Exact Mass: 328.1423
Exact Mass Matches: 328.1423
Found 247 metabolites which its exact mass value is equals to given mass value 328.1423,
within given mass tolerance error 0.01 dalton. Try search metabolite list with more accurate mass tolerance error
0.001 dalton.
(2S)-4-{[(1R)-1-Carboxy-2-(1H-imidazol-4-yl)ethyl]amino}-2-[(1-carboxyethyl)amino]butanoate
Tiapride
Tiapride is a benzamide derivative with dopamine antagonist actions similar to sulpiride. It has been used as an antipsychotic and in the treatment of various movement disorders and alcoholism. D002492 - Central Nervous System Depressants > D014149 - Tranquilizing Agents > D014150 - Antipsychotic Agents D002491 - Central Nervous System Agents > D011619 - Psychotropic Drugs > D014149 - Tranquilizing Agents D018377 - Neurotransmitter Agents > D015259 - Dopamine Agents > D018492 - Dopamine Antagonists D002491 - Central Nervous System Agents > D002492 - Central Nervous System Depressants N - Nervous system > N05 - Psycholeptics > N05A - Antipsychotics > N05AL - Benzamides C78272 - Agent Affecting Nervous System > C66883 - Dopamine Antagonist
Phenylalanyltyrosine
Phenylalanyltyrosine is a dipeptide composed of phenylalanine and tyrosine. 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.
Perilloside B
Perilloside B is found in herbs and spices. Perilloside B is a constituent of perilla (Perilla frutescens). Constituent of perilla (Perilla frutescens). Perilloside B is found in herbs and spices.
3-Hydroxy-4-isopropylbenzyl alcohol 3-glucoside
3-Hydroxy-4-isopropylbenzyl alcohol 3-glucoside is a constituent of fruit of Carum ajowan (ajowan). Constituent of fruit of Carum ajowan (ajowan)
Cymorcin monoglucoside
Cymorcin monoglucoside is a constituent of the seeds of Carum copticum (ajowan) Constituent of the seeds of Carum copticum (ajowan).
Tyrosyl-Phenylalanine
Tyrosyl-Phenylalanine is a dipeptide composed of tyrosine and phenylalanine. 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.
Dictyoquinazol B
Dictyoquinazol B is found in mushrooms. Dictyoquinazol B is an alkaloid from Dictyophora indusiata. Alkaloid from Dictyophora indusiata. Dictyoquinazol B is found in mushrooms.
7-hydroxyolanzapine
7-hydroxyolanzapine is a metabolite of olanzapine. Olanzapine (trade name Zyprexa or in combination with fluoxetine Symbyax) is an atypical antipsychotic, approved by the FDA for the treatment of schizophrenia and bipolar disorder. Olanzapine is structurally similar to clozapine, but is classified as a thienobenzodiazepine. The olanzapine formulations are manufactured and marketed by the pharmaceutical company Eli Lilly and Company; the drug went generic in 2011. Sales of Zyprexa in 2008 were $2.2B in the US alone, and $4.7B in total. (Wikipedia)
2-hydroxymethylolanzapine
2-hydroxymethylolanzapine is a metabolite of olanzapine. Olanzapine (trade name Zyprexa or in combination with fluoxetine Symbyax) is an atypical antipsychotic, approved by the FDA for the treatment of schizophrenia and bipolar disorder. Olanzapine is structurally similar to clozapine, but is classified as a thienobenzodiazepine. The olanzapine formulations are manufactured and marketed by the pharmaceutical company Eli Lilly and Company; the drug went generic in 2011. Sales of Zyprexa in 2008 were $2.2B in the US alone, and $4.7B in total. (Wikipedia)
Bis(3-methoxysalicylidene)ethylenediamine
6-[(1R,2R,3S,5S)-2-[(Z)-4-Carboxybut-2-enyl]-3,5-dihydroxycyclopentyl]-4-oxohexanoic acid
(2S)-2-Amino-3-[4-[(2S)-2-amino-3-phenylpropanoyl]oxyphenyl]propanoic acid
(2S)-2-Amino-3-[3-[(2S)-2-amino-3-phenylpropanoyl]oxyphenyl]propanoic acid
5-[3-(tert-butyl)-1-(3-methylbenzyl)-1H-pyrazol-5-yl]-1,3,4-oxadiazole-2-thiol
(2S,3R,4S,5S,6R)-2-[4-(3-hydroxybutyl)phenoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
8-hydroxycuminyl beta-D-glucopyranoside|8-Hydroxycuminyl ??-D-glucopyranoside
3-(beta-D-Glucopyranosyloxymethyl)-2,4,4-trimethyl-2,5-cyclohexadien-1-one
1,1,5-trimethyl-2-hydroxymethyl-(2,5)-cyclohexadien-(4)-one-O-beta-D-glucopyranoside|1,1,5-trimethyl-2-hydroxymethyl-2,5-cyclohexadien-4-one-O-beta-D-glucopyranoside
(2R,3R)-1-phenyl-2,3-butanediol 2-O-beta-D-glucopyranoside|everlastoside I
3,6-Bis(1H-indole-3-yl)-1,2,5,6-tetrahydropyrazine-2-one
5-(1,5-dimethyl-3,4,8-trihydroxy-6-methoxy-7-oxabicyclo-[3,2,1]-oct-8-yl)-3-methyl-2,4pentadienoic acid
beta-D-glucopyranosyl 2,6,6-trimethylcyclohexa-1,3-diene-1-carboxylate|jasminoside J
(8R)-9-hydroxycuminyl beta-D-glucopyranoside|(8R)-9-Hydroxycuminyl ??-D-glucopyranoside
4-hydroxy-6-(hydroxy(phenyl)methyl)-N-(3-methylbutyryl)nicotinamide
(2S,3S)-1-phenyl-2,3-butanediol 3-O-beta-D-glucopyranoside|(2S,3S)-1-Phenyl-2,3-butanediol 3-O-??-D-glucopyranoside
1-formyl-3-(2-hydroxymethyl-4-methoxyphenyl)-6-methoxy-2,4-dihydroquinazoline|dictyoquinazol B
tiapride
D002492 - Central Nervous System Depressants > D014149 - Tranquilizing Agents > D014150 - Antipsychotic Agents D002491 - Central Nervous System Agents > D011619 - Psychotropic Drugs > D014149 - Tranquilizing Agents D018377 - Neurotransmitter Agents > D015259 - Dopamine Agents > D018492 - Dopamine Antagonists D002491 - Central Nervous System Agents > D002492 - Central Nervous System Depressants N - Nervous system > N05 - Psycholeptics > N05A - Antipsychotics > N05AL - Benzamides C78272 - Agent Affecting Nervous System > C66883 - Dopamine Antagonist CONFIDENCE standard compound; INTERNAL_ID 2278 CONFIDENCE standard compound; EAWAG_UCHEM_ID 3028
2-hydroxy-2-[2-oxo-2-[(4,7,7-trimethyl-3-bicyclo[2.2.1]heptanyl)oxy]ethyl]butanedioic acid
CPP_329.1415_17.9
CONFIDENCE Probable structure via diagnostic evidence, tentative identification (Level 2b); INTERNAL_ID 302
10phiC10SPC (STANDARD)
Auto-extracted from 131001_neg_02.mzML; CONFIDENCE Reference Standard (Level 1); Kindly provided by Jennifer Field, Oregon State University; Synthesis according to P.W. Taylor and G. Nickless, J. Chromotography, 178 (1979) 259-269.
SPA-10C (SAMPLE)
Auto-extracted from 131001_neg_03.mzML; CONFIDENCE Tentative identification: isomers possible (Level 3)
C16H24O7_4-(3-Hydroxybutyl)phenyl beta-D-glucopyranoside
C16H24O7_beta-D-Glucopyranoside, 5-(hydroxymethyl)-2-(1-methylethyl)phenyl
C16H24O7_beta-D-Glucopyranoside, 4-hydroxy-2-methyl-5-(1-methylethyl)phenyl
(2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-(4-hydroxy-2-methyl-5-propan-2-ylphenoxy)oxane-3,4,5-triol
(2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-(4-hydroxy-2-methyl-5-propan-2-ylphenoxy)oxane-3,4,5-triol_major
(2S,3R,4S,5S,6R)-2-[4-(3-hydroxybutyl)phenoxy]-6-(hydroxymethyl)oxane-3,4,5-triol_major
9,15-dioxo-11R-hydroxy-2,3,4,5-tetranor-prostan-1,20-dioic acid
Phe-Tyr
A dipeptide formed from L-phenylalanine and L-tyrosine residues.
Tyr-Phe
A dipeptide formed from L-tyrosine and L-phenylalanine residues.
Cymorcin monoglucoside
3-Hydroxy-4-isopropylbenzyl alcohol 3-glucoside
DICTYOQUINAZOL B
Perilloside B
3-(1H-IMIDAZOL-4-YL)PROPYL-DI(4-FLUORO-PHENYL)-METHYL ETHER HCL
(S)-3-(benzylamino)-2-(benzyloxycarbonylamino)propanoic acid
4-(2-(pyridin-2-yl)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl)quinolin-7-ol
(5R)-3-amino-7-methyl-5,9-diphenyl-2-oxa-8,9-diazabicyclo[4.3.0]nona-3,7,10-triene-4-carbonitrile
4-(4,6-Dimethoxy-1,3,5-triazin-2-yl)-4-methylmorpholinium tetrafluoroborate
N-[(1R)-2-Amino-1-(4-methoxyphenyl)-2-oxoethyl]-4-methoxybenzeneacetamide
tert-butyl N-[2-[5-(trifluoromethyl)-1H-indol-3-yl]ethyl]carbamate
2-(3-hydroxypropyl)-6-[(3-hydroxypropyl)amino]-1H-benz[de]isoquinoline-1,3(2H)-dione
(2R)-3-Carboxy-N,N,N-trimethyl-2-(propionyloxy)-1-propanaminium chloride - glycine (1:1:1)
2,3:4,5-Bis-O-(1-methylethylidene)-beta-D-fructopyranose 1-(2-methyl-2-propenoate)
diethyl 4,4-diaMino-[1,1-biphenyl]-2,2-dicarboxylate
2-(5-Butoxy-4-chloro-2-fluorophenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
7-amino-N-cyclohexyl-1-methyl-2-thiazolo[3,2-a]benzimidazolecarboxamide
N-(4-chlorophenyl)-2-phenyl-N-piperidin-4-ylacetamide
N,N-bis(2-hydroxy-3-Methoxy-benzylidene)ethylenediaMine
D000893 - Anti-Inflammatory Agents > D000894 - Anti-Inflammatory Agents, Non-Steroidal > D012459 - Salicylates
N-[2-[2-(2-acetamidophenoxy)ethoxy]phenyl]acetamide
N-cyclohexyl-2-[[6-(2-pyridinyl)-3-pyridazinyl]thio]acetamide
2-(2-Hydroxy-biphenyl)-1h-benzoimidazole-5-carboxamidine
(2S)-4-(2,5-Difluorophenyl)-N,N-dimethyl-2-phenyl-2,5-dihydro-1H-pyrrole-1-carboxamide
(2S)-2-amino-5-oxo-5-[(4-phenylmethoxyphenyl)amino]pentanoic acid
2-Amino-3-[4-Hydroxy-6-Oxo-3-(2-Phenyl-Cyclopropylimino)-Cyclohexa-1,4-Dienyl]-Propionic Acid
4-(4-chlorophenyl)-N-(pyridin-2-ylmethyl)cyclohexane-1-carboxamide
1-{4-[(4-Chlorophenyl)(phenyl)methyl]piperazin-1-yl}ethan-1-one
N-methyl-N-phenyl-4-pyrimidin-5-yl-1H-indole-2-carboxamide
(2S)-2-(1-carboxyethylamino)-4-[[(1S)-1-carboxy-2-(1H-imidazol-5-yl)ethyl]amino]butanoic acid
(2S)-2-Amino-3-[4-[(2S)-2-amino-3-phenylpropanoyl]oxyphenyl]propanoic acid
7-[2-(3-carboxypropyl)-3-oxocyclopentyl]-7-hydroxy-5-oxoheptanoic acid
6-[2-[(E)-4-carboxybut-2-enyl]-3,5-dihydroxycyclopentyl]-4-oxohexanoic acid
6-methyl-2-oxo-5-[oxo-(1-phenylethylamino)methyl]-1H-pyridine-3-carboxylic acid ethyl ester
4-[[[(2-Methoxyphenyl)methylamino]-oxomethyl]amino]benzoic acid ethyl ester
5-Methyl-2-phenyl-4-[(3-quinolinylamino)methylidene]-3-pyrazolone
2-Butyl-3-[(3-chlorophenyl)methyl]-5-methyl-6-imidazo[4,5-b]pyridinamine
6-(butan-2-ylthio)-1-(3,4-dimethylphenyl)-2H-pyrazolo[3,4-d]pyrimidin-4-one
2-[[[2-(2-Methoxyphenyl)ethylamino]-oxomethyl]amino]benzoic acid methyl ester
(1S)-2-(1H-indol-3-yl)-1-[5-(3-methylbut-2-enylthio)-1,3,4-oxadiazol-2-yl]ethanamine
N-[(2S,3S,6R)-6-(2-aminoethyl)-2-(hydroxymethyl)-3-oxanyl]-1-phenylmethanesulfonamide
[(1R,2aS,8bS)-2-[(2-chlorophenyl)methyl]-4-methyl-1,2a,3,8b-tetrahydroazeto[2,3-c]quinolin-1-yl]methanol
N-[(2S,3R,6S)-6-(2-aminoethyl)-2-(hydroxymethyl)-3-oxanyl]-1-phenylmethanesulfonamide
N-[(2S,3R,6R)-6-(2-aminoethyl)-2-(hydroxymethyl)-3-oxanyl]-1-phenylmethanesulfonamide
N-[(2S,3S,6S)-6-(2-aminoethyl)-2-(hydroxymethyl)-3-oxanyl]-1-phenylmethanesulfonamide
N-[(2R,3R,6S)-6-(2-aminoethyl)-2-(hydroxymethyl)-3-oxanyl]-1-phenylmethanesulfonamide
[(1S,2aS,8bS)-2-[(2-chlorophenyl)methyl]-4-methyl-1,2a,3,8b-tetrahydroazeto[2,3-c]quinolin-1-yl]methanol
N-[(2R,3S,6R)-6-(2-aminoethyl)-2-(hydroxymethyl)-3-oxanyl]-1-phenylmethanesulfonamide
N-[(2R,3R,6R)-6-(2-aminoethyl)-2-(hydroxymethyl)-3-oxanyl]-1-phenylmethanesulfonamide
N-[(2R,3S,6S)-6-(2-aminoethyl)-2-(hydroxymethyl)-3-oxanyl]-1-phenylmethanesulfonamide
[(1S,2aR,8bR)-2-[(2-chlorophenyl)methyl]-4-methyl-1,2a,3,8b-tetrahydroazeto[2,3-c]quinolin-1-yl]methanol
[(1R,2aR,8bR)-2-[(2-chlorophenyl)methyl]-4-methyl-1,2a,3,8b-tetrahydroazeto[2,3-c]quinolin-1-yl]methanol
2-Isopropyl-5-(hydroxymethyl)phenyl beta-D-glucopyranoside
2-Hydroxy-2-[2-oxo-2-[(4,7,7-trimethyl-3-bicyclo[2.2.1]heptanyl)oxy]ethyl] butanedioic acid
2-Amino-3-cyano-4,8-bis(methoxymethyl)azulene-1-carboxylic acid ethyl ester
1-(4-Methoxyphenyl)-1,3-bis(methylthio)-4-(trimethylsilyl)butane
8,13-Dioxo-5,6,7,8,13,14,15,16-octahydro-6,15-methanobenzo(A)naphtho(2,3-F)cyclodecene
9,12-Dioxo-5,6,7,9,12,14,15,16-octahydro-6,15-methanobenzo(A)naphtho(2,3-F)cyclodecene
alpha-L-Fucp-(1->2)-D-Man-OH
An alpha-L-fucoside resulting from the formal condensation of the hydroxy group at position 2 of D-mannitol with alpha-L-fucose.
prostaglandin E2-UM
A prostanoid that is prostaglandin E2 in which the acyclic hydroxy group has been oxidised to the corresponding ketone, the methyl group has been oxidised to the corresponding carboxylic acid and the 6-carboxyhexenyl group has been oxidatively cleaved to a 2-carboxyethyl group. It is the major urinary metabolite of prostaglandin E2.
alpha-L-Fucp-(1->3)-D-mannitol
A disaccharide that is D-mannitol in which the hydroxy group at position 3 has been converted into the corresponding alpha-L-fucoside.
(2e,4e)-3-methyl-5-[(1s,2s,3r,5r,7r,8s)-2,3,8-trihydroxy-7-methoxy-1,5-dimethyl-6-oxabicyclo[3.2.1]octan-8-yl]penta-2,4-dienoic acid
2-(2-hydroxy-5-isopropyl-4-methylphenoxy)-6-(hydroxymethyl)oxane-3,4,5-triol
2,4,4-trimethyl-3-({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)cyclohexa-2,5-dien-1-one
(4s,8r,13r,16r)-4,13-dihydroxy-8,16-dimethyl-1,9-dioxacyclohexadec-11-ene-2,5,10-trione
3-methyl-5-[(1s,2s,3r,5r,7r,8s)-2,3,8-trihydroxy-7-methoxy-1,5-dimethyl-6-oxabicyclo[3.2.1]octan-8-yl]penta-2,4-dienoic acid
(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl (4s)-4-(prop-1-en-2-yl)cyclohex-1-ene-1-carboxylate
2-(4-hydroxy-2-isopropyl-5-methylphenoxy)-6-(hydroxymethyl)oxane-3,4,5-triol
(2s,3r,4s,5s,6r)-2-(2-hydroxy-5-isopropyl-4-methylphenoxy)-6-(hydroxymethyl)oxane-3,4,5-triol
(2s,4s)-4-(acetyloxy)-5-[(1s,3s,5r)-7-oxo-2,6-dioxabicyclo[3.3.1]nonan-3-yl]pentan-2-yl acetate
(3r,4s,5s,6r)-2-(2-hydroxy-6-isopropyl-3-methylphenoxy)-6-(hydroxymethyl)oxane-3,4,5-triol
2-isopropyl-5-methyl-1,4-benzenediol; 5-o-beta-d-glucopyranoside
{"Ingredient_id": "HBIN005854","Ingredient_name": "2-isopropyl-5-methyl-1,4-benzenediol; 5-o-beta-d-glucopyranoside","Alias": "NA","Ingredient_formula": "C16H24O7","Ingredient_Smile": "NA","Ingredient_weight": "328.36","OB_score": "NA","CAS_id": "95645-53-7","SymMap_id": "NA","TCMID_id": "NA","TCMSP_id": "NA","TCM_ID_id": "8600","PubChem_id": "NA","DrugBank_id": "NA"}
7-hydroxythymol 3-o-β-d-glucopyranoside
{"Ingredient_id": "HBIN013291","Ingredient_name": "7-hydroxythymol 3-o-\u03b2-d-glucopyranoside","Alias": "NA","Ingredient_formula": "C16H24O7","Ingredient_Smile": "Not Available","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "10763","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
8-hydroxycuminyl β-d-glucopyranoside
{"Ingredient_id": "HBIN013776","Ingredient_name": "8-hydroxycuminyl \u03b2-d-glucopyranoside","Alias": "NA","Ingredient_formula": "C16H24O7","Ingredient_Smile": "Not Available","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "9949","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
(8r)-9-hydroxycuminyl β-d-glucopyranoside
{"Ingredient_id": "HBIN013895","Ingredient_name": "(8r)-9-hydroxycuminyl \u03b2-d-glucopyranoside","Alias": "NA","Ingredient_formula": "C16H24O7","Ingredient_Smile": "CC(CO)C1=CC=C(C=C1)COC2C(C(C(C(O2)CO)O)O)O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "9950","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
