Qurcetin-3-glucoside-7-sophoroside; MS2; QIT; M-H; 0.3->2V

2006.6.1 Copyright(C) 2013 Center for Sustainable Resource Science, RIKEN

Record Data

Tag Sub Tag Data
ACCESSION PM002511
RECORD_TITLE Qurcetin-3-glucoside-7-sophoroside; MS2; QIT; M-H; 0.3->2V
DATE 2006.6.1
PUBLICATION Vallejo F, Tomas-Barberan FA, Ferreres F.;Journal of Chromatography A;2004 Oct 29;1054(1-2):181-93.
PUBLICATION PUBMED 15553143 LinkIcon
AUTHORS Vallejo F, Tomas-Barberan FA, & Ferreres F
COMMENTS interpretasion of fragment patterns, MSn spectra
COMMENTS 767
COPYRIGHT Copyright(C) 2013 Center for Sustainable Resource Science, RIKEN
STRUCTURE_FILE_NAME N/A
CH$ NAME Qurcetin-3-glucoside-7-sophoroside
CH$ COMPOUND_CLASS Flavonoid
CH$ COMPOUND_CLASS Flavonol
CH$ COMPOUND_CLASS Quercetin glycoside
CH$ LINK CAS 144396-08-7
CH$ FORMULA C33H40O22
CH$ EXACT_MASS 788.20
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 Brassica oleracea L. var. italica
MS$ FOCUSED_ION ION_TYPE M-H
MS$ FOCUSED_ION PRECURSOR_M/Z 787
PK$ NUM_PEAK 3
PK$ PEAK m/z int. rel.int.
[-] m/z
[-] Intensity
[-] Relative intensity
625
0
26
463
0
100
301
0
14

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