Exact Mass: 222.1328
Exact Mass Matches: 222.1328
Found 273 metabolites which its exact mass value is equals to given mass value 222.1328,
within given mass tolerance error 0.01 dalton. Try search metabolite list with more accurate mass tolerance error
0.001 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.
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)
(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-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
Nicametate
C78274 - Agent Affecting Cardiovascular System > C29707 - Vasodilating Agent D002317 - Cardiovascular Agents > D014665 - Vasodilator Agents
Methyl 3-epi-4,5-didehydrojasmonate
Constituent of Jasminum species Methyl 3-epi-4,5-didehydrojasmonate is found in tea and herbs and spices.
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
alpha-Methyl-7-(2-hydroxyethyl)-3,4-dihydro-2H-1-benzopyran-2-methanol
2-Hydroxy-5-(1-hydroxyethyl)-beta-methylbutyrophenone
(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
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
tert-Butyl 3,4-dihydropyrrolo[1,2-a]pyrazine-2(1H)-carboxylate
(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
3-(Tetramethyl-1,3,2-dioxaborolan-2-yl)-cyclohex-2-enone
(4-AMINO-3-METHYL-PHENYL)-CARBAMIC ACID TERT-BUTYL ESTER
Benzeneacetic acid,4-methoxy-a,a-dimethyl-, ethyl ester
(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-amino-N-(4-methoxyphenyl)-N-propan-2-ylacetamide
1-(2-METHYL-THIAZOL-4-YLMETHYL)-PIPERAZINE DIHYDROCHLORIDE
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
(5-AMINO-2-METHYL-PHENYL)-CARBAMIC ACID TERT-BUTYL ESTER
Benzenepropanoic acid,a-hydroxy-, 1,1-dimethylethyl ester,(S)-
1H-Indazole-3-carboxylicacid,4,5,6,7-tetrahydro-4-methyl-7-(1-methylethyl)-(9CI)
2-Methyl-2-propanyl [2-(4-pyridinyl)ethyl]carbamate
1,3-Dioxolane,2,2-dimethyl-4-[(phenylmethoxy)methyl]-
(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
N-methyl-1-[6-(oxan-4-yloxy)pyridin-3-yl]methanamine
4-(1-METHYLETHENYL)-2-PROPYL-1H-IMIDAZOLE-5-CARBOXYLIC ACID ETHYL ESTER
[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
(4aR,6aS,9aS,9bS)-6a-methyloctahydrocyclopenta[f]chromene-3,7(2H,8H)-dione
N-(3-Ethyl-2-pyridinyl)carbamic acid tert-butyl ester
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+)
5-Methoxy-2-methyl-3-(3-methylbut-2-enyl)benzene-1,4-diol
1-Hydroxy-1-(4-methoxyphenyl)-4-methyl-3-pentanone
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.
(6S)-dehydrovomifoliol
A dehydrovomifoliol that has S-configuration at the chiral centre.
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
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"}
