Exact Mass: 204.0221
Exact Mass Matches: 204.0221
Found 500 metabolites which its exact mass value is equals to given mass value 204.0221,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
1,4-Dihydroxy-2-naphthoic acid
1,4-dihydroxy-2-naphthoate, also known as 1,4-dihydroxy-2-naphthalenecarboxylic acid, is a member of the class of compounds known as naphthalenecarboxylic acids. Naphthalenecarboxylic acids are compounds containing a naphthalene moiety, which bears a carboxylic acid group one or more positions. Naphthalene is a bicyclic compound that is made up of two fused benzene ring. 1,4-dihydroxy-2-naphthoate is practically insoluble (in water) and a moderately acidic compound (based on its pKa). 1,4-dihydroxy-2-naphthoate can be synthesized from 2-naphthoic acid. 1,4-dihydroxy-2-naphthoate can also be synthesized into 1,4-dihydroxy-2-naphthoyl-CoA. 1,4-dihydroxy-2-naphthoate can be found in a number of food items such as rowal, cinnamon, breadfruit, and horseradish, which makes 1,4-dihydroxy-2-naphthoate a potential biomarker for the consumption of these food products.
(3-Chlorophenyl)hydrazonomalononitrile
CONFIDENCE standard compound; INTERNAL_ID 675; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4918; ORIGINAL_PRECURSOR_SCAN_NO 4915 CONFIDENCE standard compound; INTERNAL_ID 675; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4931; ORIGINAL_PRECURSOR_SCAN_NO 4927 CONFIDENCE standard compound; INTERNAL_ID 675; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4927; ORIGINAL_PRECURSOR_SCAN_NO 4924 CONFIDENCE standard compound; INTERNAL_ID 675; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4922; ORIGINAL_PRECURSOR_SCAN_NO 4921 CONFIDENCE standard compound; INTERNAL_ID 675; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4919; ORIGINAL_PRECURSOR_SCAN_NO 4914 CONFIDENCE standard compound; INTERNAL_ID 675; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4898; ORIGINAL_PRECURSOR_SCAN_NO 4893 CCCP is an oxidative phosphorylation (OXPHOS) uncoupler. CCCP induces activation of PINK1 leading to Parkin Ser65 phosphorylation[1].
2-chloro-4-biphenylol
CONFIDENCE standard compound; INTERNAL_ID 1048; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 5119; ORIGINAL_PRECURSOR_SCAN_NO 5116 CONFIDENCE standard compound; INTERNAL_ID 1048; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 5104; ORIGINAL_PRECURSOR_SCAN_NO 5103 CONFIDENCE standard compound; INTERNAL_ID 1048; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 5184; ORIGINAL_PRECURSOR_SCAN_NO 5183 CONFIDENCE standard compound; INTERNAL_ID 1048; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 5105; ORIGINAL_PRECURSOR_SCAN_NO 5101 CONFIDENCE standard compound; INTERNAL_ID 1048; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 5089; ORIGINAL_PRECURSOR_SCAN_NO 5088 CONFIDENCE standard compound; INTERNAL_ID 1048; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 5081; ORIGINAL_PRECURSOR_SCAN_NO 5079
CCCP
D004791 - Enzyme Inhibitors > D014475 - Uncoupling Agents D007476 - Ionophores > D061209 - Proton Ionophores D049990 - Membrane Transport Modulators CCCP is an oxidative phosphorylation (OXPHOS) uncoupler. CCCP induces activation of PINK1 leading to Parkin Ser65 phosphorylation[1].
Daucic acid
Daucic acid is found in carrot. Daucic acid is found in wheat, sugar beet and sunflowe Found in wheat, sugar beet and sunflower
O-methoxycatechol-O-sulphate
O-methoxycatechol-O-sulphate is a conjugate of O-methoxycatechol and sulphate.
4-Methylcatechol 1-sulfate
4-Methylcatechol 1-sulfate is a member of the class of compounds known as phenylsulfates. Phenylsulfates are compounds containing a sulfuric acid group conjugated to a phenyl group. 4-Methylcatechol 1-sulfate is slightly soluble (in water) and an extremely strong acidic compound (based on its pKa). 4-Methylcatechol 1-sulfate has been identified in the human placenta (PMID: 32033212). 4-methyl-catechol-1-o-sulphate is a member of the class of compounds known as phenylsulfates. Phenylsulfates are compounds containing a sulfuric acid group conjugated to a phenyl group. 4-methyl-catechol-1-o-sulphate is slightly soluble (in water) and an extremely strong acidic compound (based on its pKa).
4-Methylcatechol 2-sulfate
4-Methylcatechol 2-sulfate is a member of the class of compounds known as phenylsulfates. Phenylsulfates are compounds containing a sulfuric acid group conjugated to a phenyl group. 4-Methylcatechol 2-sulfate is slightly soluble (in water) and an extremely strong acidic compound (based on its pKa). 4-Methylcatechol 2-sulfate has been identified in the human placenta (PMID: 32033212). 4-methyl-catechol-2-o-sulphate is a member of the class of compounds known as phenylsulfates. Phenylsulfates are compounds containing a sulfuric acid group conjugated to a phenyl group. 4-methyl-catechol-2-o-sulphate is slightly soluble (in water) and an extremely strong acidic compound (based on its pKa).
3-Methylcatechol 1-sulfate
3-Methylcatechol 1-sulfate belongs to the class of organic compounds known as phenylsulfates. These are compounds containing a sulfuric acid group conjugated to a phenyl group. 3-Methylcatechol sulfate is a potential urinary biomarker of whole grain intake (PMID: 27805021).
3-Methylcatechol 2-sulfate
3-Methylcatechol 2-sulfate belongs to the class of organic compounds known as phenylsulfates. These are compounds containing a sulfuric acid group conjugated to a phenyl group. 3-Methylcatechol sulfate is a potential urinary biomarker of whole grain intake (PMID: 27805021).
7,7,8,8-Tetracyanoquinodimethane
Rapalexin A
Rapalexin a is a member of the class of compounds known as indoles. Indoles are compounds containing an indole moiety, which consists of pyrrole ring fused to benzene to form 2,3-benzopyrrole. Rapalexin a is practically insoluble (in water) and a very weakly acidic compound (based on its pKa). Rapalexin a can be found in chinese cabbage, which makes rapalexin a a potential biomarker for the consumption of this food product.
Angelical
Angelical, also known as 7-methoxy-2-oxo-2h-1-benzopyran-6-carboxaldehyde or 6-formyl-7-methoxycoumarin, belongs to coumarins and derivatives class of compounds. Those are polycyclic aromatic compounds containing a 1-benzopyran moiety with a ketone group at the C2 carbon atom (1-benzopyran-2-one). Angelical is practically insoluble (in water) and an extremely weak basic (essentially neutral) compound (based on its pKa). Angelical can be found in sweet orange, which makes angelical a potential biomarker for the consumption of this food product.
(2S,3R)-2-hydroxycitric acid gamma-lactone 3-monomethyl ester|hibiscus acid 6-methyl ester
3-(4-Hydroxy-phenyl)--pentendisaeure-anhydrid|3-(4-hydroxy-phenyl)--pentenedioic acid-anhydride|4-(4-hydroxyphenyl)-3H-pyran-2,6-dione|diphysidione
(+)-(S)-2-(3,4-dihydroxy-2-oxoindolin-3-yl)acetonitrile
2-Methyl-5,6-dihydroxy-1,4-naphthochinon|5,6-Dihydroxy-2-methyl-1,4-naphthochinon|5,6-Dihydroxy-3-methyl-1,4-naphthoquinone|6-Hydroxyplumbagin
Aluminum acetate
C254 - Anti-Infective Agent > C28394 - Topical Anti-Infective Agent
2,2,2-TRIFLUORO-1-(2-HYDROXY-5-METHYLPHENYL)-ETHANONE
6-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidine-3-carboxylic acid
3-Methyl-4-oxo-3,4-dihydro-phthalazine-1-carboxylic acid
3-Quinolinecarbonitrile, 6-chloro-1,2-dihydro-2-oxo-
ETHYL 2-(HYDROXYAMINO)-4-OXO-4,5-DIHYDROTHIAZOLE-5-CARBOXYLATE
2-CHLORO-5,6,7,8-TETRAHYDRO-1,6-NAPHTHYRIDINE HYDROCHLORIDE
3-(4-methoxyphenyl)-1,2,4-oxadiazole-5-carbaldehyde
6-Chloro-4-oxo-1,4-dihydro-3-quinolinecarbonitrile
8-Chloro-4-oxo-1,4-dihydro-3-quinolinecarbonitrile
2-methyl-4-(pyrrolidin-3-yl)thiazole hydrochloride
1-OXO-1H-ISOCHROMENE-4-CARBOXYLIC ACID METHYL ESTER
Hydroxylamine,O-[(4-nitrophenyl)methyl]-, hydrochloride (1:1)
3-FORMYL-PYRAZOLO[1,5-A]PYRIDINE-2-CARBOXYLIC ACID ETHYL ESTER
O-[(2-nitrophenyl)methyl]hydroxylamine,hydrochloride
2-chloro-n-(4,5-dimethyl-1,3-thiazol-2-yl)acetamide
METHYL 3-HYDROXY-5-(METHYLTHIO)THIOPHENE-2-CARBOXYLATE
5-(4-CHLORO-PHENYL)-3H-[1,2,3]TRIAZOLE-4-CARBONITRILE
4-Chloro-2-oxo-1,2-dihydro-3-quinolinecarbonitrile
1,3-DIHYDRO-IMIDAZOL-2-ONE-5-PHENYL-4-CARBOXYLIC ACID
Hydrazinecarbothioamide,2,2-(1,2-ethanediylidene)bis-
8-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxylic acid
5-CHLORO-1-(PYRIDIN-2-YL)-1H-PYRAZOLE-4-CARBONITRILE
HYDROQUINIDINE2,5-DIPHENYL-4,6-PYRI-MIDINEDIYLDIETHER
Methyl 5-chloro-2,6-dihydroxy-4-pyrimidinecarboxylate
6-chloro-3,5,8,11-tetraazatricyclo[7.4.0.02,]trideca-1(9),2(7),3,5,10,12-hexaene
2H-Pyran-2-one, 3-(fluoroacetyl)-6-(fluoromethyl)-4-hydroxy- (9CI)
Ethanone, 1-[5-amino-3-(trifluoromethyl)-2-pyridinyl]
(5Z)-5-[(4-hydroxyphenyl)methylidene]imidazolidine-2,4-dione
5-METHYL-3-PYRIDIN-4-YL-ISOXAZOLE-4-CARBOXYLIC ACID
4-OXO-3,4-DIHYDRO-PHTHALAZINE-1-CARBOXYLIC ACID METHYL ESTER
3-methyl-4-oxo-3,4-dihydro-7-quinazolinecarboxylic acid(SALTDATA: FREE)
Thiazolo[5,4-g]quinolin-6(5H)-one, 7,8-dihydro- (9CI)
1H-Pyrrolo[2,3-b]pyridine-2-carboxylic acid, 3-formyl-, Methyl ester
4-Hydroxy-3-vinyl-1H-pyrrolo[2,3-b]pyridine-2-carboxylic acid
2-Benzothiazolecarbonitrile,6-methoxy-4-methyl-(9CI)
(5-chloro-6-Methyl-2-(Methylthio)pyrimidin-4-yl)Methanol
3-[bis(methylsulfanyl)methylidene]pentane-2,4-dione
3-formyl-4-azaindole-6-carboxylic acid Methyl ester
N-(Azetidin-3-yl)-2,2,2-trifluoroacetamide hydrochloride
Ethanone, 2,2,2-trifluoro-1-[4-(hydroxymethyl)phenyl]- (9CI)
2-(TRIFLUOROMETHYL)-[1,2,4]TRIAZOLO[1,5-F]PYRIMIDIN-5-OL
hexahydropyrazino[2,1-c][1,4]thiazin-9(6H)-one 2,2-dioxide
7-METHYL-4-OXO-4H-PYRIDO[1,2-A]PYRIMIDINE-3-CARBOXYLIC ACID
1-(3-amino-5-(trifluoromethyl)pyridin-2-yl)ethanone
7-Quinazolinecarboxylic acid, 1,2-dihydro-2-oxo-, methyl ester
4-Hydroxy-7-methyl-1,8-naphthyridine-3-carboxylic acid
4-Thiazolecarboxylicacid, 5-amino-2,3-dihydro-2-thioxo-, ethyl ester
3-Chloro-5,6,7,8-tetrahydro-1,6-naphthyridine hydrochloride
1H-1,2,4-Triazole-1-carbonyl chloride, 3-(dimethylamino)-4,5-dihydro-4-methyl-5-oxo- (9CI)
1H-1,2,4-Triazole-1-carbonyl chloride, 3-(dimethylamino)-2,5-dihydro-2-methyl-5-oxo- (9CI)
[2-(3,4-dichloro-phenyl)-ethyl]-hydrazine hydrochloride
methyl 2-oxo-2-(1H-pyrrolo[2,3-b]pyridin-3-yl)acetate
1-METHYL-3-(5-METHYLTHIO-1,2,4-THIADIAZOL-3-YL)UREA
6-(Trifluoromethyl)-1H-pyrazolo[3,4-d]pyrimidin-4-ol
4-Amino-2-methylthio-thiazole-5-carboxylic acid methyl ester
4-Hydroxy-3-methoxybenzenesulfonic acid
R - Respiratory system > R05 - Cough and cold preparations > R05C - Expectorants, excl. combinations with cough suppressants > R05CA - Expectorants C78273 - Agent Affecting Respiratory System > C29767 - Expectorant
(3R,5S)-2,3,5,6,7-pentahydro-1,4-thiazepine-3,5-dicarboxylate
1,4-Dihydroxy-2-naphthoic acid
A naphthoic acid that is 2-naphthoic acid substituted by hydroxy groups at positions 1 and 4.
Xanthurenate
A quinolinemonocarboxylate that is the conjugate base of xanthurenic acid, obtained by deprotonation of the carboxy group.
(1r,4s,5r,7s,11s)-5-chloro-2,10-dioxatricyclo[5.3.1.0⁴,¹¹]undecan-4-ol
6-hydroxy-1a-methyl-7ah-naphtho[2,3-b]oxirene-2,7-dione
7-methoxy-2-oxochromene-8-carbaldehyde
{"Ingredient_id": "HBIN013311","Ingredient_name": "7-methoxy-2-oxochromene-8-carbaldehyde","Alias": "7-methoxy-2-oxo-8-chromenecarboxaldehyde; 2-keto-7-methoxy-chromene-8-carbaldehyde; 7-methoxy-2-oxo-chromene-8-carbaldehyde","Ingredient_formula": "C11H8O4","Ingredient_Smile": "NA","Ingredient_weight": "204.18","OB_score": "21.4862191","CAS_id": "6724-42-1","SymMap_id": "SMIT05635","TCMID_id": "NA","TCMSP_id": "MOL003586","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
