Exact Mass: 222.1442
Exact Mass Matches: 222.1442
Found 500 metabolites which its exact mass value is equals to given mass value 222.1442,
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.
zectran
C471 - Enzyme Inhibitor > C47792 - Acetylcholinesterase Inhibitor
Kobusone
Kobusone is found in root vegetables. Kobusone is a constituent of Cyperus rotundus (nutgrass). Also in lavender oil. Constituent of Cyperus rotundus (nutgrass)and is) also in lavender oil. Kobusone is found in root vegetables.
Rishitin
Constituent of the tubers of white potatoes (Solanum subspecies) infected by Phytophthora infestans. Rishitin is found in many foods, some of which are pepper (c. annuum), yellow bell pepper, red bell pepper, and garden tomato (variety). Rishitin is found in alcoholic beverages. Rishitin is a constituent of the tubers of white potatoes (Solanum species) infected by Phytophthora infestans
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)
Isokobusone
Isokobusone is found in root vegetables. Isokobusone is a constituent of Cyperus rotundus (nutgrass). Constituent of Cyperus rotundus (nutgrass). Isokobusone is found in root vegetables.
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)
(10betaH,11xi)-11-Hydroxy-13-nor-6-eremophilen-8-one
(10betaH,11xi)-11-Hydroxy-13-nor-6-eremophilen-8-one is found in green vegetables. (10betaH,11xi)-11-Hydroxy-13-nor-6-eremophilen-8-one is a constituent of Petasites japonicus ssp. giganteus (Japanese butterbur). Constituent of Petasites japonicus sspecies giganteus (Japanese butterbur). (10betaH,11xi)-11-Hydroxy-13-nor-6-eremophilen-8-one is found in green vegetables.
(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)
2,6-Di-tert-butyl-1,4-benzenediol
2,6-Di-tert-butyl-1,4-benzenediol is found in tea. 2,6-Di-tert-butyl-1,4-benzenediol is isolated from ginseng roots. Isolated from ginseng roots. 2,6-Di-tert-butyl-1,4-benzenediol is found in tea.
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.
Acetaldehyde butyl phenethyl acetal
Acetaldehyde butyl phenethyl acetal is a flavour ingredient with a green pepper taste; useful in vegetable as fruit flavours. Flavour ingredient with a green pepper taste; useful in vegetable as fruit flavours
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
2,5-Di-tert-butylhydroquinone
D020011 - Protective Agents > D000975 - Antioxidants D004791 - Enzyme Inhibitors 2,5-Di-tert-butylhydroquinone (DTBHQ), the indirect food additive, regulates the activity of 5-lipoxygenase as well as the activity of COX-2 (IC50=1.8 and 14.1 μM for 5-LO and COX-2, respectively) [1].
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
Risbitin
Risbitin, also known as rishitin, (1s-(1alpha,2beta,3alpha,7beta))-isomer, is a member of the class of compounds known as 1,2-diols. 1,2-diols are polyols containing an alcohol group at two adjacent positions. Risbitin is slightly soluble (in water) and a very weakly acidic compound (based on its pKa). Risbitin can be found in potato, which makes risbitin a potential biomarker for the consumption of this food product.
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
2,5-Di-tert-butylhydroquinone
D020011 - Protective Agents > D000975 - Antioxidants D004791 - Enzyme Inhibitors 2,5-Di-tert-butylhydroquinone (DTBHQ), the indirect food additive, regulates the activity of 5-lipoxygenase as well as the activity of COX-2 (IC50=1.8 and 14.1 μM for 5-LO and COX-2, respectively) [1].
Tetraglyme
CONFIDENCE standard compound; INTERNAL_ID 2480 CONFIDENCE standard compound; INTERNAL_ID 8837 CONFIDENCE standard compound; EAWAG_UCHEM_ID 3164
5-methyl-2-(2,2,4-trimethyl-1,3-dioxolan-4-yl)phenol|acetone thymol 8,9-diyl ketal
(1aS-(1aalpha,4aalpha,7beta,7abeta,7balpha))-7-Hydroxy-1,1,7-trimethylperhydrocycloprop[e]azulen-4-on|<1aS-(1aalpha,4aalpha,7beta,7abeta,7balpha)>-7-Hydroxy-1,1,7-trimethylperhydrocyclopropazulen-4-on
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
(1beta-H,7beta-H)-8,11,11-trimethylbicyclo[5.3.1]undecane-5alpha,8alpha-epoxy-3-one|norcyperone
alpha-Methyl-7-(2-hydroxyethyl)-3,4-dihydro-2H-1-benzopyran-2-methanol
2-Hydroxy-5-(1-hydroxyethyl)-beta-methylbutyrophenone
11(7->6)abeo-14-norcarabran-4,7-dione|pubescone|rel-(1R,2R,6S,7S)-7-(3-oxobutyl)-2-(1-methylethyl)bicyclo[4.1.0]heptane-3-one
(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
(1S,2S,4S,7R)-1,4,8,8-tetramethyl-10-oxatricyclo[6.2.1.02,5]undecan-9-one|(1S,2S,5R,8S)-1,4,4,8-tetramethyl-10-oxatricyclo[6.2.1.02,5]undecan-9-one|hushinone
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
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
Poly(3-decylthiophene-2,5-diyl), regioregular Electronic Grade
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
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
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
1,3-DiMethyl-1H-pyrazole-4-boronic acid pinacol ester
(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)
1,5-DIMETHYL-4-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)-1H-PYRAZOLE
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
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
(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
1-[2-(1-Azepanyl)ethyl]-1H-1,2,3-triazole-4-carbaldehyde
nicametate
C78274 - Agent Affecting Cardiovascular System > C29707 - Vasodilating Agent D002317 - Cardiovascular Agents > D014665 - Vasodilator Agents
5-hydroxy-2,2,4a-trimethyl-2a,3,4,5,6,7-hexahydro-1H-cyclobuta[i]inden-8-one
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
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
2-(3-(3-Hydroxybutyl)-2,2-dimethylcyclopropyl)cyclopent-2-ene-1-one
(1alpha,5alpha)-3-Propanoyl-6,6,8beta-trimethylbicyclo[3.3.0]octan-2-one
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
(1S,5S,9R)-5-Hydroxy-10,10-dimethyl-6-methylidenebicyclo[7.2.0]undecan-2-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.
(1s,3r,5r,6r,9r)-6-hydroxy-6,10,10-trimethyltricyclo[7.2.0.0³,⁵]undecan-2-one
(1r,3s,4r,5r)-5-(hepta-1,3,5-trien-1-yl)-4-methylcyclohexane-1,3-diol
8-(2-hydroxypropan-2-yl)-5-methyl-4,4a,5,6,7,8-hexahydro-3h-naphthalen-2-one
(1r,7s,9ar)-6-(hydroxymethyl)-7,9a-dimethyl-1,2,3,7,8,9-hexahydrobenzo[7]annulen-1-ol
1-{1a,4-dimethyl-hexahydro-2h-indeno[1,7a-b]oxiren-7-yl}propan-2-one
(4ar,5r,8s)-4a-hydroxy-8-isopropyl-5-methyl-3,4,5,6,7,8-hexahydronaphthalen-2-one
4-[(2e,4e)-hexa-2,4-dien-1-yl]-3-[(2s)-2-hydroxypropyl]-5h-furan-2-one
4,12-dimethyl-9-methylidene-5-oxatricyclo[8.2.0.0⁴,⁶]dodecan-12-ol
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,4r,5r,8r)-4,8-dimethyl-2-[(1e)-prop-1-en-1-yl]-1-oxaspiro[4.5]dec-6-en-8-ol
(1r,4r,6r,10s)-4,12,12-trimethyl-5-oxatricyclo[8.2.0.0⁴,⁶]dodecan-9-one
6-(hept-6-en-2-yl)-3-(hydroxymethyl)cyclohex-2-en-1-one
(1r,3r,4r,6r,10s)-12,12-dimethyl-9-methylidene-5-oxatricyclo[8.2.0.0⁴,⁶]dodecan-3-ol
5-hydroxy-4,6,6-trimethyl-5-(3-oxobut-1-en-1-yl)cyclohex-3-en-1-one
(1r,4r,6r)-4,12,12-trimethyl-5-oxatricyclo[8.2.0.0⁴,⁶]dodecan-9-one
(3s,4s,4ar,7as,7br)-6,6,7b-trimethyl-1h,3h,4h,4ah,5h,7h,7ah-cyclobuta[e]indene-3,4-diol
4-hydroxy-14-nor-5-dumorten-7-one
{"Ingredient_id": "HBIN010425","Ingredient_name": "4-hydroxy-14-nor-5-dumorten-7-one","Alias": "NA","Ingredient_formula": "C14H22O2","Ingredient_Smile": "CC1CCC(C(=O)C=C2C1CCC2(C)O)C","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "10539","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
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"}
