Quercetin 3,4'-O-diglucoside; MS2; QIT; M-H; 0.3->2V

2006.5.25 Copyright(C) 2013 Center for Sustainable Resource Science, RIKEN

Record Data

Tag Sub Tag Data
ACCESSION PM002415
RECORD_TITLE Quercetin 3,4'-O-diglucoside; MS2; QIT; M-H; 0.3->2V
DATE 2006.5.25
PUBLICATION Ferreres F, Sousa C, Justin M, Valentao P, Andrade PB, Llorach R, Rodrigues A, Seabra RM, Leitao A.;Phytochemical analysis;2005 Nov-Dec;16(6):451-8.
PUBLICATION PUBMED 16315490 LinkIcon
AUTHORS Ferreres F, et al.
COMMENTS interpretasion of fragment patterns, MSn spectra
COMMENTS 766
COPYRIGHT Copyright(C) 2013 Center for Sustainable Resource Science, RIKEN
STRUCTURE_FILE_NAME N/A
CH$ NAME Quercetin 3,4'-O-diglucoside
CH$ COMPOUND_CLASS Flavonoid
CH$ COMPOUND_CLASS Flavonol
CH$ COMPOUND_CLASS Quercetin glycoside
CH$ LINK CAS 29125-80-2
CH$ FORMULA C27H30O17
CH$ EXACT_MASS 626.15
CH$ SMILES N/A
CH$ INCHI N/A
AC$ ANALYTICAL_CONDITION SOLVENT CH3OH/H2O/HCOOH
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 authentic sample
MS$ FOCUSED_ION ION_TYPE M-H
MS$ FOCUSED_ION PRECURSOR_M/Z 625
PK$ NUM_PEAK 2
PK$ PEAK m/z int. rel.int.
[-] m/z
[-] Intensity
[-] Relative intensity
463
0
100
301
0
33

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