Quercetin 3-O-(caffeoyl)sophoroside-7-O-glucoside (isomer); MS2; QIT; M-H; 0.3->2V

2008.10.23 Copyright(C) 2013 Center for Sustainable Resource Science, RIKEN

Record Data

Tag Sub Tag Data
ACCESSION PM009507
RECORD_TITLE Quercetin 3-O-(caffeoyl)sophoroside-7-O-glucoside (isomer); MS2; QIT; M-H; 0.3->2V
DATE 2008.10.23
PUBLICATION Ferreres F, Valentao P, Pereira JA, Bento A, Noites A, Seabra RM, Andrade PB.;Journal of Agricultural and Food Chemistry;2008 Feb 13;56(3):844-53. Epub 2008 Jan 4.
PUBLICATION PUBMED 18173245 LinkIcon
AUTHORS Ferreres F, 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 Quercetin 3-O-(caffeoyl)sophoroside-7-O-glucoside (isomer)
CH$ COMPOUND_CLASS Flavonoid
CH$ COMPOUND_CLASS Flavonol
CH$ COMPOUND_CLASS Quercetin glycoside
CH$ LINK CAS N/A
CH$ FORMULA C42H46O25
CH$ EXACT_MASS 950.23
CH$ SMILES N/A
CH$ INCHI N/A
AC$ ANALYTICAL_CONDITION SOLVENT H2O/CH3OH/CH3COOH
AC$ ANALYTICAL_CONDITION MS_TYPE QIT
AC$ ANALYTICAL_CONDITION MODEL G2445A
AC$ ANALYTICAL_CONDITION COLLISION_ENERGY 0.3->2V
AC$ ANALYTICAL_CONDITION IONIZATION ESI
AC$ ANALYTICAL_CONDITION MODE negative
SP$ SAMPLE Pieris brassicae
MS$ FOCUSED_ION ION_TYPE M-H
MS$ FOCUSED_ION PRECURSOR_M/Z 949
PK$ NUM_PEAK 2
PK$ PEAK m/z int. rel.int.
[-] m/z
[-] Intensity
[-] Relative intensity
787
0
100
625
0
50

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