Exact Mass: 595.1842

Exact Mass Matches: 595.1842

Found 136 metabolites which its exact mass value is equals to given mass value 595.1842, within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error 0.01 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]+ (595.1663)

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]+ (595.1663)

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

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+ (595.1663)

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.

Hyacinthin

(1Z)-[(6-{[2-(3,4-dihydroxyphenyl)-7-hydroxy-5-oxo-5H-chromen-3-yl]oxy}-3,4,5-trihydroxyoxan-2-yl)methyl][(2E)-1-hydroxy-3-(4-hydroxyphenyl)prop-2-en-1-ylidene]oxidanium

C30H27O13 (595.1452)

Isolated from Hyacinthus orientalis, Ribes grossularia (European gooseberry) and grapes [CCD]. Hyacinthin is found in many foods, some of which are highbush blueberry, summer grape, common grape, and fruits. Hyacinthin is found in black chokeberry. Hyacinthin is isolated from Hyacinthus orientalis, Ribes grossularia (European gooseberry) and grapes [CCD].

Acrimarine J

7,11-dihydroxy-6-methoxy-12-[1-(7-methoxy-2-oxo-2H-chromen-6-yl)-3-methylbut-2-en-1-yl]-2,2,5-trimethyl-5,10-dihydro-2H-1-oxa-5-azatetraphen-10-one

C35H33NO8 (595.2206)

Acrimarine J is found in citrus. Acrimarine J is an alkaloid from roots of Yalaha [several hybrid seedlings resulting from a cross of Duncan grapefruit (Citrus paradisii) x Dancy tangerine (Citrus tangerina)]. Alkaloid from roots of Yalaha [several hybrid seedlings resulting from a cross of Duncan grapefruit (Citrus paradisii) x Dancy tangerine (Citrus tangerina)]. Acrimarine J is found in citrus.

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+ (595.1663)

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+ (595.1663)

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.

3-Caffeoylpelargonidin 5-glucoside

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

C30H27O13+ (595.1452)

3-Caffeoylpelargonidin 5-glucoside is found in root vegetables. 3-Caffeoylpelargonidin 5-glucoside is isolated from red radish (Raphanus sp.). Isolated from red radish (Raphanus species). 3-Caffeoylpelargonidin 5-glucoside is found in root 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+ (595.1663)

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+ (595.1663)

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

2-Pyrrolino-dox

10-{[4-(2,3-dihydro-1H-pyrrol-1-yl)-5-hydroxy-6-methyloxan-2-yl]oxy}-6,8,11-trihydroxy-8-(2-hydroxyacetyl)-1-methoxy-5,7,8,9,10,12-hexahydrotetracene-5,12-dione

C31H33NO11 (595.2054)

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 (595.1698)

Cyanidin 3-galactoside p-coumaric acid ester

2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3-{[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-({[(2E)-3-(4-hydroxyphenyl)prop-2-enoyl]oxy}methyl)oxan-2-yl]oxy}-1λ⁴-chromen-1-ylium

C30H27O13+ (595.1452)

Cyanidin 3-galactoside p-coumaric acid ester is practically insoluble (in water) and a very weakly acidic compound (based on its pKa). Cyanidin 3-galactoside p-coumaric acid ester can be found in corn, which makes cyanidin 3-galactoside p-coumaric acid ester a potential biomarker for the consumption of this food product.