Caffeoyl-hexoside; MS2; QIT; M-H; 0.3->2V

2008.10.22 Copyright(C) 2013 Center for Sustainable Resource Science, RIKEN

Record Data

Tag Sub Tag Data
ACCESSION PM009201
RECORD_TITLE Caffeoyl-hexoside; MS2; QIT; M-H; 0.3->2V
DATE 2008.10.22
PUBLICATION Ferreres F, Ribeiro V, Izquierdo AG, Rodrigues MA, Seabra RM, Andrade PB, Valentao P.;Journal of Agricultural and Food Chemistry;2006 Aug 9;54(16):5782-9.
PUBLICATION PUBMED 16881678 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 Caffeoyl-hexoside
CH$ COMPOUND_CLASS Phenylpropanoid
CH$ COMPOUND_CLASS Phenylpropanoid glycoside
CH$ COMPOUND_CLASS Caffeoyl glucoside
CH$ LINK CAS 905845-99-0
CH$ FORMULA C15H18O9
CH$ EXACT_MASS 342.10
CH$ SMILES N/A
CH$ INCHI N/A
AC$ ANALYTICAL_CONDITION SOLVENT H2O/CH3OH/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 Rumex induratus
MS$ FOCUSED_ION ION_TYPE M-H
MS$ FOCUSED_ION PRECURSOR_M/Z 341
PK$ NUM_PEAK 2
PK$ PEAK m/z int. rel.int.
[-] m/z
[-] Intensity
[-] Relative intensity
179
0
100
161
0
42

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