Exact Mass: 463.12517920000005

Exact Mass Matches: 463.12517920000005

Found 453 metabolites which its exact mass value is equals to given mass value 463.12517920000005, within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error 0.01 dalton.

7-Methylthioheptyl glucosinolate

C15H29NO9S3 (463.10043840000003)

Acquisition and generation of the data is financially supported by the Max-Planck-Society

Peonidin-3-glucoside

5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-3-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1lambda4-chromen-1-ylium

[C22H23O11]+ (463.1240308)

Peonidin-3-glucoside has been proposed by Wu et al. [PMID: 12097661] to be a secondary metabolite of cyanidin-3-glucoside which may be methylated by liver enzymes during phase II metabolism. Peonidin 3-glucoside is isolated from grapes and many other plant spp. It is found in red wine, common wheat, and lowbush blueberry. Acquisition and generation of the data is financially supported in part by CREST/JST.

1D-myo-inositol 2-acetamido-2-deoxy-alpha-D-glucopyranoside 3-phosphate

1-O-(2-Acetamido-2-deoxy-alpha-D-glucopyranosyl)-1D-myo-inositol 3-phosphate

C14H26NO14P (463.1090866)

L 735821

(E)-3-(2,4-dichlorophenyl)-N-[(3R)-1-methyl-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl]prop-2-enamide

C25H19Cl2N3O2 (463.0854254)

D002317 - Cardiovascular Agents > D026902 - Potassium Channel Blockers D049990 - Membrane Transport Modulators

Pinotin A aglycone

7-(3,4-dihydroxyphenyl)-4,11-dihydroxy-3-(4-hydroxy-3,5-dimethoxyphenyl)-2λ⁴,8-dioxatricyclo[7.3.1.0⁵,¹³]trideca-1(13),2,4,6,9,11-hexaen-2-ylium

C25H19O9 (463.10290240000006)

Pinotin A aglycone is a polyphenol compound found in foods of plant origin (PMID: 20428313)

Isopeonidin 3-galactoside

5,7-dihydroxy-2-(3-hydroxy-4-methoxyphenyl)-3-{[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1λ⁴-chromen-1-ylium

C22H23O11+ (463.1240308)

Isopeonidin 3-galactoside is a polyphenol metabolite detected in biological fluids (PMID: 20428313). A polyphenol metabolite detected in biological fluids [PhenolExplorer]

Isopeonidin 3-glucoside

5,7-dihydroxy-2-(3-hydroxy-4-methoxyphenyl)-3-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1λ⁴-chromen-1-ylium

C22H23O11+ (463.1240308)

Isopeonidin 3-glucoside is a polyphenol metabolite detected in biological fluids (PMID: 20428313). A polyphenol metabolite detected in biological fluids [PhenolExplorer]

Rosuvastatin 5 S-lactone

N-[4-(4-fluorophenyl)-5-[(E)-2-[(2S,4R)-4-hydroxy-6-oxooxan-2-yl]ethenyl]-6-(propan-2-yl)pyrimidin-2-yl]-N-methylmethanesulfonamide

C22H26FN3O5S (463.1577118000001)

Rosuvastatin 5 S-lactone is a metabolite of rosuvastatin. Rosuvastatin (marketed by AstraZeneca as Crestor) is a member of the drug class of statins, used to treat high cholesterol and related conditions, and to prevent cardiovascular disease. It was developed by Shionogi. (Wikipedia)

ent-Rosuvastatin Lactone

N-[4-(4-Fluorophenyl)-5-[2-(4-hydroxy-6-oxooxan-2-yl)ethenyl]-6-(propan-2-yl)pyrimidin-2-yl]-N-methylmethanesulphonamide

C22H26FN3O5S (463.1577118000001)

Glutamate nitrogen

bis(5-amino-4,8-dioxo-1,3,2-dioxazocan-2-yl) 2-aminopentanedioate

C15H21N5O12 (463.11866660000004)

Sipoglitazar

3-[3-ethoxy-1-({4-[(2-phenyl-1,3-thiazol-4-yl)methoxy]phenyl}methyl)-1H-pyrazol-4-yl]propanoic acid

C25H25N3O4S (463.15656900000005)

C78276 - Agent Affecting Digestive System or Metabolism > C29711 - Anti-diabetic Agent > C154291 - Peroxisome Proliferator-Activated Receptor Agonist

N-Carbobenzoxyglycyl-prolyl-4-methylcoumarinyl amide

1-(2-{[(benzyloxy)(hydroxy)methylidene]amino}acetyl)-N-(4-methyl-2-oxo-2H-chromen-7-yl)pyrrolidine-2-carboximidate

C25H25N3O6 (463.174327)

Malvidin 3-arabinoside

3-{[(2R,3S,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy}-5,7-dihydroxy-2-(4-hydroxy-3,5-dimethoxyphenyl)-1λ⁴-chromen-1-ylium

C22H23O11 (463.1240308)

Malvidin 3-arabinoside is practically insoluble (in water) and a very weakly acidic compound (based on its pKa). Malvidin 3-arabinoside can be found in a number of food items such as sweet cherry, lingonberry, red raspberry, and american cranberry, which makes malvidin 3-arabinoside a potential biomarker for the consumption of these food products.

Peonidin 3-galactoside

5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-3-{[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1lambda4-chromen-1-ylium

C22H23O11 (463.1240308)

Peonidin 3-galactoside is a member of the class of compounds known as anthocyanidin-3-o-glycosides. Anthocyanidin-3-o-glycosides are phenolic compounds containing one anthocyanidin moiety which is O-glycosidically linked to a carbohydrate moiety at the C3-position. Peonidin 3-galactoside is practically insoluble (in water) and a very weakly acidic compound (based on its pKa). Peonidin 3-galactoside can be found in a number of food items such as mango, red raspberry, rubus (blackberry, raspberry), and bilberry, which makes peonidin 3-galactoside a potential biomarker for the consumption of these food products.

7-methylthioheptyl glucosinolate

({[8-(methylsulphanyl)-1-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]sulphanyl}octylidene]amino}oxy)sulphonic acid

C15H29NO9S3 (463.10043840000003)

7-methylthioheptyl glucosinolate is a member of the class of compounds known as alkylglucosinolates. Alkylglucosinolates are organic compounds containing a glucosinolate moiety that carries an alkyl chain. 7-methylthioheptyl glucosinolate is slightly soluble (in water) and an extremely strong acidic compound (based on its pKa). 7-methylthioheptyl glucosinolate can be found in a number of food items such as macadamia nut (m. tetraphylla), annual wild rice, herbs and spices, and horseradish tree, which makes 7-methylthioheptyl glucosinolate a potential biomarker for the consumption of these food products.

Peonidin galactoside

5,7-Dihydroxy-2- (4-hydroxy-3-methoxyphenyl) -3- (beta-D-galactopyranosyloxy) -1-benzopyrylium

C22H23O11 (463.1240308)

Glochidacuminoside D

C21H21NO11 (463.1114556)

5-Methylcyanidin 3-glucoside

3,7,3,4-Tetrahydroxy-5-methylflavylium 3-glucoside

C22H23O11 (463.1240308)

Petunidin 3-rhamnoside

C22H23O11 (463.1240308)

Malvidin 3-arabinoside

3- (beta-D-Arabinofuranosyloxy) -5,7-dihydroxy-2- (4-hydroxy-3,5-dimethoxyphenyl) -1-benzopyrylium

C22H23O11 (463.1240308)

Pulchellidin 3-rhamnoside

C22H23O11 (463.1240308)

Glucopeonidin

5,7-Dihydroxy-2- (4-hydroxy-3-methoxyphenyl) -3- (beta-D-glucopyranosyloxy) -1-benzopyrylium

C22H23O11+ (463.1240308)

O1-Benzoyl-2-(4-{[3-chloro-5-(trifluoromethyl)-2-pyridyl]methoxy}phenyl)ethanehydroximamide

C22H17ClF3N3O3 (463.09104780000007)

dG-C8-IQ

C21H21N9O4 (463.17164260000004)

consensus spectrum

mayamycin

C26H25NO7 (463.163094)

(S)-Phenyl-(tetra-O-acetyl-beta-D-glucopyranosyloxy)-acetonitril|(S)-phenyl-(tetra-O-acetyl-beta-D-glucopyranosyloxy)-acetonitrile|sambunigrin tetraacetate

C22H25NO10 (463.147839)

siphonazole|siphonazole A

C25H25N3O6 (463.174327)

Thr Asp Asn Asp

(2S)-2-[(2S)-2-[(2S)-2-[(2S,3R)-2-amino-3-hydroxybutanamido]-3-carboxypropanamido]-3-carbamoylpropanamido]butanedioic acid

C16H25N5O11 (463.15504999999996)

Peonidine-3-O-glucoside chloride

[C22H23O11]+ (463.1240308)

Peonidin-3-O-beta-galactopyranoside

[C22H23O11]+ (463.1240308)

Acquisition and generation of the data is financially supported in part by CREST/JST.

Annotation level-1

(Methylsulfanyl)heptyl glucosinolate

C15H29NO9S3 (463.10043840000003)

Annotation level-3

Peonidin-3-O-glucoside

[C22H23O11]+ (463.1240308)

Annotation level-1

AVE3295

C25H22FN3O3S (463.13658340000006)

CONFIDENCE standard compound; INTERNAL_ID 1003; DATASET 20200303_ENTACT_RP_MIX502; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4217; ORIGINAL_PRECURSOR_SCAN_NO 4215 CONFIDENCE standard compound; INTERNAL_ID 1003; DATASET 20200303_ENTACT_RP_MIX502; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4235; ORIGINAL_PRECURSOR_SCAN_NO 4234 CONFIDENCE standard compound; INTERNAL_ID 1003; DATASET 20200303_ENTACT_RP_MIX502; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4218; ORIGINAL_PRECURSOR_SCAN_NO 4217 CONFIDENCE standard compound; INTERNAL_ID 1003; DATASET 20200303_ENTACT_RP_MIX502; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4228; ORIGINAL_PRECURSOR_SCAN_NO 4226 CONFIDENCE standard compound; INTERNAL_ID 1003; DATASET 20200303_ENTACT_RP_MIX502; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4237; ORIGINAL_PRECURSOR_SCAN_NO 4236 CONFIDENCE standard compound; INTERNAL_ID 1003; DATASET 20200303_ENTACT_RP_MIX502; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4231; ORIGINAL_PRECURSOR_SCAN_NO 4229 CONFIDENCE standard compound; INTERNAL_ID 1003; DATASET 20200303_ENTACT_RP_MIX502; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9056; ORIGINAL_PRECURSOR_SCAN_NO 9054 CONFIDENCE standard compound; INTERNAL_ID 1003; DATASET 20200303_ENTACT_RP_MIX502; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9059; ORIGINAL_PRECURSOR_SCAN_NO 9057 CONFIDENCE standard compound; INTERNAL_ID 1003; DATASET 20200303_ENTACT_RP_MIX502; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9067; ORIGINAL_PRECURSOR_SCAN_NO 9066 CONFIDENCE standard compound; INTERNAL_ID 1003; DATASET 20200303_ENTACT_RP_MIX502; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9069; ORIGINAL_PRECURSOR_SCAN_NO 9067 CONFIDENCE standard compound; INTERNAL_ID 1003; DATASET 20200303_ENTACT_RP_MIX502; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9087; ORIGINAL_PRECURSOR_SCAN_NO 9082 CONFIDENCE standard compound; INTERNAL_ID 1003; DATASET 20200303_ENTACT_RP_MIX502; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9081; ORIGINAL_PRECURSOR_SCAN_NO 9077

8-2-Amino-3-methylimidazo[4,5-f]quinoline-deoxyguanosine

C21H21N9O4 (463.17164260000004)

Ala Asp Met Gln

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-aminopropanamido]-3-carboxypropanamido]-4-(methylsulfanyl)butanamido]-4-carbamoylbutanoic acid