Exact Mass: 218.079
Exact Mass Matches: 218.079
Found 249 metabolites which its exact mass value is equals to given mass value 218.079,
within given mass tolerance error 0.01 dalton. Try search metabolite list with more accurate mass tolerance error
0.001 dalton.
1-Hydroxypyrene
1-Hydroxypyrene is a metabolite of the noncarcinogen pyrene found in urine that is always a component of PAH mixtures. 1-hydroxypyrene is an accepted biomarker of carcinogenic Polycyclic aromatic hydrocarbons (PAH) dose(PMID: 15159317). PAH are a diverse group of environmental carcinogens formed during the incomplete combustion of organic matter. PAHs are believed to play an important role as causes of human cancer, particularly in certain occupational settings and in cigarette smokers. (PMID: 15247141) [HMDB] 1-Hydroxypyrene is a metabolite of the noncarcinogen pyrene found in urine that is always a component of PAH mixtures. 1-Hydroxypyrene is an accepted biomarker of carcinogenic polycyclic aromatic hydrocarbons (PAHs) dose (PMID: 15159317). PAHs are a diverse group of environmental carcinogens formed during the incomplete combustion of organic matter. PAHs are believed to play an important role as causes of human cancer, particularly in certain occupational settings and in cigarette smokers (PMID: 15247141). CONFIDENCE standard compound; INTERNAL_ID 500; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 5366; ORIGINAL_PRECURSOR_SCAN_NO 5365 CONFIDENCE standard compound; INTERNAL_ID 500; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 5365; ORIGINAL_PRECURSOR_SCAN_NO 5363 CONFIDENCE standard compound; INTERNAL_ID 500; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 5373; ORIGINAL_PRECURSOR_SCAN_NO 5371 CONFIDENCE standard compound; INTERNAL_ID 500; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 5353; ORIGINAL_PRECURSOR_SCAN_NO 5351 CONFIDENCE standard compound; INTERNAL_ID 500; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 5367; ORIGINAL_PRECURSOR_SCAN_NO 5365 CONFIDENCE standard compound; INTERNAL_ID 500; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 5334; ORIGINAL_PRECURSOR_SCAN_NO 5333 CONFIDENCE standard compound; INTERNAL_ID 44 D009676 - Noxae > D009153 - Mutagens 1-Hydroxypyrene, a biomarker of exposure to polycyclic aromatic hydrocarbons (PAHs), is analyzed in urine samples. 1-Hydroxypyrene is the major biomarker of exposure to pyrenes[1].
Triacetin
Triacetin is found in fruits. Triacetin is a flavouring agent, adjuvant; formulation aid, humectant, solvent and vehicle. Triacetin is present in papaya (Carica papaya Triacetin is a flavouring agent, and an adjuvant. It is found in papaya (Carica papaya) and fruits. D000890 - Anti-Infective Agents > D000935 - Antifungal Agents D012997 - Solvents Triacetin is a synthetic compound that is a triester of glycerol and acetic acid.
Cysteinyl-Proline
Cysteinyl-Proline is a dipeptide composed of cysteine and proline. 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.
Prolyl-Cysteine
Prolyl-Cysteine is a dipeptide composed of proline and cysteine. 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.
(S)-3-[(Cyanophenylmethyl)amino]-3-oxopropanoic acid
(S)-3-[(Cyanophenylmethyl)amino]-3-oxopropanoic acid is found in pulses. (S)-3-[(Cyanophenylmethyl)amino]-3-oxopropanoic acid is a metabolite of Phoxim
4-[4-(Dimethylamino)phenyl]-3H-1,2,4-triazole-3,5(4H)-dione
3,7-Dimethyl-1-propargylxanthine
D018377 - Neurotransmitter Agents > D058905 - Purinergic Agents > D058914 - Purinergic Antagonists
9-Anthryldiazomethane
D019995 - Laboratory Chemicals > D007202 - Indicators and Reagents > D049408 - Luminescent Agents D004396 - Coloring Agents > D005456 - Fluorescent Dyes
Vasicinolone
Pyrrolo(2,1-b)quinazolin-9(1H)-one, 2,3-dihydro-3,7-dihydroxy-, (3S)- is a natural product found in Justicia adhatoda with data available.
Tri-Me ether,dinitrile-3,5-Di-Me ether-3,4,5-Trihydroxy-1,2-benzenedicarboxylic acid
2,3-O-Isopropylidene,Me ester-beta-D-Furanose-Riburonic acid
6beta,7beta,8alpha,10-tetrahydroxy-cis-2-oxabicyclo[4.3.0]nonan-3-one
(+)-(S)-2-(3-hydroxy-4-methoxy-2-oxoindolin-3-yl)acetonitrile
9--nona-4,6-dien-8-in-3-ol|9-thiophen-2-yl-nona-4,6-dien-8-yn-3-ol
1,2-O-Isopropylidene,Me ester-alpha-D-Furanose-Riburonic acid
3,4,5-Trihydroxy-6-methoxycyclohexene-1-carboxylic acid methyl ester
triacetin
A triglyceride obtained by acetylation of the three hydroxy groups of glycerol. It has fungistatic properties (based on release of acetic acid) and has been used in the topical treatment of minor dermatophyte infections. D000890 - Anti-Infective Agents > D000935 - Antifungal Agents D012997 - Solvents CONFIDENCE Reference Standard (Level 1); INTERNAL_ID 4 Triacetin is a synthetic compound that is a triester of glycerol and acetic acid.
Cys-pro
A dipeptide composed of L-cysteine and L-proline joined by a peptide linkage.
2,4(1H,3H)-Pyrimidinedione,5-[(4-hydroxyphenyl)methyl]-
3-(3-OXO-3,4-DIHYDRO-QUINOXALIN-2-YL)-PROPIONIC ACID
3-(3-METHYL-5-OXO-4,5-DIHYDRO-PYRAZOL-1-YL)-BENZOIC ACID
ethyl 2-oxo-2-(1H-pyrrolo[3,2-c]pyridin-3-yl)acetate
ethyl 2-oxo-2-(1H-pyrrolo[2,3-c]pyridin-3-yl)acetate
Benzoic acid, 3-amino-4-(1H-1,2,4-triazol-1-yl)-, methyl ester
(4S,5S)-2,2-DIMETHYL-1,3-DIOXOLANE-4,5-DICARBOXYLIC ACID DIMETHYL ESTER
TERT-BUTYL (1-CYANO-2,2-DIFLUOROCYCLOPROPYL)CARBAMATE
1H-Imidazole,1-ethyl-2-[2-(3-methyl-2-thienyl)ethenyl]-(9CI)
Urea, (3,4-dihydro-7-methyl-3-oxo-2-quinoxalinyl)- (9CI)
C-[2-(3,5-DIMETHYL-PHENYL)-THIAZOL-4-YL]-METHYLAMINE
4-hydroxy-[1,6]naphthyridine-3-carboxylic acid ethyl ester
2-Oxo-6-phenyl-1,2,3,6-tetrahydro-pyrimidine-4-carboxylic acid
6-OXO-1-PHENYL-1,4,5,6-TETRAHYDRO-PYRIDAZINE-3-CARBOXYLIC ACID
Ethyl 1-formylimidazo[1,5-a]pyridine-3-carboxylate
1,3-Dioxolane-2,2-diaceticacid, 2,2-dimethyl ester
3-(Dimethylamino)-2-(2-fluorobenzoyl)acrylonitrile
N-METHYL-N-[3-(2-METHYL-1,3-THIAZOL-4-YL)BENZYL]AMINE
N-methyl-1-(4-methyl-2-phenyl-1,3-thiazol-5-yl)methanamine
2-Oxo-1,2-dihydro-[1,8]naphthyridine-3-carboxylic acid ethyl ester
5-(3-METHOXY-PHENYL)-2H-PYRAZOLE-3-CARBOXYLIC ACID
3-(DIMETHYLAMINO)-2-(4-FLUOROBENZOYL)ACRYLONITRILE
METHYL 2-CYANO-3,4-DIHYDRO-2H-BENZO[B][1,4]OXAZINE-6-CARBOXYLATE
1-(2-HYDROXY-PHENYL)-5-OXO-PYRROLIDINE-3-CARBOXYLICACID
methyl 3-methyl-4-oxidoquinoxalin-4-ium-2-carboxylate
N-((3-METHYLTHIEN-2-YL)METHYL)-N-(PYRIDIN-2-YLMETHYL)AMINE
Benzeneacetic acid, 4-(5-methyl-1H-tetrazol-1-yl)- (9CI)
1-ALLYL-7-METHYL-1H-PYRIDO[2,3-D][1,3]OXAZINE-2,4-DIONE
ethyl 2-oxo-2-(1H-pyrrolo[2,3-b]pyridin-3-yl)acetate
3-Ethyl-4-oxo-3,4-dihydro-phthalazine-1-carboxylic acid
8-Methyl-2,8-diazaspiro[4.5]decane-1,3-dione hydrochloride (1:1)
1-(5-FLUORO-2-PYRIDINYL)-4-OXO-CYCLOHEXANECARBONITRILE
Propanedioic acid,2-(acetyloxy)-, 1,3-diethyl ester
2-CYANO-3-(PYRAZIN-2-YLAMINO)-ACRYLIC ACID ETHYL ESTER
N-(3-HYDROXYPHENYL)-5-METHYLISOXAZOLE-3-CARBOXAMIDE
6,7-dimethyl-3-oxo-4H-quinoxaline-2-carboxylic acid
2-METHOXYCARBONYL-2-METHYL-SUCCINIC ACIDDIMETHYL ESTER
Thiourea,N-2,3-butadienyl-N-(4-methylphenyl)- (9CI)
Ethyl 4-oxo-4H-pyrido[1,2-a]pyrimidine-3-carboxylate
methyl 2-oxo-5,6-trimethylene-3-cyano-1,2-dihydropyridine-4-carboxylate
3-(4-methoxy-phenyl)-1h-pyrazole-4-carboxylic acid
7-methoxy-4-oxo-1,4-dihydro-6-quinolinecarboxamide
Methyl 5-oxo-1-phenyl-2,5-dihydro-1H-pyrazole-3-carboxylate
5-amino-3-methyl-6-pyridin-4-yl-1H-pyrimidine-2,4-dione
Methyl 5-hydroxy-1-phenyl-1H-pyrazole-3-carboxylate
3-(DIMETHYLAMINO)-2-(3-FLUOROBENZOYL)ACRYLONITRILE
(3-Methyl-4-oxo-3,4-dihydro-phthalazin-1-yl)-acetic acid
(4-CYCLOPROPYL-6-TRIFLUOROMETHYL-PYRIMIDIN-2-YL)-HYDRAZINE
1-Phthalazineaceticacid, 3,4-dihydro-4-oxo-, hydrazide
1H-1,2,3-Triazole-4-carboxylicacid, 5-amino-1-(phenylmethyl)-
4-[4-(Dimethylamino)phenyl]-3H-1,2,4-triazole-3,5(4H)-dione
4-(3-methyl-5-oxo-2,5-dihydro-1H-pyrazol-1-yl)benzoic acid
1-(3-Aminophenyl)-4-triazolecarboxylic acid methyl ester
3,7-Dihydroxy-2,3-dihydropyrrolo[2,1-b]quinazolin-9(1H)-one
3-Carboxymethyl-6-methyl-4H-pyrido[1,2-a]pyrimidin-4-one
4-(4-Fluoro-phenylazo)-5-imino-5H-pyrazol-3-ylamine
Indolmycenate
A (2S)-2-hydroxy monocarboxylic acid anion that is the conjugate base of indolmycenic acid, obtained by deprotonation of the carboxy group; major species at pH 7.3.
1-(2-Phenylethyl)imidazolidine-2,4,5-trione
An imidazolidinone that is parabanic acid substituted by a 2-phenylethyl group at position 1.
5-methyl-N-(1H-pyrrol-2-ylmethylene)-3-isoxazolecarbohydrazide
1-ethyl-3-sulfanylidene-5,6,7,8-tetrahydro-2H-isoquinoline-4-carbonitrile
N-(3,4-dihydro-2H-pyrrol-5-yl)-5-(2-furanyl)-1,3,4-oxadiazol-2-amine
1-HYDROXYPYRENE
D009676 - Noxae > D009153 - Mutagens 1-Hydroxypyrene, a biomarker of exposure to polycyclic aromatic hydrocarbons (PAHs), is analyzed in urine samples. 1-Hydroxypyrene is the major biomarker of exposure to pyrenes[1].
(S)-3-[(Cyanophenylmethyl)amino]-3-oxopropanoic acid
AR-R17779 (hydrochloride)
AR-R17779 hydrochloride is a potent and selective full agonist of nAChR, with Kis of 92 and 16000 nM for α7 and α4β2 subtype, respectively. AR-R17779 hydrochloride can improve learning and memory in rats. AR-R17779 hydrochloride also has anxiolytic activity. AR-R17779 hydrochloride can reduce inflammation by activating antiinflammatory cholinergic (vagal) pathways[1][2][4].
[(3s,4s,5s,6s)-3,4,5,6-tetrahydroxycyclohex-1-en-1-yl]methyl acetate
3-(hydroxymethyl)-7-(methylamino)isoquinoline-5,8-dione
[(1r,4r,5s)-4,5-dihydroxy-2,3-bis(hydroxymethyl)cyclopent-2-en-1-yl]acetic acid
7-hydroxy eucommicacid
{"Ingredient_id": "HBIN013279","Ingredient_name": "7-hydroxy eucommicacid","Alias": "NA","Ingredient_formula": "C9H14O6","Ingredient_Smile": "C(C1C(C(C(=C1CO)CO)O)O)C(=O)O","Ingredient_weight": "218.2 g/mol","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "10106","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "10932892","DrugBank_id": "NA"}
