the potential for the research of cognitive/memory disorders, including those associated with aging[1].
3-(Imidazo[2,1-b]thiazol-6-yl)propanoic acid hydrochloride
4-BROMO-3-ETHYL-1-METHYL-1H-PYRAZOLE-5-CARBOXYLIC ACID
1H-Pyrazole-5-carboxylicacid,4-bromo-1,3-dimethyl-,hydrazide(9CI)
3-Methylbenzo[d]thiazolo[3,2-a]imidazole-2-carboxylic acid
BENZENEPROPANOIC ACID, .ALPHA.-OXO-4-(TRIFLUOROMETHYL)-
METHYL 4-CYANO-3-(1H-PYRROL-1-YL)THIOPHENE-2-CARBOXYLATE
Disodium tartrate dihydrate
Tartaric acid disodium dihydrate is a Acid phosphatase inhibitor, is a sodium salt used in buffers for molecular biology and cell culture applications. Increases the rate of colchicine binding to tubulin1.
5-bromo-1,3,6-trimethylpyrimidine-2,4(1H,3H)-dione
5-Chloro-4-(trifluoromethyl)pyridin-2-amine hydrochloride
3,5-Dimethyl-2,6-bis(methylthio)-4H-thiopyran-4-one
2-[methylsulfanyl(phenylsulfanyl)methylidene]propanedinitrile
5,6-dichloro-2-cyclopropylpyrimidine-4-carboxylic acid
2-Bromo-5-methyl-4,5,6,7-tetrahydrothiazolo[5,4-c]pyridine
Ethyl 4-chloro-2-Methylthio-5-pyriMidinecarboxylate
methyl 3-(5-chlorothiophen-2-yl)-2,2-dimethylpropanoate
1,3-Dioxolane,4-(chloromethyl)-2-(4-chlorophenyl)-
6-(furan-2-ylmethyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one
2h-1,2,4-benzothiadiazine, 3-(chloromethyl)-3,4-dihydro-, 1,1-dioxide (9ci)
2-METHANESULFONYL-5-(TRIFLUOROMETHYL)-1,3,4-THIADIAZOLE
6-bromo-3-oxo-3,4-dihydro-pyrazine-2-carboxylic acid methyl ester
EXO-2-BROMO-5-OXO-BICYCLO[2.2.1!HEPTANE-SYN-7-CARBOXYLIC ACID
N-(5-Acetyl-4-methyl-1,3-thiazol-2-yl)-2-chloroacetamide
1,1,2,2-Tetrafluoroethyl-2,2,3,3-tetrafluoropropylether
2-OXO-2,3-DIHYDRO-1H-BENZOIMIDAZOLE-5-SULFONYL CHLORIDE
4-Chloro-2-(4-morpholino)-5-thiazolecarboxaldehyde
1,1,3,3,3-Pentafluoro-2-trifluoromethylpropyl methyl ether
2,6-Dichloro-1,7-dimethylpyrazolo[1,2-a]pyrazole-3,5-dione
5,6-dichloro-1H-imidazo[4,5-b]pyrazine-2-carboxylic acid
4-[5-(prop-2-ynylthio)-3H-1,3,4-oxadiazol-2-ylidene]-1-cyclohexa-2,5-dienone
8-hydroxybergapten
8-hydroxybergapten is O-methylated by cell-free extracts of Ruta cells to isopimpinellin, in reactions mediated by discrete O-methyltransferases. 8-hydroxybergapten has excellent anti-wrinkle effect[1][2]. 8-hydroxybergapten is O-methylated by cell-free extracts of Ruta cells to isopimpinellin, in reactions mediated by discrete O-methyltransferases. 8-hydroxybergapten has excellent anti-wrinkle effect[1][2].
[(3R,4S)-5-fluoro-3,4-dihydroxy-2-oxopentyl] dihydrogen phosphate
[(2R,3R,4S,5S)-5-(fluoromethyl)-3,4-dihydroxyoxolan-2-yl] dihydrogen phosphate
2-(1,2-dihydroxyethyl)-3,4-dihydroxy-2H-furan-5-one;iron(2+)
3-Hydroxy-3-(thiazol-2-yl)indolin-2-one
An oxindole that is indolin-2-one substituted at position 3 by thiazol-2-yl and hydroxy groups.
methyl (2E)-1,3-benzothiazol-2(3H)-ylidene(cyano)acetate
An alkyl cyanoacetate ester that is methyl cyanoacetate with a 1,3-benzothiazol-2(3H)-ylidene substituent at position 2.
(2E,4Z)-2-hydroxy-6-(2-oxidophenyl)-6-oxohexa-2,4-dienoate
CNQX
D018377 - Neurotransmitter Agents > D018683 - Excitatory Amino Acid Agents > D018691 - Excitatory Amino Acid Antagonists CNQX (FG9065) is a potent and competitive AMPA/kainate receptor antagonist with IC50s of 0.3 μM and 1.5 μM, respectively. CNQX is a competitive non-NMDA receptor antagonist[1]. CNQX blocks the expression of fear-potentiated startle in rats[5].
7-Hydroxy-3-(thiophen-2-yl)isobenzofuran-1(3H)-one
4-Hydroxy-8-methoxy-2H-furo[2,3-h]-1-benzopyran-2-one
2-formamidophenyl-2-thiazolylketone
An aromatic ketone in which the two substituents attached to the carbonyl group are 2-formamidophenyl and thiazol-2-yl.
2-O-sulfate-4-hydroxyacetophenone
An acetophenone substituted by a sulfooxy group at position 2 and by a hydroxy group at position 4.
8-Hydroxybergapten
8-hydroxybergapten is O-methylated by cell-free extracts of Ruta cells to isopimpinellin, in reactions mediated by discrete O-methyltransferases. 8-hydroxybergapten has excellent anti-wrinkle effect[1][2]. 8-hydroxybergapten is O-methylated by cell-free extracts of Ruta cells to isopimpinellin, in reactions mediated by discrete O-methyltransferases. 8-hydroxybergapten has excellent anti-wrinkle effect[1][2].
