Exact Mass: 222.133
Exact Mass Matches: 222.133
Found 500 metabolites which its exact mass value is equals to given mass value 222.133
,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
(+)-Dehydrovomifoliol
(+)-dehydrovomifoliol, also known as (6s)-6-hydroxy-3-oxo-alpha-ionone, is a member of the class of compounds known as sesquiterpenoids. Sesquiterpenoids are terpenes with three consecutive isoprene units. Thus, (+)-dehydrovomifoliol is considered to be an isoprenoid lipid molecule (+)-dehydrovomifoliol is practically insoluble (in water) and a very weakly acidic compound (based on its pKa). (+)-dehydrovomifoliol can be found in rice, which makes (+)-dehydrovomifoliol a potential biomarker for the consumption of this food product. (6S)-dehydrovomifoliol is a dehydrovomifoliol that has S-configuration at the chiral centre. It has a role as a plant metabolite. It is an enantiomer of a (6R)-dehydrovomifoliol. Dehydrovomifoliol is a natural product found in Psychotria correae, Dendrobium loddigesii, and other organisms with data available.
3-Isobutyl-1-methylxanthine
D004791 - Enzyme Inhibitors > D010726 - Phosphodiesterase Inhibitors
zectran
C471 - Enzyme Inhibitor > C47792 - Acetylcholinesterase Inhibitor
3-Hydroxymonoethylglycinexylidide
3-Hydroxymonoethylglycinexylidide is a metabolite of lidocaine. Lidocaine, Xylocaine, or lignocaine is a common local anesthetic and antiarrhythmic drug. Lidocaine is used topically to relieve itching, burning and pain from skin inflammations, injected as a dental anesthetic or as a local anesthetic for minor surgery. (Wikipedia)
Dehydrovomifoliol
Isolated from rice husks (Oryza sativa L. cv Koshihikari). Dehydrovomifoliol is found in tea, cereals and cereal products, and common grape. Dehydrovomifoliol is found in cereals and cereal products. Dehydrovomifoliol is isolated from rice husks (Oryza sativa L. cv Koshihikari).
1-Hydroxyibuprofen
1-Hydroxyibuprofen is a metabolite of ibuprofen. Ibuprofen is a nonsteroidal anti-inflammatory drug (NSAID) used for relief of symptoms of arthritis, fever, as an analgesic (pain reliever), especially where there is an inflammatory component, and dysmenorrhea. Ibuprofen is known to have an antiplatelet effect, though it is relatively mild and somewhat short-lived when compared with aspirin or other better-known antiplatelet drugs. (Wikipedia)
Isopropyl beta-D-glucoside
Isopropyl beta-D-glucoside is found in herbs and spices. Isopropyl beta-D-glucoside is present in fenne Present in fennel. Isopropyl beta-D-glucoside is found in herbs and spices.
(all-E)-1,7,9-Heptadecatriene-11,13,15-triyne
(all-E)-1,7,9-Heptadecatriene-11,13,15-triyne is a constituent of Artemisia vulgaris (mugwort)
Annuionone B
Annuionone B is found in fats and oils. Annuionone B is a constituent of Helianthus annuus (sunflower) Constituent of Helianthus annuus (sunflower). Annuionone B is found in sunflower and fats and oils.
Isoamyl p-anisate
Isoamyl p-anisate is a food flavouring agent. Food flavouring agent
2-Hydroxyibuprofen
2-Hydroxyibuprofen is a metabolite of ibuprofen. Ibuprofen is a nonsteroidal anti-inflammatory drug (NSAID) used for relief of symptoms of arthritis, fever, as an analgesic (pain reliever), especially where there is an inflammatory component, and dysmenorrhea. Ibuprofen is known to have an antiplatelet effect, though it is relatively mild and somewhat short-lived when compared with aspirin or other better-known antiplatelet drugs. (Wikipedia)
3-Hydroxyibuprofen
3-Hydroxyibuprofen is a metabolite of ibuprofen. Ibuprofen is a nonsteroidal anti-inflammatory drug (NSAID) used for relief of symptoms of arthritis, fever, as an analgesic (pain reliever), especially where there is an inflammatory component, and dysmenorrhea. Ibuprofen is known to have an antiplatelet effect, though it is relatively mild and somewhat short-lived when compared with aspirin or other better-known antiplatelet drugs. (Wikipedia)
Hexyl salicylic acid
Hexyl salicylic acid belongs to the class of organic compounds known as benzoic acid esters. These are ester derivatives of benzoic acid. D000893 - Anti-Inflammatory Agents > D000894 - Anti-Inflammatory Agents, Non-Steroidal > D012459 - Salicylates
3-Methyl-1-(2-methylpropyl)-7H-purine-2,6-dione
3-Hexylsalicylic acid
D000893 - Anti-Inflammatory Agents > D000894 - Anti-Inflammatory Agents, Non-Steroidal > D012459 - Salicylates
3,5-Diisopropylsalicylic acid
D000893 - Anti-Inflammatory Agents > D000894 - Anti-Inflammatory Agents, Non-Steroidal > D012459 - Salicylates
3,7-Dihydro-8-methyl-3-(2-methylpropyl)-1H-purine-2,6-dione
Morinamide
J - Antiinfectives for systemic use > J04 - Antimycobacterials > J04A - Drugs for treatment of tuberculosis C254 - Anti-Infective Agent > C52588 - Antibacterial Agent > C280 - Antitubercular Agent
Nicametate
C78274 - Agent Affecting Cardiovascular System > C29707 - Vasodilating Agent D002317 - Cardiovascular Agents > D014665 - Vasodilator Agents
3-Methyl-8-(2-methylpropyl)-7H-purine-2,6-dione
9-Methyl-3-(2-methylpropyl)purine-2,6-dione
3-Methyl-9-(2-methylpropyl)purine-2,6-dione
Methyl 3-epi-4,5-didehydrojasmonate
Constituent of Jasminum species Methyl 3-epi-4,5-didehydrojasmonate is found in tea and herbs and spices.
Sodium dodecanoate
It is used in foods as a binder, emulsifier and anticaking agent
Tetraglyme
CONFIDENCE standard compound; INTERNAL_ID 2480 CONFIDENCE standard compound; INTERNAL_ID 8837 CONFIDENCE standard compound; EAWAG_UCHEM_ID 3164
2,4,6-Tri-O-methyl-D-glucopyranose|2,4,6-tri-O-methyl-D-glucose|2,4,6-tri-O-methylglucopyranose|2,4,6-tri-O-methylglucose|2,4,6-trimethyl-D-glucose|O2,O4,O6-trimethyl-D-glucose
3,4-dimethoxy-6-(methoxymethyl)-tetrahydro-2h-pyran-2,5-diol
5-methyl-2-(2,2,4-trimethyl-1,3-dioxolan-4-yl)phenol|acetone thymol 8,9-diyl ketal
4-Isopropyl-3-methoxybenzylacetat|7-acetoxythymol methyl ether
(E,4R)-4-hydroxy-4,5,5-trimethyl-3-(3-oxobut-1-enyl)cyclohex-2-enone
(3R,4S)-6,8-dihydroxy-3,4,5,7-tetramethylisochroman
3,4,6-Tri-Me-Glc|3,4,6-tri-O-methyl-D-glucose|3,4,6-tri-O-methylglucose|D-gluco-2,5-Dihydroxy-3,4,6-trimethoxy-hexanal|O3,O4,O6-trimethyl-D-glucose
alpha-Methyl-7-(2-hydroxyethyl)-3,4-dihydro-2H-1-benzopyran-2-methanol
2,4,6-Tri-O-methyl-mannose|2.4.6-Tri-O-methyl-D-mannose|D-manno-3,5-Dihydroxy-2,4,6-trimethoxy-hexanal|O2,O4,O6-trimethyl-D-mannose
2,3,4,-Tri-O-methyl-D-galactose|2,3,4-Tri-O-methyl-D-galactopyranose|2,3,4-tri-O-methyl-D-galactose|2,3,4-Tri-O-methyl-D-galaktose|2,3,4-Tri-O-methylgalactose|O2,O3,O4-trimethyl-D-galactose
2-Hydroxy-5-(1-hydroxyethyl)-beta-methylbutyrophenone
Benzeneacetaldehyde, .alpha.-(2-phenylethylidene)-
(E)-6-(hex-2-en-2-yl)-4-methoxy-3-methyl-2H-pyran-2-one|aplysiopsene C
(E)-4-methoxy-3-methyl-6-(4-methylpent-2-en-2-yl)-2H-pyran-2-one|aplysiopsene B
(2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-propan-2-yloxyoxane-3,4,5-triol
Hexylparaben
CONFIDENCE standard compound; INTERNAL_ID 1384; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 5332; ORIGINAL_PRECURSOR_SCAN_NO 5329 CONFIDENCE standard compound; INTERNAL_ID 1384; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 5339; ORIGINAL_PRECURSOR_SCAN_NO 5335 CONFIDENCE standard compound; INTERNAL_ID 1384; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 5308; ORIGINAL_PRECURSOR_SCAN_NO 5303 CONFIDENCE standard compound; INTERNAL_ID 1384; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 5337; ORIGINAL_PRECURSOR_SCAN_NO 5334 INTERNAL_ID 1384; DATASET 20200303_ENTACT_RP_MIX506; CONFIDENCE standard compound; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 5337; ORIGINAL_PRECURSOR_SCAN_NO 5334 ORIGINAL_ACQUISITION_NO 5351; CONFIDENCE standard compound; INTERNAL_ID 1384; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_PRECURSOR_SCAN_NO 5350 CONFIDENCE standard compound; INTERNAL_ID 1384; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 5351; ORIGINAL_PRECURSOR_SCAN_NO 5350
(10betaH,11xi)-11-Hydroxy-13-nor-6-eremophilen-8-one
2-Methyl-2-propanyl 3-(methylamino)-1-azetidinecarboxylate hydroc hloride (1:1)
tert-Butyl 3,4-dihydropyrrolo[1,2-a]pyrazine-2(1H)-carboxylate
tert-butyl N-(azetidin-3-ylmethyl)carbamate hydrochloride
tert-Butyl 3-(aminomethyl)azetidine-1-carboxylate hydrochloride
(2-AMINO-5,6-DIHYDRO-4H-CYCLOPENTA[B]THIOPHEN-3-YL)-(4-CHLORO-PHENYL)-METHANONE
(3-AMINO-2-METHYL-PHENYL)-CARBAMIC ACID TERT-BUTYL ESTER
Poly(3-decylthiophene-2,5-diyl), regioregular Electronic Grade
(Azetidin-3-yl)(methyl)carbamic acid tert-butyl ester hydrochloride
(2S,3S)-3-Amino-N-cyclopropyl-2-hydroxyhexanamide hydrochloride
4(1H)-Pyrimidinone,6-(4-ethyl-1-piperazinyl)-,hydrazone(9CI)
3-(Tetramethyl-1,3,2-dioxaborolan-2-yl)-cyclohex-2-enone
4-(TERT-BUTYL)-2-(1-HYDROXY-2-METHYLPROPAN-2-YL)PHENOL
(4-AMINO-3-METHYL-PHENYL)-CARBAMIC ACID TERT-BUTYL ESTER
Benzenamine,N-[3-(phenylamino)-2-propen-1-ylidene]-
Benzeneacetic acid,4-methoxy-a,a-dimethyl-, ethyl ester
1-Ethyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole
(4-AMINO-2-METHYL-PHENYL)-CARBAMIC ACID TERT-BUTYL ESTER
FMOC-(R)-5,5-DIMETHYLTHIAZOLIDINE-4-CARBOXYLIC ACID
2-(2,5-Dimethylfuran-3-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
2-[(2-ethynylimidazol-1-yl)methoxy]ethyl-trimethylsilane
(3S)-3-Amino-N-cyclopropyl-2-hydroxyhexanamide hydrochloride
2-amino-N-(4-methoxyphenyl)-N-propan-2-ylacetamide
tetrahydro-3,3,5,5-tetrakis(hydroxymethyl)pyran-4-ol
1-(2-METHYL-THIAZOL-4-YLMETHYL)-PIPERAZINE DIHYDROCHLORIDE
(R)-tert-Butyl 3-aminopyrrolidine-1-carboxylate hydrochloride
5-Norbornene-2-carboxylic tetrahydrofurfuryl ester
1-(2-methylpropyl)-3,4-dihydro-1H-isochromene-6,7-diol
buta-1,3-diene,N-(hydroxymethyl)-2-methylprop-2-enamide,prop-2-enenitrile
1,3-DiMethyl-1H-pyrazole-4-boronic acid pinacol ester
(5-AMINO-2-METHYL-PHENYL)-CARBAMIC ACID TERT-BUTYL ESTER
tert-Butyl 3-aminopyrrolidine-1-carboxylate hydrochloride
Benzenepropanoic acid,a-hydroxy-, 1,1-dimethylethyl ester,(S)-
1H-Indazole-3-carboxylicacid,4,5,6,7-tetrahydro-4-methyl-7-(1-methylethyl)-(9CI)
PIPERIDINE-4-CARBOXYLIC ACID (4-FLUORO-PHENYL)-AMIDE
2,7-dicyano-2,7-dimethyl-3,6-diazaocta-3,5-dien-3,6-dioxide
1,5-DIMETHYL-4-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)-1H-PYRAZOLE
(3-((Tetrahydro-2H-pyran-2-yl)oxy)phenyl)boronic acid
2-Methyl-2-propanyl [2-(4-pyridinyl)ethyl]carbamate
1,3-Dioxolane,2,2-dimethyl-4-[(phenylmethoxy)methyl]-
2-(4-fluorophenyl)-4,4,6-trimethyl-1,3,2-dioxaborinate
(4S,6S)-4H-THIENO[2,3-B]-THIOPYRAN-4-OL-5,6-DIHYDRO-6-METHYL-7,7-DIOXIDE
Hydrazinecarboxylic acid, 2-(phenylmethyl)-, 1,1-dimethylethyl ester
1,3-Dimethyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole
Silane, trimethyl(3,4,6,7-tetrahydro-3,3-dimethylcyclopenta[c]pyran-1-yl)- (9CI)
N-methyl-1-[6-(oxan-4-yloxy)pyridin-3-yl]methanamine
4-(1-METHYLETHENYL)-2-PROPYL-1H-IMIDAZOLE-5-CARBOXYLIC ACID ETHYL ESTER
ethyl 4-(methylamino)piperidine-1-carboxylate,hydrochloride
Thiourea, N-ethyl-N-(2,4,6-trimethylphenyl)- (9CI)
[2-[[(1R,2R)-1-hydroxy-1-phenylpropan-2-yl]-methylamino]-2-oxoethyl]azanium
[2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]boronic acid
5-tert-Butyl-4,5,6,7-tetrahydro-1H-indazole-3-carboxylic acid
5-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl)pyrimidin-2-ol
(4aR,6aS,9aS,9bS)-6a-methyloctahydrocyclopenta[f]chromene-3,7(2H,8H)-dione
N-(3-Ethyl-2-pyridinyl)carbamic acid tert-butyl ester
1,4-Dimethyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole
2-(4-FLUOROPHENYL)-4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLANE
3,5-dimethylpyrazole-4-boronic acid, pinacol ester
(3-FORMYL-2-ISOPROPOXY-5-METHYLPHENYL)BORONIC ACID
1-[2-(1-Azepanyl)ethyl]-1H-1,2,3-triazole-4-carbaldehyde
Ethanone, 1-[5-methyl-2-[(trimethylsilyl)oxy]phenyl]-
3-Isobutyl-1-methylxanthine
D004791 - Enzyme Inhibitors > D010726 - Phosphodiesterase Inhibitors
morinamide
J - Antiinfectives for systemic use > J04 - Antimycobacterials > J04A - Drugs for treatment of tuberculosis C254 - Anti-Infective Agent > C52588 - Antibacterial Agent > C280 - Antitubercular Agent
nicametate
C78274 - Agent Affecting Cardiovascular System > C29707 - Vasodilating Agent D002317 - Cardiovascular Agents > D014665 - Vasodilator Agents
1D-3-ammmonio-1-guanidiniumyl-1,3-dideoxy-scyllo-inositol(2+)
Nonylsulfamate
An organic sulfamate oxoanion that is the conjugate base of nonylsulfamic acid. It has been isolated from Daphnia pulex and has been shown to cause morphological changes in the green alga Scenedesmus gutwinskii.
(7-Methyloctyl)sulfamate
An organic sulfamate oxoanion that is the conjugate base of (7-methyloctyl)sulfamic acid. It has been isolated from Daphnia pulex and has been shown to cause morphological changes in the green alga Scenedesmus gutwinskii.
3-(1-Methylpiperidin-1-ium-1-yl)propane-1-sulfonic acid
5-Methoxy-2-methyl-3-(3-methylbut-2-enyl)benzene-1,4-diol
1-Hydroxy-1-(4-methoxyphenyl)-4-methyl-3-pentanone
5-Trimethylsilylmethyl-2,3,3a,4,7,7a-hexahydro-1H-inden-1-one
6-(Trimethylsilylmethyl)-2,3,3a,4,7,7a-hexahydro-1H-inden-1-one
Methyl 3-ethyl-4-oxotricyclo(4.3.0.0(1,5))nonane-5-carboxylate
Methyl 2-methyl-4-oxo-tricyclo(5,3,0,0(5,10))decane-1-carboxylate
Dehydrovomifoliol
(6S)-dehydrovomifoliol is a dehydrovomifoliol that has S-configuration at the chiral centre. It has a role as a plant metabolite. It is an enantiomer of a (6R)-dehydrovomifoliol. Dehydrovomifoliol is a natural product found in Psychotria correae, Dendrobium loddigesii, and other organisms with data available.
4-hydroxy-3,5,5-trimethyl-4-[(1E)-3-oxobut-1-en-1-yl]cyclohex-2-en-1-one
hexyl salicylate
D000893 - Anti-Inflammatory Agents > D000894 - Anti-Inflammatory Agents, Non-Steroidal > D012459 - Salicylates
2-Hydroxyibuprofen
A hydroxy monocarboxylic acid that is ibuprofen in which the methine proton on the isobutyl group has been replaced by a hydroxy group.
2-(hydroxymethyl)-6-(propan-2-yloxy)oxane-3,4,5-triol
(6S)-dehydrovomifoliol
A dehydrovomifoliol that has S-configuration at the chiral centre.
1-O-isopropyl-beta-D-glucopyranoside
A natural product found in Citrus hystrix.
4-[(2e,4e)-hexa-2,4-dien-1-yl]-3-[(2s)-2-hydroxypropyl]-5h-furan-2-one
6-[5-(hydroxymethyl)-1-methylpiperidin-3-yl]pyridin-2-ol
(1s,2r,3z,5r)-3-(but-2-yn-1-ylidene)-6-oxaspiro[4.5]decane-1,2-diol
(2r,3s,4s,5r,6r)-3,4-dimethoxy-6-(methoxymethyl)oxane-2,5-diol
5-hydroxy-4,6,6-trimethyl-5-(3-oxobut-1-en-1-yl)cyclohex-3-en-1-one
7,11-dehydromatrine
{"Ingredient_id": "HBIN012860","Ingredient_name": "7,11-dehydromatrine","Alias": "NA","Ingredient_formula": "C12H18N2O2","Ingredient_Smile": "C1CC2CN3C(=C4C2N(C1)CCC4)CCCC3=O","Ingredient_weight": "222.28","OB_score": "44.42628517","CAS_id": "85799-36-6","SymMap_id": "SMIT00644","TCMID_id": "4947","TCMSP_id": "MOL006583","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}