4-Feruloylquinic acids; MS2; QqQ; M-H; 60eV

2009.10.29 Copyright(C) 2013 Center for Sustainable Resource Science, RIKEN

Record Data

Tag Sub Tag Data
ACCESSION PM018626
RECORD_TITLE 4-Feruloylquinic acids; MS2; QqQ; M-H; 60eV
DATE 2009.10.29
PUBLICATION Alonso-Salces RM, Guillou C, Berrueta LA. Rapid Commun Mass Spectrom. 2009 Feb;23(3):363-83.
PUBLICATION PUBMED 19127547 LinkIcon
AUTHORS F. Matsuda and M. Suzuki.
COMMENTS Obtained from extract mixture
COMMENTS N/D
COPYRIGHT Copyright(C) 2013 Center for Sustainable Resource Science, RIKEN
STRUCTURE_FILE_NAME N/A
CH$ NAME 4-Feruloylquinic acids
CH$ NAME Cyclohexanecarboxylic acid, 1,3,5-trihydroxy-4-[[3-(4-hydroxy-3-methoxyphenyl)-1-oxo-2-propen-1-yl]oxy]-, (1.alpha.,3R,4.alpha.,5R)-
CH$ COMPOUND_CLASS Phenylpropanoid
CH$ COMPOUND_CLASS Phenylpropanoid ester
CH$ COMPOUND_CLASS Quinic acid
CH$ LINK CAS 2613-86-7
CH$ FORMULA C17H20N0O9
CH$ EXACT_MASS 368.11
CH$ SMILES N/A
CH$ INCHI N/A
AC$ ANALYTICAL_CONDITION SOLVENT H2O/CH3OH/CH3COOH
AC$ ANALYTICAL_CONDITION MS_TYPE QqQ
AC$ ANALYTICAL_CONDITION MODEL Micromass Quattromicro
AC$ ANALYTICAL_CONDITION COLLISION_ENERGY 60eV
AC$ ANALYTICAL_CONDITION IONIZATION ESI
AC$ ANALYTICAL_CONDITION MODE negative
SP$ SAMPLE Green coffee beans of Coffea arabica (Arabica) and Coffea canephora (Robusta)
MS$ FOCUSED_ION ION_TYPE M-H
MS$ FOCUSED_ION PRECURSOR_M/Z 366.8
PK$ NUM_PEAK 6
PK$ PEAK m/z int. rel.int.
[-] m/z
[-] Intensity
[-] Relative intensity
173
0
10
133.8
0
31
92.7
0
100
88.8
0
21
66.6
0
19
58.5
0
9

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