Exact Mass: 233.0874
Exact Mass Matches: 233.0874
Found 500 metabolites which its exact mass value is equals to given mass value 233.0874
,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
Lomustine
Lomustine is only found in individuals that have used or taken this drug. It is an alkylating agent of value against both hematologic malignancies and solid tumors. [PubChem]Lomustine is a highly lipophilic nitrosourea compound which undergoes hydrolysis in vivo to form reactive metabolites. These metabolites cause alkylation and cross-linking of DNA (at the O6 position of guanine-containing bases) and RNA, thus inducing cytotoxicity. Other biologic effects include inhibition of DNA synthesis and some cell cycle phase specificity. Nitrosureas generally lack cross-resistance with other alkylating agents. As lomustine is a nitrosurea, it may also inhibit several key processes such as carbamoylation and modification of cellular proteins. L - Antineoplastic and immunomodulating agents > L01 - Antineoplastic agents > L01A - Alkylating agents > L01AD - Nitrosoureas C274 - Antineoplastic Agent > C186664 - Cytotoxic Chemotherapeutic Agent > C2842 - DNA Binding Agent D009676 - Noxae > D000477 - Alkylating Agents D000970 - Antineoplastic Agents
2-Hydroxy-6-oxo-(2-aminophenyl)-hexa-2,4-dienoate
Casimiroin
Casimiroin is found in pomes. Casimiroin is an alkaloid from the seed and bark of Casimiroa edulis (Mexican apple). Alkaloid from the seed and bark of Casimiroa edulis (Mexican apple). Casimiroin is found in pomes.
Hirsutin
8-(methylsulfinyl)octyl isothiocyanate is a member of the class of isothiocyanates that is octyl isothiocyanate in which one of the methyl hydrogens at position 8 has been replaced by a methylsulfinyl group. It has a role as a plant metabolite and an allelochemical. It is an isothiocyanate and a sulfoxide. It derives from a hydride of an octane. 8-Methylsulfinyloctyl isothiocyanate is a natural product found in Arabidopsis thaliana, Rorippa indica, and Rorippa sylvestris with data available. Hirsutin inhibits germination of lettuce seeds and affects the growth of the roots of lettuce seedling Inhibits germination of lettuce seeds and affects the growth of the roots of lettuce seedlings
Serylglutamine
Serylglutamine is a dipeptide composed of serine and glutamine. It is an incomplete breakdown product of protein digestion or protein catabolism. Some dipeptides are known to have physiological or cell-signaling effects although most are simply short-lived intermediates on their way to specific amino acid degradation pathways following further proteolysis.
Asparaginyl-Threonine
Asparaginyl-Threonine is a dipeptide composed of asparagine and threonine. It is an incomplete breakdown product of protein digestion or protein catabolism. Some dipeptides are known to have physiological or cell-signaling effects although most are simply short-lived intermediates on their way to specific amino acid degradation pathways following further proteolysis. This dipeptide has not yet been identified in human tissues or biofluids and so it is classified as an Expected metabolite.
Threonylasparagine
Threonylasparagine is a dipeptide composed of threonine and asparagine. It is an incomplete breakdown product of protein digestion or protein catabolism. Dipeptides are organic compounds containing a sequence of exactly two alpha-amino acids joined by a peptide bond. Some dipeptides are known to have physiological or cell-signalling effects although most are simply short-lived intermediates on their way to specific amino acid degradation pathways following further proteolysis.
Glutaminylserine
Glutaminylserine is a dipeptide composed of glutamine and serine. It is an incomplete breakdown product of protein digestion or protein catabolism. Some dipeptides are known to have physiological or cell-signaling effects although most are simply short-lived intermediates on their way to specific amino acid degradation pathways following further proteolysis.
Serinyl-Gamma-glutamate
Serinyl-Gamma-glutamate is a dipeptide composed of serine and gamma-glutamate. It is an incomplete breakdown product of protein digestion or protein catabolism. Some dipeptides are known to have physiological or cell-signaling effects although most are simply short-lived intermediates on their way to specific amino acid degradation pathways following further proteolysis. This dipeptide has not yet been identified in human tissues or biofluids and so it is classified as an Expected metabolite.
1-(1,3-Benzodioxol-5-ylcarbonyl)piperidine
1-BCP (Piperonylic acid piperidide) is a centrally active agent that modulates AMPA receptor gated currents. 1-BCP is a memory-enhancing agent[1][2].
1-Hydroxy-2-(N-acetylcysteinyl)-3-butene
4-(3-Pyridin-2-yl-[1,2,4]oxadiazol-5-yl)-butyric acid
g-Nitro-l-arginine methyl ester
(2R)-2-Acetamido-6-hydroxy-2-(sulfanylmethyl)hex-3-enoic acid
4,5Dimethyl-3-(2-oxo-2-phenyl-ethyl)-thiazole
Methyl (2S)-5-(diaminomethylideneamino)-2-nitramidopentanoate
Dicarbamoyl (2S)-2-aminopentanedioate
4-(3-Methyl-2-butenoxy)-iso-nitroso-acetophenone
4-(3-methyl-2-butenoxy)-iso-nitroso-acetophenone is a member of the class of compounds known as phenol ethers. Phenol ethers are aromatic compounds containing an ether group substituted with a benzene ring. 4-(3-methyl-2-butenoxy)-iso-nitroso-acetophenone is practically insoluble (in water) and a very weakly acidic compound (based on its pKa). 4-(3-methyl-2-butenoxy)-iso-nitroso-acetophenone can be found in sweet orange, which makes 4-(3-methyl-2-butenoxy)-iso-nitroso-acetophenone a potential biomarker for the consumption of this food product.
4-(3-Methyl-2-butenoxy)-iso-nitroso-acetophenone
4-(3-methyl-2-butenoxy)-iso-nitroso-acetophenone is a member of the class of compounds known as phenol ethers. Phenol ethers are aromatic compounds containing an ether group substituted with a benzene ring. 4-(3-methyl-2-butenoxy)-iso-nitroso-acetophenone is practically insoluble (in water) and a very weakly acidic compound (based on its pKa). 4-(3-methyl-2-butenoxy)-iso-nitroso-acetophenone can be found in sweet orange, which makes 4-(3-methyl-2-butenoxy)-iso-nitroso-acetophenone a potential biomarker for the consumption of this food product.
1-(hydroxymethyl)-7-methoxy-6-methylisoquinoline-5,8-dione
1-Isothiocyanato-8-(methylsulfinyl)-octane
Acquisition and generation of the data is financially supported in part by CREST/JST.
Mecarbinate
C78274 - Agent Affecting Cardiovascular System > C270 - Antihypertensive Agent
ethyl 2,3-dioxo-1,4-dihydroquinoline-4-carboxylate
ethyl 2,3-dioxo-1,4-dihydroquinoline-4-carboxylate
1-isothiocyanato-8-methanesulfinyloctane
Annotation level-3
5-Acetoacetamino benzimidazolone
CONFIDENCE standard compound; INTERNAL_ID 387; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 2379; ORIGINAL_PRECURSOR_SCAN_NO 2376 CONFIDENCE standard compound; INTERNAL_ID 387; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 2374; ORIGINAL_PRECURSOR_SCAN_NO 2372 CONFIDENCE standard compound; INTERNAL_ID 387; DATASET 20200303_ENTACT_RP_MIX505; 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 387; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 2368; ORIGINAL_PRECURSOR_SCAN_NO 2365 CONFIDENCE standard compound; INTERNAL_ID 387; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 2441; ORIGINAL_PRECURSOR_SCAN_NO 2438 CONFIDENCE standard compound; INTERNAL_ID 387; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 2381; ORIGINAL_PRECURSOR_SCAN_NO 2378
Ethyl 2,3-dioxo-1,2,3,4-tetrahydro-4-quinolinecarboxylate
(2-[4-AMINOSULPHONYL-PHENYL]-ETHYL)-5-METHYLPYRAZINECARBOXAMIDE
4-(2-methylpropyl)-3-phenyl-1H-1,2,4-triazole-5-thione
6-Methyl-2-phenyl-1,3,6,2-dioxazaborocane-4,8-dione
1H-Indole-1-aceticacid, 2,3-dihydro-2,3-dioxo-, ethyl ester
6-ACETAMIDO-1-OXO-2,3-DIHYDRO-1H-INDENE-4-CARBOXYLIC ACID
2-PYRIMIDINAMINE, 4-CHLORO-6-METHYL-5-(PHENYLMETHYL)-
(4R,5S)-4-Methyl-5-phenyl-3-propionyl-2-oxazolidinone
METHYL 2-(2-AMINO-4-(TRIFLUOROMETHYL)PHENYL)ACETATE
Fludorex
C78272 - Agent Affecting Nervous System > C267 - Antiemetic Agent C78272 - Agent Affecting Nervous System > C29728 - Anorexiant
3-AMINO-3-(2-TRIFLUOROMETHYL-PHENYL)PROPIONIC ACID
2H-Isoindole-2-aceticacid, a-ethyl-1,3-dihydro-1,3-dioxo-
2-ethyl-6-fluoro-3-methylquinoline-4-carboxylic acid
5-(4-Hydroxyphenyl)-4-oxazolecarboxylic acid ethyl ester
Mofegiline hydrochloride
D002491 - Central Nervous System Agents > D018726 - Anti-Dyskinesia Agents > D000978 - Antiparkinson Agents D004791 - Enzyme Inhibitors > D008996 - Monoamine Oxidase Inhibitors C471 - Enzyme Inhibitor > C667 - Monoamine Oxidase Inhibitor
2H-Isoindole-2-aceticacid, 1,3-dihydro-1,3-dioxo-, ethyl ester
1H-Isoindole-1,3(2H)-dione,2-[(trimethylsilyl)methyl]-
3,5-DIMETHOXY-4-HYDROXYPHENETHYLAMINEHYDROCHLORIDE
(r)-3-amino-4-(2-fluorophenyl)butanoic acid hydrochloride
1-[(Cyanocarbonothioyl)(methylcarbamoyl)amino]-4-methylbenzene
1-(cyanocarbothioyl)-3-methyl-1-(3-methylphenyl)urea
1-METHYL-5-OXO-2-(M-TOLYL)PYRROLIDINE-3-CARBOXYLIC ACID
4-(1-HYDROXY-2-(METHYLAMINO)ETHYL)-2-METHOXYPHENOL HYDROCHLORIDE
5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxylic acid
3-(TERT-BUTOXYCARBONYL)THIAZOLIDINE-2-CARBOXYLIC ACID
7-Methoxy-4-oxo-1,4-dihydro-quinoline-2-carboxylic acid methyl ester
5-[4-(tert-Butyl)phenyl]-1H-1,2,4-triazole-3-thiol
1-Acetyl-2,3-dihydro-2-oxo-1H-indole-6-carboxylic acid methyl ester
1H-1,2,4-Triazole-1-aceticacid,4,5-dihydro-4-(4-methylphenyl)-5-oxo-
2α-Formylpyrrolidine-1-carboxylic acid benzyl ester
1-(2-CHLORO-BENZYL)-PYRROLIDINE-2-CARBOXYLICACIDHYDROCHLORIDE
tert-butyl (2S)-2-(2-chloroacetyl)azetidine-1-carboxylate
Ethyl2,5-dihydro-5-oxo-1-phenyl-1H-1,2,4-triazole-3-carboxylate
3-(2-METHOXYPHENYL)-5-METHYLISOXAZOLE-4-CARBOXYLIC ACID
ETHYL 2-OXO-2,3,4,5-TETRAHYDRO-1H-BENZO[B]AZEPINE-4-CARBOXYLATE
(s)-3-amino-3-(3-trifluoromethyl-phenyl)-propionic acid
Methyl 1,4-Dihydro-6-Methoxy-4-oxo-quinoline-7-carboxylate
Methyl 7-Methoxy-4-oxo-1,4-dihydroquinoline-6-carboxylate
(2-Amino-4-methyl-5-thiazolyl)phenylmethanoneoxime
(r)-3-amino-4-(4-fluorophenyl)butanoic acid hydrochloride
BU 224 hydrochloride,2-(4,5-Dihydroimidazol-2-yl)quinolinehydrochloride
4-(1,3-dioxo-1,3-dihydro-2h-isoindol-2-yl)butanoic acid
4-Quinolinecarboxylicacid, 1,2-dihydro-3-hydroxy-2-oxo-, ethyl ester
1-(2,6-Dimethylphenyl)-5-oxopyrrolidine-3-carboxylic acid
N,N-DIMETHYL-2-(3-(TRIFLUOROMETHYL)PHENOXY)ETHANAMINE
1-(2-CHLOROPHENYL)-2,5-DIMETHYL-1H-PYRROLE-3-CARBALDEHYDE
methyl 2-(5-methoxy-2-methyl-1H-indol-3-yl)acetate
4h-1-benzopyran-2-carboxylic acid, 6-amino-4-oxo-, ethyl ester
(r)-3-amino-4-(3-fluorophenyl)butanoic acid hydrochloride
3-amino-3-(4-trifluoromethyl-phenyl)-propionic acid
(R)-3-Amino-3-(2-trifluoromethyl-phenyl)-propionic acid
ethyl 2-(4-amino-3-fluorophenyl)-2,2-difluoroacetate
ETHYL5-AMINO-1-(PYRIMIDIN-2-YL)-1H-PYRAZOLE-4-CARBOXYLATE
2-(7-fluoro-1,2,3,4-tetrahydrocyclopenta[b]indol-3-yl)acetic acid
2-[5-methyl-2-(4-methylphenyl)-1,3-thiazol-4-yl]ethanol
5-Oxo-1-(1-phenylethyl)pyrrolidine-3-carboxylic acid
1-(2,3-DIHYDRO-1,4-BENZODIOXIN-6-YL)-N-METHYLMETHANAMINE
1-ACETYL-2-OXO-2,3-DIHYDRO-1H-INDOLE-5-CARBOXYLIC ACID METHYL ESTER
(S)-4-(2-OXO-4-PHENYLOXAZOLIDIN-3-YL)-N-PROPYLBENZAMIDE
6-Benzyl-3-(methylsulfanyl)-1,2,4-triazin-5(2H)-one
4-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)butanoic acid
3-Isoquinolinecarboxylicacid, 1,2-dihydro-4-hydroxy-1-oxo-, ethyl ester
(1S, 3S)-1-(1-PHENYLETHYL)-5-OXO-3-PYRROLIDINE CARBOXYLIC ACID
Methyl 2-amino-5-methyl-4-(trifluoromethyl)benzoate
(R)-METHYL 2-AMINO-3-(4-FLUOROPHENYL)PROPANOATE HYDROCHLORIDE
1-Benzo[1,3]dioxol-5-yl-2-pyrrolidin-1-yl-ethanone
2-(tert-butoxycarbonylamino)-3-Methoxy-3-oxopropanoic acid
Ethyl 2-(4-hydroxyphenyl)-1,3-oxazole-4-carboxylate
alpha-(Aminomethyl)-2,5-dimethoxybenzyl alcohol hydrochloride
6-(methoxycarbonyl)-3-methyl-1H-indole-2-carboxylic acid
3-(4-METHOXYPHENYL)-5-METHYL-4-ISOXAZOLECARBOXYLIC ACID
1-(4-Methoxy-benzyl)-1H-[1,2,3]triazole-4-carboxylic acid
1-(2,5-DIMETHOXY-4-METHYLTHIOPHENYL)-2-AMINOPROPANEHYDROCHLORIDE
6-Fluoro-2,3,4,9-tetrahydro-1H-carbazole-3-carboxylic acid
(S)-3-Amino-3-(2-(trifluoromethyl)phenyl)propanoic acid
methyl (E)-3-(furan-2-yl)-2-(1,2,4-triazol-1-ylmethyl)prop-2-enoate
(4S,5R)-4-Methyl-5-phenyl-3-propionyl-2-oxazolidinone
Benzenemethanamine,N-(3-chloropropyl)-N-methyl-, hydrochloride (1:1)
1-(2,4-DIHYDROXY-PHENYL)-2-(4-NITRO-PHENYL)-ETHANONE
3-amino-3-[3-(trifluoromethyl)phenyl]propanoic acid
(s)-3-amino-4-(2-fluorophenyl)butanoic acid hydrochloride
2-(1-thienyl)ethyl 3,4-dihydroxybenzylidenecyanoacetate
(s)-3-amino-4-(3-fluorophenyl)butanoic acid hydrochloride
(s)-3-amino-4-(4-fluorophenyl)butanoic acid hydrochloride
(R)-3-Amino-3-(3-(trifluoromethyl)phenyl)propanoic acid
METHYL 6-METHOXY-4-OXO-1,4-DIHYDROQUINOLINE-3-CARBOXYLATE
ETHYL 2-(2-OXO-3,4-DIHYDROQUINOLIN-1(2H)-YL)ACETATE
3-(1-methylsulfonylpiperidin-4-yl)prop-2-enoic acid
3-(2-OXO-PIPERIDIN-1-YL)-BENZOIC ACID METHYL ESTER
5-Isoxazolecarboxylic acid, 3-(4-Methoxyphenyl)-, Methyl ester
Methyl (1S,5R)-8-methyl-3-oxo-8-azabicyclo[3.2.1]octane-2-carboxylate hydrochloride (1:1)
(2S)-2-[3-FLUORO-4-(TRIFLUOROMETHYL)PHENYL]PYRROLIDINE
(2S)-2-[5-FLUORO-2-(TRIFLUOROMETHYL)PHENYL]PYRROLIDINE
(S)-Pyrrolidin-3-yl-(1-thiazol-2-yl-ethyl)-aMine hydrochloride
(S)-3-Amino-4-(2-Fluorophenyl)butyric Acid Hydrochloride
3-METHYL-2-(1-OXO-1,3-DIHYDRO-2H-ISOINDOL-2-YL)BUTANOIC ACID
(R)-Pyrrolidin-3-yl-(1-thiazol-2-yl-ethyl)-aMine hydrochloride
(R)-Methyl 1-benzyl-5-oxopyrrolidine-3-carboxylate
Methyl 2-(5-hydroxy-1-(pyridin-2-yl)-1H-pyrazol-3-yl)acetate
3-fluoro-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-3-carboxylic acid
methyl 2-amino-3-(4-fluorophenyl)propanoate,hydrochloride
5-Amino-1-(4-methoxyphenyl)-1H-pyrazole-4-carboxylic acid
1-(3,4-Dimethylphenyl)-2-oxopyrrolidine-4-carboxylic acid
N-(6-chloro-2-phenyl-4-pyrimidinyl)-N,N-dimethylamine
1-(4-CHLOROPHENYL)-2-(4-METHYLPHENYL)ETHANE-1,2-DIONE
4-Hydroxy-7-methoxy-quinoline-2-carboxylic acid methyl ester
1-(5-ACETYL-3-ALLYL-2-AMINO-4-HYDROXYPHENYL)ETHAN-1-ONE
2,1,3-Benzoxadiazol-5-yl(morpholin-4-yl)methanone
CX 717 is a positive allosteric modulator of AMPA receptor. Antidepressant-like effect. CX 717 can be used for the research of adult attention deficit hyperactivity disorder (ADHD)[1][2].
3-Pyridin-4-YL-2,4-dihydro-indeno[1,2-.C.]pyrazole
4-methyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzamide
2-(5-Methyl-4H-[1,2,4]triazol-3-ylsulfanyl)-1-phenyl-ethanone
N-[3-methyl-1,3-thiazol-2(3H)-yliden]-N-phenylurea
(1R,2S)-9-(2-Hydroxy-3-keto-cyclopenten-1-YL)adenine
g-Nitro-l-arginine methyl ester
Butanamide, N-(2,3-dihydro-2-oxo-1H-benzimidazol-5-yl)-3-oxo-
5-[(4-Hydroxyphenyl)methyl]-4,4-dimethylpyrrolidine-2,3-dione
(2S)-2-[[(2S)-2-azaniumyl-2-carboxylatoethyl]azaniumyl]pentanedioate
2,4,6-Octatrienyl-2-amino-3-hydroxycyclopent-2-enone
(2R)-2-Acetamido-6-hydroxy-2-(sulfanylmethyl)hex-3-enoic acid
1-p-Tolyl-2-(4H-[1,2,4]triazol-3-ylsulfanyl)-ethanone
8-methoxy-N-methyl-2-oxo-1-benzopyran-3-carboxamide
S-(2-acetamidoethyl) (2S,3R)-3-hydroxy-2-methylpentanethioate
A thioester formed by condensation of (2S,3R)-3-hydroxy-2-methylpentanoic acid with N-(2-sulfanylethyl)acetamide.
(2S)-2-[2-(2-azaniumylethylamino)-2-oxoethyl]-2-hydroxybutanedioate
(4Z,7Z)-deca-4,7-dien-1-yl sulfate
An organosulfate oxoanion that is the conjugate base of (4Z,7Z)-deca-4,7-dien-1-yl hydrogen sulfate. It has been isolated from Daphnia pulex and has been shown to cause morphological changes in the green alga Scenedesmus gutwinskii.
(2S,3S)-2-[[(2S)-2,4-diamino-4-oxobutanoyl]amino]-3-hydroxybutanoic acid
(3R)-3-[(2R,3R,5R,6S)-3,5-dihydroxy-6-methyloxan-2-yl]oxybutanoate
lomustine
L - Antineoplastic and immunomodulating agents > L01 - Antineoplastic agents > L01A - Alkylating agents > L01AD - Nitrosoureas C274 - Antineoplastic Agent > C186664 - Cytotoxic Chemotherapeutic Agent > C2842 - DNA Binding Agent D009676 - Noxae > D000477 - Alkylating Agents D000970 - Antineoplastic Agents
(2E,4E)-6-(2-aminophenyl)-2-hydroxy-6-oxohexa-2,4-dienoic acid
1-(1,3-Benzodioxol-5-ylcarbonyl)piperidine
1-BCP (Piperonylic acid piperidide) is a centrally active agent that modulates AMPA receptor gated currents. 1-BCP is a memory-enhancing agent[1][2].
8-(Methylsulfinyl)octyl isothiocyanate
A member of the class of isothiocyanates that is octyl isothiocyanate in which one of the methyl hydrogens at position 8 has been replaced by a methylsulfinyl group.
premycofactocin
A member of the class of pyrrolidin-2-ones that is pyrrolidine-2,3-dione which is substituted by two methyl groups at position 4 and by a 4-hydroxybenzyl group at position 5. It is a biologically active redox cofactor used by Mycobacterium smegmatis carveol dehydrogenase in the oxidation of carveol.
Ala-Gly-Ser
A tripeptide composed of L-alanine, glycine, L-serine joined in sequence by peptide linkages.