Exact Mass: 595.1732758

Exact Mass Matches: 595.1732758

Found 57 metabolites which its exact mass value is equals to given mass value 595.1732758, within given mass tolerance error 0.01 dalton. Try search metabolite list with more accurate mass tolerance error 0.001 dalton.

Pelargonidin 3,5-di-O-glucoside

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

[C27H31O15]+ (595.1662876)


Pelargonin is a member of the class of compounds known as anthocyanidin-5-o-glycosides. Anthocyanidin-5-o-glycosides are phenolic compounds containing one anthocyanidin moiety which is O-glycosidically linked to a carbohydrate moiety at the C5-position. Pelargonin is slightly soluble (in water) and a very weakly acidic compound (based on its pKa). Pelargonin can be found in a number of food items such as green bean, grass pea, pomegranate, and yellow wax bean, which makes pelargonin a potential biomarker for the consumption of these food products. Pelargonin is an anthocyanin. It is the 3,5-O-diglucoside of pelargonidin . Acquisition and generation of the data is financially supported in part by CREST/JST. [Raw Data] CBB01_Pelargonin_pos_50eV.txt [Raw Data] CBB01_Pelargonin_pos_40eV.txt [Raw Data] CBB01_Pelargonin_pos_20eV.txt [Raw Data] CBB01_Pelargonin_pos_10eV.txt [Raw Data] CBB01_Pelargonin_pos_30eV.txt

   

Cyanidin 3-rutinoside

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

[C27H31O15]+ (595.1662876)


Cyanidin 3-rutinoside is found in asparagus. Antirrhinin is an anthocyanin. It is the 3-rutinoside of cyanidin. It can be found in blackcurrant Antirrhinin is an anthocyanin. It is the 3-rutinoside of cyanidin. It can be found in blackcurrant. Acquisition and generation of the data is financially supported in part by CREST/JST. [Raw Data] CBA67_Keracyanine_pos_30eV.txt [Raw Data] CBA67_Keracyanine_pos_40eV.txt [Raw Data] CBA67_Keracyanine_pos_50eV.txt [Raw Data] CBA67_Keracyanine_pos_10eV.txt [Raw Data] CBA67_Keracyanine_neg_40eV.txt [Raw Data] CBA67_Keracyanine_neg_20eV.txt [Raw Data] CBA67_Keracyanine_neg_10eV.txt [Raw Data] CBA67_Keracyanine_neg_30eV.txt [Raw Data] CBA67_Keracyanine_neg_50eV.txt [Raw Data] CBA67_Keracyanine_pos_20eV.txt

   

Pelargonidin 3-O-sophoroside

Pelargonidin 3-O-sophoroside

C27H31O15 (595.1662876)


   

3,7-Bis(beta-D-glucopyranosyloxy)-4,5-dihydroxyflavylium

3,7-Bis(beta-D-glucopyranosyloxy)-4,5-dihydroxyflavylium

C27H31O15+ (595.1662876)


   

Pelargonin

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

C27H31O15+ (595.1662876)


Pelargonin is a member of the class of compounds known as anthocyanidin-5-o-glycosides. Anthocyanidin-5-o-glycosides are phenolic compounds containing one anthocyanidin moiety which is O-glycosidically linked to a carbohydrate moiety at the C5-position. Pelargonin is slightly soluble (in water) and a very weakly acidic compound (based on its pKa). Pelargonin can be found in a number of food items such as green bean, grass pea, pomegranate, and yellow wax bean, which makes pelargonin a potential biomarker for the consumption of these food products. Pelargonin is an anthocyanin. It is the 3,5-O-diglucoside of pelargonidin . Pelargonin, also known as pelargonin chloride (CAS: 17334-58-6), belongs to the class of organic compounds known as anthocyanidin-5-O-glycosides. These are phenolic compounds containing one anthocyanidin moiety which is O-glycosidically linked to a carbohydrate moiety at the C5-position. Pelargonin is a pigment found in barberries, the petals of the scarlet pelargonium flower pomegranates, and red wine. Pelargonin is found in common bean.

   

Cyanidin 3-rhamnoside 5-glucoside

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

C27H31O15+ (595.1662876)


Cyanidin 3-rhamnoside 5-glucoside is found in common pea. Cyanidin 3-rhamnoside 5-glucoside is isolated from Pisum sp. and Lathyrus odoratus [CCD]. Isolated from Pisum species and Lathyrus odoratus [CCD]. Cyanidin 3-rhamnoside 5-glucoside is found in common pea.

   

Peonidin 3-lathyroside

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

C27H31O15+ (595.1662876)


Peonidin 3-lathyroside is found in green vegetables. Peonidin 3-lathyroside is a constituent of leaf and stem cultures of Japanese asparagus (Aralia cordata). Constituent of leaf and stem cultures of Japanese asparagus (Aralia cordata). Peonidin 3-lathyroside is found in green vegetables.

   

Isopeonidin 3-sambubioside

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

C27H31O15+ (595.1662876)


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

   

Peonidin 3-sambubioside

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

C27H31O15+ (595.1662876)


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

   

Ethyl 5-[[[4-(3-methylsulfonylphenyl)phenyl]methyl-(2,4,6-trimethylphenyl)sulfonylamino]methyl]furan-2-carboxylate

Ethyl 5-{[N-({3-methanesulphonyl-[1,1-biphenyl]-4-yl}methyl)2,4,6-trimethylbenzenesulphonamido]methyl}furan-2-carboxylic acid

C31H33NO7S2 (595.1698348000001)


   

Pelargonidin 3-galactoside-5-glucoside

3,5,7,4-Tetrahydroxyflavylium 3-galactoside-5-glucoside

C27H31O15 (595.1662876)


   

Pelargonidin 3-sophoroside

3,5,7,4-Tetrahydroxyflavylium 3-glucosyl- (1->2) -glucoside

C27H31O15+ (595.1662876)


An anthocyanidin 3-O-sophoroside derived from pelargonidin

   

Pelargonidin 3,7-di-glucoside

Pelargonidin 3,7-di-glucoside

C27H31O15 (595.1662876)


   

Luteolinidin 5,7-diglucoside

Luteolinidin 5,7-diglucoside

C27H31O15 (595.1662876)


   

Pelargonidin 3-gentiobioside

Pelargonidin 3-gentiobioside

C27H31O15 (595.1662876)


   

Cyanidin 3-neohesperidoside

3,5,7,3,4-Pentahydroxyflavylium 3-rhamnosyl- (1->2) -glucoside

C27H31O15 (595.1662876)


   

Cyanidin 3-glucoside-7-rhamnoside

3,5,7,3,4-Pentahydroxyflavylium 3-glucoside-7-rhamnoside

C27H31O15 (595.1662876)


   

Peonidin 3-sambubioside

3- [ 2-O- (beta-D-Xylopyranosyl) -beta-D-glucopyranosyloxy ] -5,7-dihydroxy-2- (3-methoxy-4-hydroxyphenyl) -1-benzopyrylium

C27H31O15 (595.1662876)


   

Peonidin 3-(4-arabinosylglucoside)

Peonidin 3-(4-arabinosylglucoside)

C27H31O15 (595.1662876)


   

6-Hydroxypelargonidin 3-rutinoside

2- (4-Hydroxyphenyl) -3- [ [ 6-O- (6-deoxy-alpha-L-mannopyranosyl) -beta-D-glucopyranosyl ] oxy ] -5,6,7-trihydroxy-1-benzopyrylium

C27H31O15 (595.1662876)


   

Cyanidin 3-robinobioside

Cyanidin 3-robinobioside

C27H31O15 (595.1662876)


   

Peonidin 3-[2-(xylosyl)galactoside]

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

C27H31O15 (595.1662876)


   
   
   
   

Pelargonidin-3,5-di-beta-D-glucoside

Pelargonidin-3,5-di-beta-D-glucoside

C27H31O15 (595.1662876)


   

cyanidin-3-O-rutinoside

cyanidin-3-O-rutinoside

C27H31O15 (595.1662876)


   

Pelargonidin-3,5-di-beta-D-glucoside

Pelargonidin-3,5-di-beta-D-glucoside

[C27H31O15]+ (595.1662876)


Annotation level-1

   

cyanidin-3-O-rutinoside

cyanidin-3-O-rutinoside

[C27H31O15]+ (595.1662876)


Annotation level-1

   
   
   

Cyanidin 3-rhamnoside 5-glucoside

2-(3,4-dihydroxyphenyl)-7-hydroxy-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]-1$l^{4}-chromen-1-ylium

C27H31O15 (595.1662876)


   

Obtusin

3-{[4,5-dihydroxy-6-(hydroxymethyl)-3-[(3,4,5-trihydroxyoxan-2-yl)oxy]oxan-2-yl]oxy}-5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-1$l^{4}-chromen-1-ylium

C27H31O15 (595.1662876)


   

Isopeonidin 3-sambubioside

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

C27H31O15 (595.1662876)


   
   

Meralop

Cyanidin 3-O-rutinoside

C27H31O15 (595.1662876)


   
   

Ethyl 5-[[[4-(3-methylsulfonylphenyl)phenyl]methyl-(2,4,6-trimethylphenyl)sulfonylamino]methyl]furan-2-carboxylate

Ethyl 5-[[[4-(3-methylsulfonylphenyl)phenyl]methyl-(2,4,6-trimethylphenyl)sulfonylamino]methyl]furan-2-carboxylate

C31H33NO7S2 (595.1698348000001)


SR9238 is a synthetic liver X receptor (LXR) inverse agonist with IC50s of 214 nM and 43 nM for LXRα and LXRβ, respectively.

   

Peonidin 3-sambubioside

Peonidin 3-sambubioside

C27H31O15+ (595.1662876)


   

2-(3,4-Dihydroxyphenyl)-5,7-dihydroxy-1-benzopyran-1-ium-3-yl 6-O-(6-deoxyhexopyranosyl)hexopyranoside

2-(3,4-Dihydroxyphenyl)-5,7-dihydroxy-1-benzopyran-1-ium-3-yl 6-O-(6-deoxyhexopyranosyl)hexopyranoside

C27H31O15+ (595.1662876)


   

pelargonidin-3,5-di-O-glucoside

pelargonidin-3,5-di-O-glucoside

C27H31O15+ (595.1662876)


   
   

Pelargonin

Pelargonin

C27H31O15 (595.1662876)


An anthocyanidin glycoside that is pelargonidin in which the two phenolic hydrogens at positions 3 and 5 have been replaced by beta-D-glucosyl residues.

   

Cyanidin 3-O-rutinoside

Cyanidin 3-O-rutinoside

C27H31O15 (595.1662876)


A rutinoside consisting of cyanidin having the rutinosyl group at the 3-position.

   

Cyanidin 3-O-robinobioside

Cyanidin 3-O-robinobioside

C27H31O15 (595.1662876)


   

pelargonidin-3,5-diglucoside

pelargonidin-3,5-diglucoside

C27H31O15 (595.1662876)


   

Peonidin 3-(4'-arabinosylglucoside)

Peonidin 3-(4'-arabinosylglucoside)

C27H31O15 (595.1662876)


   

2-(3,4-dihydroxyphenyl)-7-hydroxy-5-{[(2s,3s,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3-{[(2s,3s,4r,5r,6s)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}-1λ⁴-chromen-1-ylium

2-(3,4-dihydroxyphenyl)-7-hydroxy-5-{[(2s,3s,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3-{[(2s,3s,4r,5r,6s)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}-1λ⁴-chromen-1-ylium

[C27H31O15]+ (595.1662876)


   

2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3-{[(2r,5r)-3,4,5-trihydroxy-6-({[(2s,4r,5s)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}methyl)oxan-2-yl]oxy}-1λ⁴-chromen-1-ylium

2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3-{[(2r,5r)-3,4,5-trihydroxy-6-({[(2s,4r,5s)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}methyl)oxan-2-yl]oxy}-1λ⁴-chromen-1-ylium

[C27H31O15]+ (595.1662876)


   

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

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

[C27H31O15]+ (595.1662876)


   

5-hydroxy-2-(4-hydroxyphenyl)-7-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3-{[(2s,3s,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1λ⁴-chromen-1-ylium

5-hydroxy-2-(4-hydroxyphenyl)-7-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3-{[(2s,3s,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1λ⁴-chromen-1-ylium

[C27H31O15]+ (595.1662876)


   

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

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

[C27H31O15]+ (595.1662876)


   

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

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

[C27H31O15]+ (595.1662876)


   

5,6,7-trihydroxy-2-(4-hydroxyphenyl)-3-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-({[(2r,3s,4r,5r,6r)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}methyl)oxan-2-yl]oxy}-1λ⁴-chromen-1-ylium

5,6,7-trihydroxy-2-(4-hydroxyphenyl)-3-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-({[(2r,3s,4r,5r,6r)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}methyl)oxan-2-yl]oxy}-1λ⁴-chromen-1-ylium

[C27H31O15]+ (595.1662876)


   

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

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

[C27H31O15]+ (595.1662876)


   

3-{[(2s,5s)-4,5-dihydroxy-6-(hydroxymethyl)-3-{[(2s,3r,5s)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]oxy}-5,7-dihydroxy-2-(4-hydroxyphenyl)-1λ⁴-chromen-1-ylium

3-{[(2s,5s)-4,5-dihydroxy-6-(hydroxymethyl)-3-{[(2s,3r,5s)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]oxy}-5,7-dihydroxy-2-(4-hydroxyphenyl)-1λ⁴-chromen-1-ylium

[C27H31O15]+ (595.1662876)


   

2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3-{[(2s,3r,4r,5s,6r)-3,4,5-trihydroxy-6-({[(2r,3r,4s,5r,6s)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}methyl)oxan-2-yl]oxy}-1λ⁴-chromen-1-ylium

2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3-{[(2s,3r,4r,5s,6r)-3,4,5-trihydroxy-6-({[(2r,3r,4s,5r,6s)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}methyl)oxan-2-yl]oxy}-1λ⁴-chromen-1-ylium

[C27H31O15]+ (595.1662876)