Petunidin 3-O-(6-O-p-coumaroyl)glucoside; MS2; QqQ; M+; n.d.

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

Record Data

Tag Sub Tag Data
ACCESSION PM015362
RECORD_TITLE Petunidin 3-O-(6-O-p-coumaroyl)glucoside; MS2; QqQ; M+; 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 Petunidin 3-O-(6-O-p-coumaroyl)glucoside
CH$ COMPOUND_CLASS Flavonoid
CH$ COMPOUND_CLASS Anthocyanin
CH$ COMPOUND_CLASS Petunidin glycoside
CH$ LINK CAS N/A
CH$ FORMULA C31H29O14
CH$ EXACT_MASS 625.16
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 positive
SP$ SAMPLE Vitis vinifera
MS$ FOCUSED_ION ION_TYPE M+
MS$ FOCUSED_ION PRECURSOR_M/Z 625
PK$ NUM_PEAK 2
PK$ PEAK m/z int. rel.int.
[-] m/z
[-] Intensity
[-] Relative intensity
625
0
50
317
0
100

RIKEN Center for Sustainable Resource Science : Metabolomics Research Group, LC-MS Branch  |  Website policy  Creative Commons License   |   PRIMe