Exact Mass: 220.0455022
Exact Mass Matches: 220.0455022
Found 277 metabolites which its exact mass value is equals to given mass value 220.0455022,
within given mass tolerance error 0.01 dalton. Try search metabolite list with more accurate mass tolerance error
0.001 dalton.
purpurogallin
Purpurogallin is a cyclic ketone that is 5H-benzocycloheptene bearing an oxo group at position 5 and hydroxy groups at positions 2, 3, 4 and 6. It has a role as an antibacterial agent, an antioxidant, an EC 1.17.3.2 (xanthine oxidase) inhibitor and a protective agent. It is a tetrol, a cyclic ketone and a member of phenols. It derives from a hydride of a 5H-benzocycloheptene. Purpurogalline is a natural product found in Quercus with data available. Purpurogallin is a naturally phenol extracted from the plants of Quercus spp, has potent xanthine oxidase (XO) inhibitory activity with an IC50 of 0.2 μM. Purpurogallin has antioxidant and anti-inflammatory effects[1][2][3].
Thidiazuron
CONFIDENCE standard compound; INTERNAL_ID 458; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8119; ORIGINAL_PRECURSOR_SCAN_NO 8115 CONFIDENCE standard compound; INTERNAL_ID 458; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4000; ORIGINAL_PRECURSOR_SCAN_NO 3997 CONFIDENCE standard compound; INTERNAL_ID 458; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3995; ORIGINAL_PRECURSOR_SCAN_NO 3992 CONFIDENCE standard compound; INTERNAL_ID 458; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8157; ORIGINAL_PRECURSOR_SCAN_NO 8154 CONFIDENCE standard compound; INTERNAL_ID 458; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8104; ORIGINAL_PRECURSOR_SCAN_NO 8102 CONFIDENCE standard compound; INTERNAL_ID 458; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8063; ORIGINAL_PRECURSOR_SCAN_NO 8061 CONFIDENCE standard compound; INTERNAL_ID 458; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8158; ORIGINAL_PRECURSOR_SCAN_NO 8156 CONFIDENCE standard compound; INTERNAL_ID 458; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3985; ORIGINAL_PRECURSOR_SCAN_NO 3983 CONFIDENCE standard compound; INTERNAL_ID 458; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4001; ORIGINAL_PRECURSOR_SCAN_NO 3997 CONFIDENCE standard compound; INTERNAL_ID 458; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8147; ORIGINAL_PRECURSOR_SCAN_NO 8144 CONFIDENCE standard compound; INTERNAL_ID 458; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3963; ORIGINAL_PRECURSOR_SCAN_NO 3962 CONFIDENCE standard compound; INTERNAL_ID 458; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3980; ORIGINAL_PRECURSOR_SCAN_NO 3979
3-[6-(Carboxymethylene)cyclohexa-2,4-dien-1-ylidene]-2-oxopropanate
N-Acetyl-S-(N-methylcarbamoyl)cysteine
C7H12N2O4S (220.05177519999998)
N-acetyl-s-(n-methylcarbamoyl)cysteine belongs to the family of N-acyl-alpha Amino Acids and Derivatives. These are compounds containing an alpha amino acid which bears an acyl group at his terminal nitrogen atom.
Dracunculin
Dracunculin is found in mugwort. Dracunculin is a constituent of Artemisia dracunculoides (Russian tarragon) Constituent of Artemisia dracunculoides (Russian tarragon). Dracunculin is found in mugwort and pulses.
1-Propenyl 1-(1-propenylthio)propyl disulfide
1-Propenyl 1-(1-propenylthio)propyl disulfide is found in onion-family vegetables. 1-Propenyl 1-(1-propenylthio)propyl disulfide is isolated from the Welsh onion (Allium fistulosum). Isolated from the Welsh onion (Allium fistulosum). 1-Propenyl 1-(1-propenylthio)propyl disulfide is found in onion-family vegetables.
8-Methoxy-6,7-methylenedioxycoumarin
8-Methoxy-6,7-methylenedioxycoumarin is isolated from Artemisia vulgaris (mugwort). Isolated from Artemisia vulgaris (mugwort)
Buntansin A
Buntansin A is found in citrus. Buntansin A is a constituent of Citrus grandis (pummelo) Constituent of Citrus grandis (pummelo). Buntansin A is found in citrus.
7-Hydroxy-2-methyl-4-oxo-4H-1-benzopyran-5-carboxylic acid
7-Hydroxy-2-methyl-4-oxo-4H-1-benzopyran-5-carboxylic acid is found in green vegetables. 7-Hydroxy-2-methyl-4-oxo-4H-1-benzopyran-5-carboxylic acid is a constituent of Rheum sp Constituent of Rheum species 7-Hydroxy-2-methyl-4-oxo-4H-1-benzopyran-5-carboxylic acid is found in green vegetables.
(2R)-2-Amino-3-methyl-3-(2-nitrosoacetyl)sulfanylbutanoic acid
C7H12N2O4S (220.05177519999998)
s-Nitroso-n-acetyl-d-penicillamine
C7H12N2O4S (220.05177519999998)
2-(3'-methylthio)propylmalate
2-(3-methylthio)propylmalate, also known as 2-hydroxy-2-[3-(methylsulfanyl)propyl]succinate or 2-(3-methylsulfanyl)propylmalic acid, belongs to medium-chain hydroxy acids and derivatives class of compounds. Those are hydroxy acids with a 6 to 12 carbon atoms long side chain. 2-(3-methylthio)propylmalate is slightly soluble (in water) and a weakly acidic compound (based on its pKa). 2-(3-methylthio)propylmalate can be found in a number of food items such as broad bean, gram bean, sesbania flower, and cherimoya, which makes 2-(3-methylthio)propylmalate a potential biomarker for the consumption of these food products.
3-(3'-methylthio)propylmalate
3-(3-methylthio)propylmalate, also known as 3-(3-methylsulfanyl)propylmalic acid, belongs to medium-chain hydroxy acids and derivatives class of compounds. Those are hydroxy acids with a 6 to 12 carbon atoms long side chain. 3-(3-methylthio)propylmalate is soluble (in water) and a weakly acidic compound (based on its pKa). 3-(3-methylthio)propylmalate can be found in a number of food items such as elderberry, fig, bitter gourd, and potato, which makes 3-(3-methylthio)propylmalate a potential biomarker for the consumption of these food products.
8-Chlro-1-tetrahydronorharmanone
C11H9ClN2O (220.04033739999997)
relative retention time with respect to 9-anthracene Carboxylic Acid is 0.962 relative retention time with respect to 9-anthracene Carboxylic Acid is 0.960 relative retention time with respect to 9-anthracene Carboxylic Acid is 0.957
2,5,8-dihydroxy-3-methyl-1,4-naphthoquinone|2,5,8-trihydroxy-3-methyl-1,4-naphthoquinone|2,5,8-trihydroxy-3-methyl-[1,4]naphthoquinone|2-methyl-3,5,8-trihydroxy-1,4-naphthoquinone|3,5,8-trihydroxy-2-methyl-1,4-naphthoquinone|8-hydroxydroserone|hydroxydroserone
(2Z,6E)-3-Chloromethyl-1-chloro-7-methylocta-2,6-dien-8-al|8-Chloro-6-chloromethyl-2-methyl-2, 6-octadienal, 9CI
Pisonin E
A member of the class of chromones that is chromone substituted by a hydroxy group at position 5, a methyl group at position 2 and a methylenedioxy group across positions 6 and 7. It has been isolated from Pisonia aculeata.
8,8a-Dihydro-3-methoxy-5-methyl-1H,6H-furo[3,4-e][1,3,2]dioxaphosphepin 3-oxide
(8R,9S)-8-chloro-9-hydroxy-8,9-deoxyaspyrone|chlorohydroaspyrone A
Purpurogallin
Purpurogallin is a cyclic ketone that is 5H-benzocycloheptene bearing an oxo group at position 5 and hydroxy groups at positions 2, 3, 4 and 6. It has a role as an antibacterial agent, an antioxidant, an EC 1.17.3.2 (xanthine oxidase) inhibitor and a protective agent. It is a tetrol, a cyclic ketone and a member of phenols. It derives from a hydride of a 5H-benzocycloheptene. Purpurogalline is a natural product found in Quercus with data available. Purpurogallin is a naturally phenol extracted from the plants of Quercus spp, has potent xanthine oxidase (XO) inhibitory activity with an IC50 of 0.2 μM. Purpurogallin has antioxidant and anti-inflammatory effects[1][2][3].
3-CarboxyMethyl-quinazoline-2,4-dione
7-hydroxy-2-methyl-4-oxo-4H-chromene-5-carboxylic acid
1-Propenyl 1-(1-propenylthio)propyl disulfide
5-Fluoro-6-hydroxy-naphthalene-1-carboxylic acid methyl ester
2-(2-BENZOFURANYL)-1H-IMIDAZOLE HCL
C11H9ClN2O (220.04033739999997)
2-(trifluoromethoxy)benzoic acid hydrazide
C8H7F3N2O2 (220.04595980000002)
1-Methyl-1-phenylhydrazinium hydrogen sulfate
C7H12N2O4S (220.05177519999998)
Hydrazinecarbothioamide,2-(1,2-dihydro-2-oxo-3H-indol-3-ylidene)-
Ethyl 4-oxotetrahydro-2H-thiopyran-3-carboxylate 1,1-dioxide
2-Naphthalenecarboxylic acid, 4,6,7-trihydroxy- (9CI)
(3-azaniumyl-4-methylphenyl)azanium,sulfate
C7H12N2O4S (220.05177519999998)
1-[1-(2-chlorophenyl)pyrazol-4-yl]ethanone
C11H9ClN2O (220.04033739999997)
4-METHYLBENZENE-1,2-DIAMINE SULFATE
C7H12N2O4S (220.05177519999998)
Ethyl 2-(trifluoromethyl)pyrimidine-5-carboxylate
C8H7F3N2O2 (220.04595980000002)
4-(2-CHLORO-3-PYRIDINYL)-N-METHYL-2-PYRIMIDINAMINE
C10H9ClN4 (220.05157039999997)
3-Chloro-6-(2-methoxyphenyl)pyridazine
C11H9ClN2O (220.04033739999997)
6-Chloro-4-cyclopropyl-2(1H)-quinazolinone
C11H9ClN2O (220.04033739999997)
5-CHLORO-1-METHYL-3-PHENYL-1H-PYRAZOLE-4-CARBALDEHYDE
C11H9ClN2O (220.04033739999997)
5-(4-fluorophenyl)-2-methylfuran-3-carboxylic acid
6-(2-AMINO-PHENYL)-3-THIOXO-3,4-DIHYDRO-2H-[1,2,4]TRIAZIN-5-ONE
3aH-[1,2,4]triazolo[3,4-b][1,3]benzothiazole-3-carboxamide
(4-methylphenyl)hydrazine,sulfuric acid
C7H12N2O4S (220.05177519999998)
n-methyl-2-nitro-4-(trifluoromethyl)aniline
C8H7F3N2O2 (220.04595980000002)
ETHYL 2-AMINO-3,5,6-TRIFLUOROISONICOTINATE
C8H7F3N2O2 (220.04595980000002)
2,3,4,5-TETRAHYDRO-1H-BENZO[E][1,4]DIAZEPINE DIHYDROCHLORIDE
Methyl 3-amino-5-(trifluoromethyl)pyridine-2-carboxylate
C8H7F3N2O2 (220.04595980000002)
1-(2-chloro-4-pyrazol-1-ylphenyl)ethanone
C11H9ClN2O (220.04033739999997)
Ethyl 4-oxo-4H-pyrido[3,4-d][1,3]oxazine-2-carboxylate
Ethyl 3-(trifluoromethyl)pyrazine-2-carboxylate
C8H7F3N2O2 (220.04595980000002)
1-METHYL-5-PHENYL-1H-PYRAZOLE-3-CARBONYL CHLORIDE
C11H9ClN2O (220.04033739999997)
5-methyl-1-phenyl-1H-pyrazole-4-carbonyl chloride
C11H9ClN2O (220.04033739999997)
4-ethyl-2-(trifluoromethyl)pyrimidine-5-carboxylic acid
C8H7F3N2O2 (220.04595980000002)
3-(CHLOROMETHYL)-5-STYRYL-1,2,4-OXADIAZOLE
C11H9ClN2O (220.04033739999997)
2-Chloro-4-(3-methoxyphenyl)pyrimidine
C11H9ClN2O (220.04033739999997)
4,6-dimethyl-2-(trifluoromethyl)pyrimidine-5-carboxylic acid
C8H7F3N2O2 (220.04595980000002)
6-Methoxy-3-oxo-3,4-dihydroquinoxaline-2-carboxylic acid
5-chloro-3-methyl-1-phenyl-1h-pyrazole-4-carbaldehyde
C11H9ClN2O (220.04033739999997)
6-(4-Chlorophenyl)pyrimidine-2,4-diamine
C10H9ClN4 (220.05157039999997)
2-Chloro-4-(4-methoxyphenyl)pyrimidine
C11H9ClN2O (220.04033739999997)
(4-Chlorophenyl)(1-methyl-1H-imidazol-2-yl)methanone
C11H9ClN2O (220.04033739999997)
3-CHLORO-6-(4-METHOXYPHENYL)-PYRIDAZINE
C11H9ClN2O (220.04033739999997)
(6-Chloro-2-phenylpyrimidin-4-yl)methanol
C11H9ClN2O (220.04033739999997)
2-Methoxy-4-(trifluoromethyl)pyridine-3-carboxamide
C8H7F3N2O2 (220.04595980000002)
6-(4-Chlorophenyl)-5-methyl-4-pyrimidinol
C11H9ClN2O (220.04033739999997)
6-(4-Chlorophenyl)-2-methyl-4-pyrimidinol
C11H9ClN2O (220.04033739999997)
Ethyl 4-(Trifluoromethyl)-5-Pyrimidinecarboxylate
C8H7F3N2O2 (220.04595980000002)
ethyl 4-oxopyrido[2,3-d][1,3]oxazine-2-carboxylate
2-methyl-5-phenylpyrazole-3-carbonyl chloride
C11H9ClN2O (220.04033739999997)
5-Chloro-3-(4,5-dihydro-1H-imidazol-2-yl)-1H-pyrrolo[2,3-b]pyridi ne
C10H9ClN4 (220.05157039999997)
1H-Pyrrolo[2,3-b]pyridine-2,5-dicarboxylic acid, 5-Methyl ester
7-HYDROXY-2-OXO-2H-CHROMENE-3-CARBOXYLIC ACID METHYL ESTER
6-Methoxy-4-(trifluoromethyl)nicotinamide
C8H7F3N2O2 (220.04595980000002)
1-[1-(3-chlorophenyl)pyrazol-4-yl]ethanone
C11H9ClN2O (220.04033739999997)
1-[1-(4-chlorophenyl)pyrazol-4-yl]ethanone
C11H9ClN2O (220.04033739999997)
5-METHYL-2-PHENYL-2H-PYRAZOLE-3-CARBONYL CHLORIDE
C11H9ClN2O (220.04033739999997)
3-(Carboxymethyl)-1H-pyrrolo[2,3-b]pyridine-2-carboxylic acid
2-(Methoxycarbonyl)-1H-pyrrolo[2,3-b]pyridine-3-carboxylic acid
1-Methyl-1H-pyrrolo[2,3-b]pyridine-3,5-dicarboxylic acid
Ethyl6-(trifluoromethyl)pyridazine-3-carboxylate
C8H7F3N2O2 (220.04595980000002)
5-Pyrimidinecarboxylicacid,2-ethyl-4-(trifluoromethyl)-(9CI)
C8H7F3N2O2 (220.04595980000002)
1-[3-fluoro-4-(trifluoromethyl)phenyl]propan-1-one
1-METHYL-4-PHENYL-1H-IMIDAZOLE-5-CARBONYL CHLORIDE
C11H9ClN2O (220.04033739999997)
5-Amino-2-(4-chlorophenoxy)pyridine
C11H9ClN2O (220.04033739999997)
4-(METHYLTHIO)-6-PYRAZIN-2-YL-1,3,5-TRIAZIN-2-AMINE
5-(3-FLUOROPHENYL)FURAN-2-CARBOXYLIC ACID METHYL ESTER
5-(4-methoxyphenyl)-1,2,4-oxadiazole-3-carboxylic acid
3-methyl-1-vinyl-1H-imidazolium methyl sulphate
C7H12N2O4S (220.05177519999998)
3-Methyl-5,6,7,8-tetrahydro-[1,6]naphthyridine dihydrochloride
(R)-5,6,7,8-Tetrahydro-quinolin-8-ylamine dihydrochloride
4-(trifluoromethoxy)benzoic acid hydrazide
C8H7F3N2O2 (220.04595980000002)
1,2,3,4-tetrahydroisoquinolin-4-amine,dihydrochloride
1-(4-CHLOROPHENYL)-2-(1H-IMIDAZOL-1-YL)-1-ETHANONE
C11H9ClN2O (220.04033739999997)
1-Methyl-1,2,3,4-tetrahydroquinoxaline dihydrochloride
7-CHLORO-2,3-DIHYDROPYRROLO[2,1-B]QUINAZOLIN-9(1H)-ONE
C11H9ClN2O (220.04033739999997)
2-Chloro-5-(4-methoxyphenyl)pyrimidine
C11H9ClN2O (220.04033739999997)
6-(Chloromethyl)-2-phenylpyrimidin-4-ol
C11H9ClN2O (220.04033739999997)
6-chloro-4-N-phenylpyrimidine-4,5-diamine
C10H9ClN4 (220.05157039999997)
2-AMINODIPYRIDO[1,2-A:3,2-D]IMIDAZOLE, HYDROCHLORIDE
C10H9ClN4 (220.05157039999997)
1-[4-fluoro-3-(trifluoromethyl)phenyl]propan-1-one
4-METHYL-2-OXO-6-(TRIFLUOROMETHYL)-1,2-DIHYDROPYRIDINE-3-CARBOXAMIDE
C8H7F3N2O2 (220.04595980000002)
N-Acetyl-3-(nitrososulfanyl)valine
C7H12N2O4S (220.05177519999998)
D006401 - Hematologic Agents > D010975 - Platelet Aggregation Inhibitors > D026403 - S-Nitrosothiols D002317 - Cardiovascular Agents > D020030 - Nitric Oxide Donors D002317 - Cardiovascular Agents > D014665 - Vasodilator Agents D004791 - Enzyme Inhibitors
S-Nitroso-N-acetylpenicillamine
C7H12N2O4S (220.05177519999998)
D006401 - Hematologic Agents > D010975 - Platelet Aggregation Inhibitors > D026403 - S-Nitrosothiols D002317 - Cardiovascular Agents > D020030 - Nitric Oxide Donors D002317 - Cardiovascular Agents > D014665 - Vasodilator Agents D004791 - Enzyme Inhibitors
2,6,7-Trihydroxy-3-methylnaphthalene-1,4-dione
A naphthoquinone that is naphthalene-1,4-dione substituted by hydroxy groups at positions 2, 6 and 7 and a methyl group at position 3. It has been isolated from Penicillium purpurogenum.
aldioxa
C78284 - Agent Affecting Integumentary System > C29700 - Astringent D005765 - Gastrointestinal Agents > D000863 - Antacids D003879 - Dermatologic Agents > D001252 - Astringents
8-Chloro-2,3,4,9-tetrahydro-1h-beta-carbolin-1-one
C11H9ClN2O (220.04033739999997)
2-hydroxy-3-[3-(methylsulfanyl)propyl]butanedioate
C8H12O5S-2 (220.04054219999998)
L-histidinol phosphate(1-)
C6H11N3O4P- (220.04871559999998)
Conjugate base of L-histidinol phosphate having an anionic phosphate and a catoinic amino group; major species at pH 7.3.
2,5-dioxo-2,3,4,5-tetrahydro-1H-1,4-benzodiazepine-3-carboxylic acid
7-Hydroxy-2-methyl-4-oxo-4H-1-benzopyran-5-carboxylic acid
N-Acetyl-S-(N-methylcarbamoyl)-cysteine
C7H12N2O4S (220.05177519999998)
9-chloro-2,10-dioxatricyclo[5.3.1.0⁴,¹¹]undecane-4,5-diol
(5s,6r)-3-[(1s,2s)-2-chloro-1-hydroxypropyl]-5-hydroxy-6-methyl-5,6-dihydropyran-2-one
3-(1-chloro-2-hydroxypropyl)-5-(1-hydroxyethyl)-5h-furan-2-one
3-(2-chloro-1-hydroxypropyl)-5-(1-hydroxyethyl)-5h-furan-2-one
5-carboxy-7-hydroxy-2-methyl-benzopyran-γ-one
{"Ingredient_id": "HBIN011488","Ingredient_name": "5-carboxy-7-hydroxy-2-methyl-benzopyran-\u03b3-one","Alias": "NA","Ingredient_formula": "C11H8O5","Ingredient_Smile": "CC1=CC(=O)C2=C(O1)C=C(C=C2C(=O)O)O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "SMIT14578","TCMID_id": "3173","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}