Exact Mass: 231.0507104
Exact Mass Matches: 231.0507104
Found 436 metabolites which its exact mass value is equals to given mass value 231.0507104,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
(S)-2-acetamido-6-oxopimelic acid
(S)-2-acetamido-6-oxopimelic acid is an oxo dicarboxylic acid, a N-acyl-amino acid and a dicarboxylic fatty acid. It is functionally related to a (S)-2-amino-6-oxopimelic acid. It is a conjugate acid of a (S)-2-acetamido-6-oxopimelate(2-).
N2-Succinyl-L-glutamic acid 5-semialdehyde
N2-Succinyl-L-glutamic acid 5-semialdehyde is a substrate for Succinate semialdehyde dehydrogenase (mitochondrial) and Ornithine aminotransferase (mitochondrial). It can be found in Escherichia (UniProt). N2-Succinyl-L-glutamic acid 5-semialdehyde is a substrate for Succinate semialdehyde dehydrogenase (mitochondrial) and Ornithine aminotransferase (mitochondrial). [HMDB]
4-acetaminophen sulfate
Paracetamol sulfate, also known as paracetamol sulfuric acid or 4-acetaminophen sulfate, is classified as a phenylsulfate. Phenylsulfates are compounds containing a sulfuric acid group conjugated to a phenyl group. Paracetamol sulfate is considered a slightly soluble (in water), acidic compound. Paracetamol sulfate is a metabolite of paracetamol, a common drug used for the relief of pain as an antipyretic. After paracetamol is absorbed from the gastrointestinal tract, it forms paracetamol sulfate by conjugation with sulfuric acid. Paracetamol sulfate can be found in both plasma and urine (PMID: 15127815).
Benzeneacetamide-4-O-sulphate
Benzeneacetamide-4-O-sulphate is a conjugate of benzeneacetamide and sulphate.
HPAA sulfate
N-(2-Hydroxyphenyl)acetamide sulfate (HPAA sulfate) is a benzoxazinoid metabolite. It is a potential plasma biomarker of whole grain intake (PMID: 24812068).
(+/-)-(E)-Methyl-2-[(E)-hydroxyimino]-5-nitro-6-methoxy-3-hexeneamide
2,5-Dioxopyrrolidin-1-yl 2-(acetylthio)acetate
Methaniazide
C254 - Anti-Infective Agent > C52588 - Antibacterial Agent > C280 - Antitubercular Agent C254 - Anti-Infective Agent > C28394 - Topical Anti-Infective Agent
L-Proline, 1-(2-methyl-3-(methylthio)-1-oxopropyl)-, (S)-
5-(3-Aminopropylphosphanyloxy)-2-(hydroxymethyl)pyran-4-one
D020011 - Protective Agents > D000975 - Antioxidants
indole-3-acetyl-glycine
Indole-3-acetyl-glycine is also known as iaa-gly. Indole-3-acetyl-glycine is practically insoluble (in water) and a weakly acidic compound (based on its pKa). Indole-3-acetyl-glycine can be found in a number of food items such as pistachio, red rice, star anise, and redcurrant, which makes indole-3-acetyl-glycine a potential biomarker for the consumption of these food products.
5-hydroxy-5-(1H-indol-3-yl)imidazolidine-2,4-dione
C11H9N3O3 (231.06438839999998)
Acetic acid [2-methyl-4-oxoquinolin-1(4H)-yl]methyl ester
bruceolline I
An indole alkaloid that is 1,2,3,4-tetrahydrocyclopenta[b]indole substituted by hydroxy groups at positions 2 and 6, geminal-methyl groups at position 3 and an oxo group at position 1. It has been isolated from the ethanol extract of the stems of Brucea mollis.
3-(2-acetyl-1H-pyrrol-1-yl)-5-(prop-2-yn-1-yl)dihydrofuran-2(3H)-one|longanlactone
3-(2-(4-hydroxyphenyl)-2-oxoethyl)-5,6-dihydropyridin-2(1h)-one
(7S)-5,6-dihydro-4-[(1R)-1-hydroxyethyl]-5H-spiro[cyclopenta[c]pyridine-7,2-furan]-5-one|plumericidine
2-Carbamoyl-3-methoxy-1,4-naphthoquinone|Me ether,amide-3-Hydroxy-1,4-naphthoquinone-2-carbxylic acid
2-(2-(Chlorophenyl)amino)benzaldehyde
CONFIDENCE standard compound; INTERNAL_ID 2695 CONFIDENCE standard compound; INTERNAL_ID 8566 CONFIDENCE standard compound; INTERNAL_ID 4090
6-(trifluoromethyl)furo[2,3-b]pyridine-2-carboxylic acid
C9H4F3NO3 (231.01432699999998)
(S)-3-AMINO-4-(4-HYDROXYPHENYL)BUTANOIC ACID HYDROCHLORIDE
6-chlorobenzo[de]isoquinoline-1,3-dione
C12H6ClNO2 (231.00870460000002)
(5Z)-2-AMINO-5-[(4-HYDROXY-3,5-DITERT-BUTYL-PHENYL)METHYLIDENE]-1,3-THIAZOL-4-ONE
7-(Trifluoromethoxy)-1H-indole-2,3-dione
C9H4F3NO3 (231.01432699999998)
4(3H)-Pteridinone,2-amino-5,6,7,8-tetrahydro-6,7-dimethyl-, hydrochloride (1:1)
C8H14ClN5O (231.08868239999998)
3-(2-methylphenyl)-4-prop-2-enyl-1H-1,2,4-triazole-5-thione
4-(2,5-DIMETHYL-1H-PYRROL-1-YL)-2-HYDROXYBENZOIC ACID
4-HYDROXY-2-(PHENYLAMINO)PYRIMIDINE-5-CARBOXYLIC ACID
C11H9N3O3 (231.06438839999998)
2-Chloro-N-(2-chloroethyl)-N-methyl-2-phenylethanamine
2-chloro-5-nitro-n-hydroxyethyl p-phenylenediamine
4-ISOXAZOLECARBOXYLIC ACID, 3-METHYL-5-PHENYL-, ETHYL ESTER
4-(2-methoxyethoxy)pyridine-2-carboximidamide,hydrochloride
5-(Trifluoromethyl)isatoic anhydride
C9H4F3NO3 (231.01432699999998)
3-chloro-N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)propanamide
1,3-dioxo-2-prop-2-enylisoindole-5-carboxylic acid
N-(4-FLUOROPHENYL)ANTHRANILIC ACID
C13H10FNO2 (231.06955320000003)
methyl 4-(3-fluoropyridin-2-yl)benzoate
C13H10FNO2 (231.06955320000003)
3-AMINO-3-(2,6-DIFLUORO-3-METHOXY-PHENYL)-PROPIONIC ACID
3-AMINO-3-(2,6-DIFLUORO-4-METHOXY-PHENYL)-PROPIONIC ACID
3-AMINO-3-(2-DIFLUOROMETHOXYPHENYL)-PROPIONIC ACID
3-AMINO-3-(4-DIFLUOROMETHOXY-PHENYL)-PROPIONIC ACID
(2-[4-BENZYL-PIPERAZIN-1-YL]-2-OXO-ETHYL)-CARBAMICACIDTERT-BUTYLESTER
Methyl 3-AMino-3-(3-hydroxyphenyl)propanoate Hydrochloride
METHYL 4-HYDROXY-7,8-DIMETHYLQUINOLINE-2-CARBOXYLATE
7-(TRIFLUOROMETHYL)-1H-BENZO[D][1,3]OXAZINE-2,4-DIONE
C9H4F3NO3 (231.01432699999998)
4-piperidin-4-yl-2-(trifluoromethyl)pyrimidine
C10H12F3N3 (231.09832679999997)
7,9-dimethyl-1H-pyrido[2,3]thieno[2,4-d]pyrimidin-4-one
C11H9N3OS (231.04663039999997)
hydroxyamphetamine hydrobromide
D018373 - Peripheral Nervous System Agents > D001337 - Autonomic Agents > D013566 - Sympathomimetics D018373 - Peripheral Nervous System Agents > D001337 - Autonomic Agents > D009184 - Mydriatics C78272 - Agent Affecting Nervous System > C29747 - Adrenergic Agent
1-[3-(trifluoromethyl)pyrid-2-yl]piperazine
C10H12F3N3 (231.09832679999997)
3-(4-Nitrophenyl)-5-(prop-1-en-2-yl)-1,2,4-oxadiazole
C11H9N3O3 (231.06438839999998)
1-Benzyl-4-nitro-1H-imidazole-5-carbaldehyde
C11H9N3O3 (231.06438839999998)
5,7-DIMETHYL-2,3-DIHYDRO-1H-[1,4]DIAZEPINEPERCHLORATE
4-Bromo-2-(dimethylaminomethyl)-1-fluorobenzene
C9H11BrFN (231.00588379999996)
1-[5-(Trifluoromethyl)pyridin-2-yl]piperazine
C10H12F3N3 (231.09832679999997)
2-(chloromethyl)-3-ethylimidazo[4,5-c]pyridine,hydrochloride
3-HYDROXY-2-OXO-3-TRIFLUOROMETHYL-7-METHYLINDOLINE
7-chloro-5-methyl-2,3,4,5-tetrahydro-1H-3-benzazepine,hydrochloride
2-Aminomethyl-5-phenyl-furan-3-carboxylic acid methyl ester hydrochloride
6-(methylamino)hexane-1,2,3,4,5-pentol,hydrochloride
C7H18ClNO5 (231.08734479999998)
Ethanone,1-(3,4-dihydroxyphenyl)-2-(dimethylamino)-, hydrochloride (1:1)
Imidodicarbonimidicdiamide, N-(2-fluorophenyl)-, hydrochloride (1:1)
methyl 3-amino-3-(2-chloro-6-fluorophenyl)propanoate
Flumexadol
C11H12F3NO (231.08709379999996)
Flumexadol is a selective and affinity 5-HT2C receptor agonist with a Ki of 25 nM for the (+)-enantiomer of Flumexadol, and is 40-fold selective over the 5-HT2A receptor. Flumexadol is an orally active non-narcotic analgesic[1][2].
(R)-1-(5-(Trifluoromethyl)pyridin-2-yl)pyrrolidin-3-amine
C10H12F3N3 (231.09832679999997)
6-chloro-3-pyridin-4-yl-[1,2,4]triazolo[4,3-b]pyridazine
7-(2-methylsulfanylpyrimidin-4-yl)-5H-imidazo[1,2-b]pyrazole
4-(2-THIENYLMETHYL)-1LAMBDA6,4-THIAZINANE-1,1-DIONE
C9H13NO2S2 (231.03876780000002)
(2-amino-4,5-dimethylthiophen-3-yl)-phenylmethanone
5-Nitro-2-trifluoromethylbenzimidazole
C8H4F3N3O2 (231.02555999999998)
6-(3-Furanyl)-2-methylpyridine-3-carboxylic acid ethyl ester
1-(4-Trifluoromethyl-pyridin-2-yl)-piperazine
C10H12F3N3 (231.09832679999997)
(2S,3S)-3-Amino-2-Hydroxy-4-Phenylbutyric Acid Hydrochloride
4-Chloro-6-(dimethylamino)-3-quinolinecarbonitrile
2-amino-1-(2,5-dimethoxyphenyl)ethanone hydrochloride
3-(2-NITRO-BENZYL)-3H-IMIDAZOLE-4-CARBALDEHYDE
C11H9N3O3 (231.06438839999998)
3-(3-NITRO-BENZYL)-3H-IMIDAZOLE-4-CARBALDEHYDE
C11H9N3O3 (231.06438839999998)
3-(4-NITRO-BENZYL)-3H-IMIDAZOLE-4-CARBALDEHYDE
C11H9N3O3 (231.06438839999998)
3-benzyl-5-nitroimidazole-4-carbaldehyde
C11H9N3O3 (231.06438839999998)
5-[4-(1-METHYLETHYL)PHENYL]-3-ISOXAZOLECARBOXYLIC ACID
2-[4-(Trifluoromethyl)phenyl]morpholine
C11H12F3NO (231.08709379999996)
6-CHLORO-4-OXO-3-PHENYL-1(4H)-PYRIDAZINECARBONITRILE
4-ALLYL-5-(3-METHYLPHENYL)-4H-1,2,4-TRIAZOLE-3-THIOL
3-[4-(trifluoromethyl)phenoxy]pyrrolidine
C11H12F3NO (231.08709379999996)
N-(2-FLUOROPHENYL)ANTHRANILIC ACID
C13H10FNO2 (231.06955320000003)
3-(DIMETHYLAMINO)-4-METHOXYBENZOIC ACID HYDROCHLORIDE
3-(Cyanomethyl)-5-methoxy-1H-pyrrolo[2,3-c]pyridine-2-carboxylic acid
C11H9N3O3 (231.06438839999998)
1-CHLORO-5,6,7-TRIMETHYL-6H-PYRROLO[3,4-D]PYRIDAZINE HYDROCHLORIDE
2-imidazol-1-yl-1-(4-nitrophenyl)ethanone
C11H9N3O3 (231.06438839999998)
4-amino-5-nitro-2-(trifluoromethyl)benzonitrile
C8H4F3N3O2 (231.02555999999998)
6-AMINO-5-(CHLOROACETYL)-1-ETHYLPYRIMIDINE-2,4(1H,3H)-DIONE
Lorcaserin HCl
C78272 - Agent Affecting Nervous System > C47794 - Serotonin Agonist
3-(2,5-DIMETHYL-PYRROL-1-YL)-4-HYDROXY-BENZOIC ACID
5-BROMO-2-(2-METHOXYETHYLAMINO)PYRIMIDINE
C7H10BrN3O (231.00071899999998)
N-Ethyl-N-(5-formyl-furan-2-ylmethyl)-methanesulfonamide
BENZYL 4-OXO-3,4-DIHYDROPYRIDINE-1(2H)-CARBOXYLATE
(2s,3r)-3-amino-2-hydroxy-4-phenylbutyric acid hydrochloride
1-BENZYL-5-NITRO-1H-IMIDAZOLE-4-CARBALDEHYDE
C11H9N3O3 (231.06438839999998)
3,4-dihydroisoquinoline-2(1H)-sulfonyl chloride(SALTDATA: FREE)
2-AMINO-6-ISOPROPYL-4-OXO-4H-CHROMENE-3-CARBALDEHYDE
6-(TRIFLUOROMETHOXY)-1H-INDOLE-2,3-DIONE
C9H4F3NO3 (231.01432699999998)
2,4(1H,3H)-Pyrimidinedione,6-amino-5-(2-chloroacetyl)-1,3-dimethyl-
Sulfathiourea
C7H9N3O2S2 (231.01361740000002)
J - Antiinfectives for systemic use > J01 - Antibacterials for systemic use > J01E - Sulfonamides and trimethoprim > J01EB - Short-acting sulfonamides C254 - Anti-Infective Agent > C29739 - Sulfonamide Anti-Infective Agent D000890 - Anti-Infective Agents > D013424 - Sulfanilamides
6-CHLORO-4-ETHYL-1,2,3,4-TETRAHYDROISOQUINOLINEHYDROCHLORIDE
3-(4-FORMYL-3-THIEN-2-YL-1H-PYRAZOL-1-YL)PROPANENITRILE
C11H9N3OS (231.04663039999997)
2-Propenoic acid,2-cyano-3-(4-methoxyphenyl)-, ethyl ester
1-(Furan-2-ylmethyl)pyrrolidine-2-carboxylic acid hydrochloride
4-hydroxy-5-nitro-2-propylsulfanyl-1H-pyrimidin-6-one
2-[5-(ethoxycarbonylamino)-1,2,4-thiadiazol-3-yl]acetic acid
5,6-Difluoro-4-(trimethylsilyl)pyridine-2-carboxylic acid
4-(2,3-EPOXYPROPOXY)-2-METHYL-1(2H)-ISOQUINOLINONE
2-Naphthalenecarboxamide,3-hydroxy-N-(2-hydroxyethyl)-
3-HYDROXYMETHYL-1(2H)-PYRIDINECARBOXYLIC ACID, PHENYL ESTER
2-[[2-[(dimethylamino)methyl]-1,3-thiazol-4-yl]methylsulfanyl]ethanamine
1-isopropyl-4-oxo-1,4-dihydro-3-quinolinecarboxylic acid
Piperidin-4-yl(thiophen-2-yl)methanone hydrochloride
5-(2,5-DIMETHYL-PYRROL-1-YL)-2-HYDROXY-BENZOIC ACID
BENZENEMETHANAMINE, 2-BROMO-4-FLUORO-N,N-DIMETHYL-
C9H11BrFN (231.00588379999996)
4-(3,5-dimethyl-1,2-oxazol-4-yl)-3-methylbenzoic acid
tert-butyl N-(5-chloro-2-methylpyrazol-3-yl)carbamate
methyl 4-(aminocarbonyl)-5-(methylthio)thiophene-2-carboxylate
C8H9NO3S2 (231.00238439999998)
Methyl 4-amino-4,5,6,7-tetrahydrobenzofuran-3-carboxylate hydrochloride
2-(2,4-DIMETHOXYPHENYL)-2-OXOETHANAMINIUM CHLORIDE
3-Quinolinecarboxylicacid, 6-methoxy-, ethyl ester
Methanesulfonamide,N-(3-acetyl-4-fluorophenyl)-
C9H10FNO3S (231.03654020000002)
BENZENEMETHANAMINE, 4-BROMO-2-FLUORO-N,N-DIMETHYL-
C9H11BrFN (231.00588379999996)
2-AMINO-6,7-DIMETHYL-4-HYDROXY-5,6,7,8-TETRAHYDROPTERIDINE MONOHYDROCHLORIDE
C8H14ClN5O (231.08868239999998)
3-(4-HYDROXY-2-METHYL-QUINOLIN-3-YL)-PROPIONIC ACID
5-ACETOACETYLAMINOBENZOIMIDAZOLONE
C11H9N3O3 (231.06438839999998)
2-(4-TRIFLUOROMETHOXY-PHENYL)-PYRROLIDINE
C11H12F3NO (231.08709379999996)
2-[(2,2-DIMETHYL-4-OXO-3,4-DIHYDRO-2H-CHROMEN-7-YL)OXY]ACETONITRILE
2-(3,4-DIMETHOXY-PHENYL)-2-OXO-ETHYL-AMMONIUM, CHLORIDE
Methyl 2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetate
2-(2-Oxotetrahydrofuran-3-yl)-1H-isoindole-1,3(2H)-dione
3-(5-nitropyridin-2-yloxy)-2-methylpyridine
C11H9N3O3 (231.06438839999998)
n-(3-fluorophenyl)anthranilic acid
C13H10FNO2 (231.06955320000003)
5-Bromo-4-(dimethylamino)-2-methoxypyrimidine
C7H10BrN3O (231.00071899999998)
5-(3-METHYL-1H-INDAZOL-5-YL)-1,3,4-THIADIAZOL-2-AMINE
3-HYDROXY-2-OXO-3-TRIFLUOROMETHYL-6-METHYLINDOLINE
4-(4-Fluorobenzoyl)-1-methyl-1H-pyrrole-2-carbaldehyde
C13H10FNO2 (231.06955320000003)
5-Bromo-4-methoxy-N,N-dimethyl-2-pyrimidinamine
C7H10BrN3O (231.00071899999998)
3-AMINO-3-(2-HYDROXY-NAPHTHALEN-1-YL)-PROPIONIC ACID
Benzenamine, N,N-bis(2-chloroethyl)-3-methyl- (9CI)
8-ACETYL-7-METHYL-6H-1,2,5-OXADIAZOLO[3,4-E]INDOL-6-OL
C11H9N3O3 (231.06438839999998)
3-[3-(Trifluoromethyl)phenoxy]pyrrolidine
C11H12F3NO (231.08709379999996)
1H-pyrazole-1-acetamide, 4-bromo-3,5-dimethyl-
C7H10BrN3O (231.00071899999998)
2,2,2-Trifluoro-N-(4-isopropylphenyl)acetamide
C11H12F3NO (231.08709379999996)
1-[6-(Trifluoromethyl)pyridin-2-yl]piperazine
C10H12F3N3 (231.09832679999997)
N(2)-succinyl-L-ornithinate(1-)
A dicarboxylic acid monoanion that is the conjugate base of N(2)-succinyl-L-ornithine.
N-propan-2-yl-3-(trifluoromethyl)benzamide
C11H12F3NO (231.08709379999996)
2-(4-Methoxyphenyl)-5-nitropyrimidine
C11H9N3O3 (231.06438839999998)
methaniazide
C254 - Anti-Infective Agent > C52588 - Antibacterial Agent > C280 - Antitubercular Agent C254 - Anti-Infective Agent > C28394 - Topical Anti-Infective Agent
(5-Hydroxy-4,6-dimethylpyridin-3-yl)methyl phosphate
D018977 - Micronutrients > D014815 - Vitamins
4-(L-gamma-glutamylamino)Butanoate
Conjugate base of 4-(L-gamma-glutamylamino)butanoic acid.
Nalidixic acid anion
A monocarboxylic acid anion that is the conjugate base of nalidixic acid; major species at pH 7.3.
2-Hydroxy-7-methoxy-5-methyl-1-naphthoate
A member of the class of naphthoates that is 1-naphthoate substituted at positions 2, 5 and 7 by hydroxy, methyl and methoxy groups respectively; major species at pH 7.3.
4-Methyl-2-[(5-methyl-2-thiophenyl)methylideneamino]phenol
1-(2-Hydroxyethyl)chromeno[3,4-d]triazol-4-one
C11H9N3O3 (231.06438839999998)
5-Hydroxyxanthotoxin(1-)
A phenolate anion that is the conjugate base of 5-hydroxyxanthotoxin, obtained by deprotonation of the hydroxy group. It is the major microspecies at pH 7.3 (according to Marvin v 6.2.0.).
3-(2-chlorophenyl)-1-(1H-pyrrol-2-yl)-2-propen-1-one
(2R)-1-(3-mercapto-2,2-dimethyl-1-oxopropyl)-2-pyrrolidinecarboxylic acid
2-Amino-3-(2-chloro-3,4-dihydroxyphenyl)propanoic acid
4,5-Dihydrothiazolo[2,3-d][1,5]benzodiazepin-11-ium-6-carboxaldehyde
C12H11N2OS+ (231.05920559999998)
N-(2-aminoethyl)ethane-1,2-diamine;2-(chloromethyl)oxirane;hydrochloride
(3E)-5-methyl-3-[(N-methylanilino)methylidene]thiophen-2-one
(1-oxo-3a,4,7,7a-tetrahydro-1H-isoindol-3-yl)oxidanesulfonic acid
[(2R,3S,4S)-2,3,4,5-tetrahydroxypentyl] hydrogen phosphate
2-Amino-3-(2-chloro-4,5-dihydroxyphenyl)propanoic acid
2-Amino-3-(3-chloro-4,5-dihydroxyphenyl)propanoic acid
3-amino-7-methoxy-5H-pyrimido[5,4-b]indol-1-ium-4-one
Paracetamol sulfate
An aryl sulfate that is paracetamol in which the hydroxy group has been replaced by a sulfooxy group.
L-Proline, 1-(2-methyl-3-(methylthio)-1-oxopropyl)-, (S)-
N-succinyl-L-glutamic 5-semialdehyde
A dicarboxylic acid monoamide obtained by the formal condensation of amino group of L-glutamic 5-semialdehyde with one of the carboxy groups of succinic acid.
2-carbamoyl-3-methoxy-1,4-naphthoquinone
{"Ingredient_id": "HBIN005443","Ingredient_name": "2-carbamoyl-3-methoxy-1,4-naphthoquinone","Alias": "NA","Ingredient_formula": "C12H9NO4","Ingredient_Smile": "NA","Ingredient_weight": "231.2","OB_score": "NA","CAS_id": "144258-80-0","SymMap_id": "NA","TCMID_id": "NA","TCMSP_id": "NA","TCM_ID_id": "8674","PubChem_id": "NA","DrugBank_id": "NA"}