Isorhamnetin 3-O-rutinoside; MS2; QqQ; M-H; n.d.

2009.1.6 Copyright(C) 2013 Center for Sustainable Resource Science, RIKEN

Record Data

Tag Sub Tag Data
ACCESSION PM015340
RECORD_TITLE Isorhamnetin 3-O-rutinoside; MS2; QqQ; M-H; n.d.
DATE 2009.1.6
PUBLICATION Tourino S, Fuguet E, Jauregui O, Saura-Calixto F, Cascante M, Torres JL.;Rapid Communications in Mass Spectrometry;2008 Nov;22(22):3489-500.
PUBLICATION PUBMED 18853405 LinkIcon
AUTHORS Tourino S, et al.
COMMENTS N/A
COMMENTS N/D
COPYRIGHT Copyright(C) 2013 Center for Sustainable Resource Science, RIKEN
STRUCTURE_FILE_NAME N/A
CH$ NAME Isorhamnetin 3-O-rutinoside
CH$ NAME 4H-1-Benzopyran-4-one, 3-[[6-O-(6-deoxy-.alpha.-L-mannopyranosyl)-.beta.-D-glucopyranosyl]oxy]-5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-
CH$ COMPOUND_CLASS Flavonoid
CH$ COMPOUND_CLASS Flavonol
CH$ COMPOUND_CLASS Isorhamnetin glycoside
CH$ LINK CAS 604-80-8
CH$ FORMULA C28H32O16
CH$ EXACT_MASS 624.17
CH$ SMILES N/A
CH$ INCHI N/A
AC$ ANALYTICAL_CONDITION SOLVENT H2O/CH3CN/HCOOH
AC$ ANALYTICAL_CONDITION MS_TYPE QqQ
AC$ ANALYTICAL_CONDITION MODEL API 3000
AC$ ANALYTICAL_CONDITION COLLISION_ENERGY n.d.
AC$ ANALYTICAL_CONDITION IONIZATION ESI
AC$ ANALYTICAL_CONDITION MODE negative
SP$ SAMPLE Vitis vinifera
MS$ FOCUSED_ION ION_TYPE M-H
MS$ FOCUSED_ION PRECURSOR_M/Z 623
PK$ NUM_PEAK 2
PK$ PEAK m/z int. rel.int.
[-] m/z
[-] Intensity
[-] Relative intensity
623
0
50
315
0
100

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