Caffeic acid O-glucoside; MS2; QIT; M-H; 100%

2008.3.6 Copyright(C) 2013 Center for Sustainable Resource Science, RIKEN

Record Data

Tag Sub Tag Data
ACCESSION PM003718
RECORD_TITLE Caffeic acid O-glucoside; MS2; QIT; M-H; 100%
DATE 2008.3.6
PUBLICATION Pussa T, Floren J, Kuldkepp P, Raal A.;Journal of Agricultural and Food Chemistry;2006 Oct 4;54(20):7488-94.
PUBLICATION PUBMED 17002412 LinkIcon
AUTHORS Pussa T, Floren J, Kuldkepp P, & Raal A
COMMENTS N/A
COMMENTS N/D
COPYRIGHT Copyright(C) 2013 Center for Sustainable Resource Science, RIKEN
STRUCTURE_FILE_NAME N/A
CH$ NAME Caffeic acid O-glucoside
CH$ COMPOUND_CLASS Phenylpropanoid
CH$ COMPOUND_CLASS Phenylpropanoid glycoside
CH$ COMPOUND_CLASS Caffeoyl glucoside
CH$ LINK CAS 24959-81-7
CH$ FORMULA C15H18O9
CH$ EXACT_MASS 342.10
CH$ SMILES N/A
CH$ INCHI N/A
AC$ ANALYTICAL_CONDITION SOLVENT H2O/CH3CN/HCOOH
AC$ ANALYTICAL_CONDITION MS_TYPE QIT
AC$ ANALYTICAL_CONDITION MODEL XCT
AC$ ANALYTICAL_CONDITION COLLISION_ENERGY 100%
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 341
PK$ NUM_PEAK 6
PK$ PEAK m/z int. rel.int.
[-] m/z
[-] Intensity
[-] Relative intensity
179
0
100
161
0
18
143
0
13
149
0
3
131
0
3
125
0
2

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