Chlorogenic acid; MS2; QIT; M-H; n.d.

2008.4.17 Copyright(C) 2013 Center for Sustainable Resource Science, RIKEN

Record Data

Tag Sub Tag Data
ACCESSION PM006104
RECORD_TITLE Chlorogenic acid; MS2; QIT; M-H; n.d.
DATE 2008.4.17
PUBLICATION Ma C, Xiao SY, Li ZG, Wang W, Du LJ.;Journal of Chromatography A;2007 Sep 21;1165(1-2):39-44. Epub 2007 Aug 1.
PUBLICATION PUBMED 17698075 LinkIcon
AUTHORS Ma C, Xiao SY, Li ZG, Wang W, & Du LJ
COMMENTS N/A
COMMENTS N/D
COPYRIGHT Copyright(C) 2013 Center for Sustainable Resource Science, RIKEN
STRUCTURE_FILE_NAME N/A
CH$ NAME Chlorogenic acid
CH$ COMPOUND_CLASS Phenylpropanoid
CH$ COMPOUND_CLASS Phenylpropanoid ester
CH$ COMPOUND_CLASS Quinic acid
CH$ LINK CAS 202650-88-2
CH$ FORMULA C16H18O9
CH$ EXACT_MASS 354.10
CH$ SMILES N/A
CH$ INCHI N/A
AC$ ANALYTICAL_CONDITION SOLVENT N/A
AC$ ANALYTICAL_CONDITION MS_TYPE QIT
AC$ ANALYTICAL_CONDITION MODEL XCT
AC$ ANALYTICAL_CONDITION COLLISION_ENERGY n.d.
AC$ ANALYTICAL_CONDITION IONIZATION ESI
AC$ ANALYTICAL_CONDITION MODE negative
SP$ SAMPLE Ananas comosus L
MS$ FOCUSED_ION ION_TYPE M-H
MS$ FOCUSED_ION PRECURSOR_M/Z 353
PK$ NUM_PEAK 3
PK$ PEAK m/z int. rel.int.
[-] m/z
[-] Intensity
[-] Relative intensity
179
0
80
135
0
38
191
0
37

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