Exact Mass: 223.99094639999998
Exact Mass Matches: 223.99094639999998
Found 500 metabolites which its exact mass value is equals to given mass value 223.99094639999998
,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
Sideretin (reduced form)
A hydroxycoumarin that is fraxetin which has been substituted by an additional hydroxy group at positions 5. It is the primary molecule exuded by Arabidopsis thaliana roots in response to iron deficiency.
Dehydrochorismic acid
Dehydrochorismic acid is isolated from pollen of Pinus densiflora (Japanese red pine Isolated from pollen of Pinus densiflora (Japanese red pine)
Cysteinyl-Cysteine
C6H12N2O3S2 (224.02893219999999)
Cysteinyl-Cysteine is a dipeptied compoosed of two cysteine residues. It is an incomplete breakdown product of protein digestion or protein catabolism. Some dipeptides are known to have physiological or cell-signaling effects although most are simply short-lived intermediates on their way to specific amino acid degradation pathways following further proteolysis. This dipeptide has not yet been identified in human tissues or biofluids and so it is classified as an Expected metabolite.
3-[(1R,2R,3S)-3-Carboxy-1,2,3-trihydroxypropyl]dioxirane-3-carboxylic acid
3-Amino-5-(3-thiophenyl)-2-thiophenecarboxamide
C9H8N2OS2 (224.00780379999998)
1-Naphthol-5-sulfonic acid
CONFIDENCE Reference Standard (Level 1); INTERNAL_ID 8330
2,4-diformyl-3,5-dihydroxybenzoic acid methyl ester|rubramin
3R-5-formyl-4,6-dihydroxy-3-methoxyphthalide|rubralide A
2-Naphthol-6-sulfonic acid
CONFIDENCE standard compound; INTERNAL_ID 1331; DATASET 20200303_ENTACT_RP_MIX504; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 1923; ORIGINAL_PRECURSOR_SCAN_NO 1922 CONFIDENCE standard compound; INTERNAL_ID 1331; DATASET 20200303_ENTACT_RP_MIX504; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 1944; ORIGINAL_PRECURSOR_SCAN_NO 1943 CONFIDENCE standard compound; INTERNAL_ID 1331; DATASET 20200303_ENTACT_RP_MIX504; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 1927; ORIGINAL_PRECURSOR_SCAN_NO 1926 CONFIDENCE standard compound; INTERNAL_ID 1331; DATASET 20200303_ENTACT_RP_MIX504; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 1931; ORIGINAL_PRECURSOR_SCAN_NO 1930 CONFIDENCE standard compound; INTERNAL_ID 1331; DATASET 20200303_ENTACT_RP_MIX504; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 1934; ORIGINAL_PRECURSOR_SCAN_NO 1933 CONFIDENCE standard compound; INTERNAL_ID 1331; DATASET 20200303_ENTACT_RP_MIX504; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 1952; ORIGINAL_PRECURSOR_SCAN_NO 1951 CONFIDENCE standard compound; INTERNAL_ID 234; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 1943; ORIGINAL_PRECURSOR_SCAN_NO 1942 CONFIDENCE standard compound; INTERNAL_ID 234; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 1942; ORIGINAL_PRECURSOR_SCAN_NO 1941 CONFIDENCE standard compound; INTERNAL_ID 234; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 1984; ORIGINAL_PRECURSOR_SCAN_NO 1983 CONFIDENCE standard compound; INTERNAL_ID 234; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 1930; ORIGINAL_PRECURSOR_SCAN_NO 1929 CONFIDENCE standard compound; INTERNAL_ID 234; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 1988; ORIGINAL_PRECURSOR_SCAN_NO 1987 CONFIDENCE standard compound; INTERNAL_ID 234; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 1941; ORIGINAL_PRECURSOR_SCAN_NO 1940
Cys-cys
C6H12N2O3S2 (224.02893219999999)
A dipeptide formed from two L-cysteine residues.
3-pyridyl-(2-thioxothiazolidin-3-yl)methanone
C9H8N2OS2 (224.00780379999998)
1-[3-Chloro-5-(trifluoromethyl)-2-pyridinyl]ethanamine
C8H8ClF3N2 (224.03280739999997)
Methyl 2-(chloromethyl)-1H-benzo[d]imidazole-7-carboxylate
5-hydroxymethylorotic acid potassium salt
C6H5KN2O5 (223.98355400000003)
Ethyl 3-chloro-imidazo[1,5-a]pyridine-1-carboxylate
3-chloro-4-(trifluoromethyl)benzoic acid
C8H4ClF3O2 (223.98519100000001)
5-Chloro-1H-indazole-3-carboxylic acid ethyl ester
1-(2,4-DIFLUORO-3-(TRIFLUOROMETHYL)PHENYL)ETHANONE
4-Chloro-2-(trifluoromethyl)benzoic acid
C8H4ClF3O2 (223.98519100000001)
4-ACETYL-2-(2-METHYLTHIAZOL-4-YL)THIAZOLE
C9H8N2OS2 (224.00780379999998)
2,4,5-Trifluoro-3-methoxybenzoyl chloride
C8H4ClF3O2 (223.98519100000001)
5-(4-chlorophenyl)-1-methyl-1h-imidazole-2-thiol
C10H9ClN2S (224.01749439999998)
4-(chloromethyl)-1-methoxy-2-(trifluoromethyl)benzene
C9H8ClF3O (224.02157439999996)
2-(3-Chloro-5-(trifluoromethyl)pyridin-2-yl)ethanamine
C8H8ClF3N2 (224.03280739999997)
7-CHLORO-3-OXO-3,4-DIHYDROQUINOXALINE-2-CARBOXYLIC ACID
3-(Trifluoromethyl)benzene-1-carboximidamide hydrochloride
C8H8ClF3N2 (224.03280739999997)
6-CHLORO-4-OXO-1,4-DIHYDRO-1,5-NAPHTHYRIDINE-3-CARBOXYLIC ACID
4-FLUORO-3-METHOXYBENZENESULPHONYL CHLORID
C7H6ClFO3S (223.97102080000002)
4-Chloro-5,6,7,8-tetrahydro-1-benzothieno[2,3-d]pyrimidine
C10H9ClN2S (224.01749439999998)
2-CHLOROMETHYL-IMIDAZO[1,2-A]PYRIDINE-8-CARBOXYLIC ACID METHYL ESTER
3-CHLORO-5-(TRIFLUOROMETHYL)BENZOICACID
C8H4ClF3O2 (223.98519100000001)
Aceticacid, 2,2,2-trifluoro-, 2-(2,2,2-trifluoroacetyl)hydrazide
3-ALLYL-2-MERCAPTOTHIENO[3,2-D]PYRIMIDIN-4(3H)-ONE
C9H8N2OS2 (224.00780379999998)
Ethyl 6-chloroimidazo[1,2-a]pyridine-2-carboxylate
2,4-DIAMINOBENZOIC ACID DIHYDROCHLORIDE
C7H10Cl2N2O2 (224.01193000000004)
4-methyl-4-(trichloromethyl)cyclohexa-2,5-dien-1-one
ethyl 5-chloro-1H-pyrrolo(2,3-c)pyridine-2-carboxylate
3-Chloro-5-(trifluoromethoxy)benzaldehyde
C8H4ClF3O2 (223.98519100000001)
methyl 4-chloropyrazolo[1,5-a]pyridine-3-carboxylate
2-(Trifluoromethoxy)benzoyl chloride
C8H4ClF3O2 (223.98519100000001)
2-Fluoro-4-Methoxybenzenesulfonyl Chloride
C7H6ClFO3S (223.97102080000002)
1-[4-chloro-3-(trifluoromethyl)phenyl]ethanol
C9H8ClF3O (224.02157439999996)
3-(Chloromethyl)-5-(2-methoxyphenyl)-1,2,4-oxadiazole
2-(chloromethyl)-5-(4-methoxyphenyl)-1,3,4-oxadiazole
5-(2-CHLORO-BENZYL)-THIAZOL-2-YLAMINE
C10H9ClN2S (224.01749439999998)
5-(4-fluorophenyl)furan-2-carbonyl chloride
C11H6ClFO2 (224.00403380000003)
METHYL 3-OXO-3,4-DIHYDRO-2H-PYRIDO[3,2-B][1,4]THIAZINE-6-CARBOXYLATE
methyl 1-acetylthieno[3,2-c]pyrazole-5-carboxylate
5-CHLORO-2-(1H-TETRAZOL-1-YL)BENZOIC ACID
C8H5ClN4O2 (224.01010200000002)
4-Chloro-1H-pyrrolo[2,3-b]pyridine-5-carboxylic acid ethyl ester
(4-CHLORO-2-METHYLPHENOXY)ACETICACIDMETHYLESTER
C8H8ClF3N2 (224.03280739999997)
2-HYDROXYIMINO-2-[(4-METHYLPHENYL)SULFONYL]ACETONITRILE
5-(chloromethyl)-3-(4-methoxyphenyl)-1,2,4-oxadiazole
methylenebis(3-mercaptopropionic acid)
C7H12O4S2 (224.01769919999998)
2-amino-4-(4-chlorophenyl)-5-methylthiazole
C10H9ClN2S (224.01749439999998)
2-Propen-1-one,3,3-bis(methylthio)-1-phenyl-
C11H12OS2 (224.03295419999998)
2-Chloro-6-(trifluoromethyl)benzoic acid
C8H4ClF3O2 (223.98519100000001)
4-(METHYLTHIO)-6-(2-THIENYL)-1,3,5-TRIAZIN-2-AMINE
methyl 5-chloro-1-oxo-2,3-dihydro-1H-indene-2-carboxylate
4-(2-Chloro-acetyl)-3,4-dihydro-1H-quinoxalin-2-one
ethyl 5-chloroimidazo[1,5-a]pyridine-1-carboxylate
Benzoic acid,3,5-diamino-, hydrochloride (1:2)
C7H10Cl2N2O2 (224.01193000000004)
6-CHLORO-2H-CHROMENE-3-CARBOXYLIC ACID METHYL ESTER
5-CHLORO-1H-BENZOIMIDAZOLE-2-CARBOXYLIC ACID ETHYL ESTER
Ethyl 4-oxo-3,4-dihydrothieno[3,2-d]pyrimidine-2-carboxylate
1-(2,3-DIFLUORO-4-(TRIFLUOROMETHYL)PHENYL)ETHANONE
4-FLUORO-2-METHOXYBENZENE-1-SULFONYL CHLORIDE
C7H6ClFO3S (223.97102080000002)
4-Chloro-3-(trifluoromethyl)benzoic acid
C8H4ClF3O2 (223.98519100000001)
1-Methyl-4-((trifluoromethyl)sulfonyl)benzene
C8H7F3O2S (224.01188380000002)
(4-(Difluoromethoxy)-3,5-difluorophenyl)boronic acid
(4-CHLOROMETHYL-THIAZOL-2-YL)-PHENYL-AMINE
C10H9ClN2S (224.01749439999998)
Methyl 3-chloro-2,4,5-trifluorobenzoate
C8H4ClF3O2 (223.98519100000001)
4-(Trifluoromethoxy)benzoyl chloride
C8H4ClF3O2 (223.98519100000001)
2-Nitro-5-thiocyanatobenzoic Acid
D019995 - Laboratory Chemicals > D007202 - Indicators and Reagents D004791 - Enzyme Inhibitors
5-(Chloromethyl)-3-(2-methoxyphenyl)-1,2,4-oxadiazole
Acetamide, N-(2,3-dihydro-2-thioxo-6-benzothiazolyl)- (9CI)
C9H8N2OS2 (224.00780379999998)
4-(3-Chloro-phenyl)-5- methyl-thiazol-2-ylamine
C10H9ClN2S (224.01749439999998)
5-Chloro-3-fluoro-N-isopropylpyridin-2-amine hydrochloride
2-(Trifluoromethyl)-1H-imidazole-4,5-dicarboxylic acid
C6H3F3N2O4 (224.00449139999998)
(6-Chloro-4-methyl-1H-pyrrolo[2,3-b]pyridin-3-yl)acetic acid
ethyl 6-chloro-1H-pyrrolo[2,3-b]pyridine-1-carboxylate
2,3-DIMETHYL-5-OXO-5H-THIAZOLO[3,2-A]PYRIMIDINE-6-CARBOXYLIC ACID
Ethyl 6-chloropyrazolo[1,5-a]pyridine-3-carboxylate
ETHYL 5-OXO-5H-THIAZOLO[3,2-A]PYRIMIDINE-6-CARBOXYLATE
IMidazo[1,2-a]pyridine-2-carboxylic acid, 7-chloro-, ethyl ester
2-(1-carboxyethylsulfanylmethylsulfanyl)propanoic acid
C7H12O4S2 (224.01769919999998)
1-(4-chloro-3-methylphenyl)-2,2,2-trifluoroethanol
C9H8ClF3O (224.02157439999996)
6-CHLORO-4-OXO-1,4-DIHYDROQUINAZOLINE-7-CARBOXYLIC ACID
2-(Trifluoromethyl)phenyl carbonochloridate
C8H4ClF3O2 (223.98519100000001)
3-(TRIFLUOROMETHYL)PHENYL CHLOROFORMATE
C8H4ClF3O2 (223.98519100000001)
Naphthalene,1,5-bis(chloromethyl)-
C12H10Cl2 (224.01595200000003)
1-(4-Chloro-1H-pyrrolo[2,3-b]pyridin-5-yl)-2-methoxyethanone
ethyl 4-chloro-1H-pyrrolo[2,3-c]pyridine-2-carboxylate
3-(chloromethyl)-5-(4-methoxyphenyl)-1,2,4-oxadiazole
1,1,1,5,5,5-HEXAFLUORO-2-HYDROXY-2-METHYLPENTAN-4-ONE
5-(2-fluorophenyl)furan-2-carbonyl chloride
C11H6ClFO2 (224.00403380000003)
5-benzylthio-3-hydroxy-1,2,4-thiadiazole
C9H8N2OS2 (224.00780379999998)
1-(Methylsulfonyl)-3-(trifluoromethyl)benzene
C8H7F3O2S (224.01188380000002)
Potassium 1-naphthylacetate
1-Naphthaleneacetic acid potassium salt (Potassium 1-Naphthaleneacetate), a synthetic auxin, can promote plant growth. 1-Naphthaleneacetic acid potassium salt is also an inhibitor of PLA2, with an IC50 of 13.16 μM[1][2].
ethyl 6-chloro-1H-pyrrolo[2,3-b]pyridine-2-carboxylate
Ethyl 5-chloro-1H-pyrrolo[3,2-b]pyridine-2-carboxylate
1,2-Diamino-4,5-methylenedioxybenzene, dihydrochloride
C7H10Cl2N2O2 (224.01193000000004)
methyl 2-[(2-methoxy-2-oxoethyl)sulfanylmethylsulfanyl]acetate
C7H12O4S2 (224.01769919999998)
[2-Fluoro-3-(trifluoromethoxy)phenyl]-boronic acid
3-(Trifluoromethoxy)benzoyl chloride
C8H4ClF3O2 (223.98519100000001)
3,5-DICHLOROBENZENE-1-CARBOXIMIDAMIDE HYDROCHLORIDE
(S)-2,4-Dichloro-alpha-(chloromethyl)-benzenemethanol
5,5,5-trifluoro-4-hydroxy-4-(trifluoromethyl)pentan-2-one
Potassium 2-hydroxy-2-methylsuccinate
Potassium 2-hydroxy-2-methylsuccinate is an endogenous metabolite.
3-Fluoro-2-Methoxy-benzenesulfonyl Chloride
C7H6ClFO3S (223.97102080000002)
2-acetyl-5-chloro-3-methylthianaphthene
C11H9ClOS (224.00626139999997)
2-Chloro-5-(trifluoromethyl)benzoic acid
C8H4ClF3O2 (223.98519100000001)
3-Fluoro-4-methoxybenzenesulfonyl chloride
C7H6ClFO3S (223.97102080000002)
5-Fluoro-2-methoxybenzenesulfonyl chloride
C7H6ClFO3S (223.97102080000002)
3-Chloro-4-(trifluoromethoxy)benzaldehyde
C8H4ClF3O2 (223.98519100000001)
3-Nitro-6-(trifluoromethyl)-2,4-pyridinediol
C6H3F3N2O4 (224.00449139999998)
3-ALLYL-2-MERCAPTOTHIENO[2,3-D]PYRIMIDIN-4(3H)-ONE
C9H8N2OS2 (224.00780379999998)
3-(CHLORO-DIFLUORO-METHOXY)-BENZOYL FLUORIDE
C8H4ClF3O2 (223.98519100000001)
2-Chloro-4-(trifluoromethyl)benzoic acid
C8H4ClF3O2 (223.98519100000001)
2-prop-2-enylsulfanyl-3,4,7,9-tetrazabicyclo[4.3.0]nona-1,6,8-triene-5-thione
5-Chloro-2-(trifluoromethyl)benzoic acid
C8H4ClF3O2 (223.98519100000001)
2-Chloro-3-(trifluoromethyl)benzoic acid
C8H4ClF3O2 (223.98519100000001)
5-(4-chlorophenyl)-1,2,4-oxadiazole-3-carboxylic acid
Ethyl 4-fluorobenzo[b]thiophene-2-carboxylate
C11H9FO2S (224.03072659999998)
(2R,11AS)-2-HYDROXY-1,2,3,11A-TETRAHYDRO-10H-PYRROLO[2,1-C][1,4]-BENZODIAZEPINE-5,11-DIONE
3-(Carboxymethyl)-1,2,4-cyclopentanetricarboxylic Acid 1,4:2,3-Dianhydride
5-Chloro-2-(trifluoromethoxy)benzaldehyde
C8H4ClF3O2 (223.98519100000001)
2H-1-Benzopyran-2-one, 3-chloro-7-methoxy-4-methyl-
N-(4-chlorophenyl)-4-methyl-1,3-thiazol-2-amine
C10H9ClN2S (224.01749439999998)
2,2,3,3-Tetrahydroxy-2,3-dihydronaphthalene-1,4-dione
3-Chloro-4-propan-2-ylsulfonylthiophene
C7H9ClO2S2 (223.97324840000002)
4-(Dichloroacetyl)-1-piperazinecarboxaldehyde
C7H10Cl2N2O2 (224.01193000000004)
3,6-dichloro-3a-methyl-dihydro-3H-furo[3,2-b]furan-2,5-dione
(2E,4E)-2,5-dichloro-3-methylhexa-2,4-dienedioic acid
2-Chloro-2-(4-chloro-2-methyl-5-oxofuran-2-yl)acetic acid
(3S,4R)-4,5-dichloro-3,4-dihydroxycyclohexa-1,5-diene-1-carboxylic acid
(2Z,4Z)-2,3-dichloro-5-methylhexa-2,4-dienedioic acid
2-chloro-2-(4-chloro-3-methyl-5-oxo-2H-furan-2-yl)acetic acid
2-Chloro-2-(2-chloro-4-methyl-5-oxofuran-2-yl)acetic acid
4-amino-[2,3-bithiophene]-5-carboxamide
C9H8N2OS2 (224.00780379999998)
5-(Thiophen-2-ylmethyl)-1,3-diazinane-2,4,6-trione
Propylene 1,2-bis(dithiocarbamate)
C5H8N2S4-2 (223.95703279999998)
(1s,4s)-prephenate(2-)
A prephenate(2-) obtained by deprotonation of both carboxy groups of (1s,4s)-prephenic acid; major species at pH 7.3.
Prephenate(2-)
A dicarboxylic acid dianion that is the conjugate base of prephenic acid; major species at pH 7.3.
(4,6-dihydroxy-3-oxo-1h-2-benzofuran-1-yl)acetic acid
3,5-diformyl-2,4-dihydroxy-6-methylbenzoic acid
{"Ingredient_id": "HBIN007606","Ingredient_name": "3,5-diformyl-2,4-dihydroxy-6-methylbenzoic acid","Alias": "NA","Ingredient_formula": "C10H8O6","Ingredient_Smile": "NA","Ingredient_weight": "224.17","OB_score": "39.00228038","CAS_id": "60011-10-1","SymMap_id": "SMIT12685","TCMID_id": "NA","TCMSP_id": "MOL011837","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}