Vanillic acid hexoside ; MS2; QIT; M-H; n.d.

2008.4.3 Copyright(C) 2013 Center for Sustainable Resource Science, RIKEN

Record Data

Tag Sub Tag Data
ACCESSION PM004309
RECORD_TITLE Vanillic acid hexoside ; MS2; QIT; M-H; n.d.
DATE 2008.4.3
PUBLICATION Fang N, Yu S, Prior RL.;Journal of Agricultural and Food Chemistry;2002 Jun 5;50(12):3579-85.
PUBLICATION PUBMED 12033832 LinkIcon
AUTHORS Fang N, Yu S, & Prior RL
COMMENTS N/A
COMMENTS N/D
COPYRIGHT Copyright(C) 2013 Center for Sustainable Resource Science, RIKEN
STRUCTURE_FILE_NAME N/A
CH$ NAME Vanillic acid hexoside
CH$ COMPOUND_CLASS Other
CH$ COMPOUND_CLASS Benzoic acid
CH$ COMPOUND_CLASS Vanillin
CH$ LINK CAS 121-34-6
CH$ FORMULA C8H8O4
CH$ EXACT_MASS 168.04
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 Esquire
AC$ ANALYTICAL_CONDITION COLLISION_ENERGY n.d.
AC$ ANALYTICAL_CONDITION IONIZATION ESI
AC$ ANALYTICAL_CONDITION MODE negative
SP$ SAMPLE Prunus domestica
MS$ FOCUSED_ION ION_TYPE M-H
MS$ FOCUSED_ION PRECURSOR_M/Z 167
PK$ NUM_PEAK 3
PK$ PEAK m/z int. rel.int.
[-] m/z
[-] Intensity
[-] Relative intensity
152
0
100
123
0
67
108
0
33

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