3-{4-[2-Hydroxy-2-(4-hexosyloxy-3-methoxyphenyl)-1-hydroxymethylethoxy]-3-methoxy-phenyl}acryloylcholine; MS2; QIT; M+Na; 15->55V

2008.7.7 Copyright(C) 2013 Center for Sustainable Resource Science, RIKEN

Record Data

Tag Sub Tag Data
ACCESSION PM008051
RECORD_TITLE 3-{4-[2-Hydroxy-2-(4-hexosyloxy-3-methoxyphenyl)-1-hydroxymethylethoxy]-3-methoxy-phenyl}acryloylcholine; MS2; QIT; M+Na; 15->55V
DATE 2008.7.7
PUBLICATION Bottcher C, von Roepenack-Lahaye E, Schmidt J, Schmotz C, Neumann S, Scheel D, Clemens S.;Plant Physiology;2008 Aug;147(4):2107-20. Epub 2008 Jun 13.
PUBLICATION PUBMED 18552234 LinkIcon
AUTHORS Bottcher C, 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 3-{4-[2-Hydroxy-2-(4-hexosyloxy-3-methoxyphenyl)-1-hydroxymethylethoxy]-3-methoxy-phenyl}acryloylcholine
CH$ COMPOUND_CLASS Phenylpropanoid
CH$ COMPOUND_CLASS Phenylpropanoid ester
CH$ COMPOUND_CLASS Choline
CH$ LINK CAS N/A
CH$ FORMULA N/A
CH$ EXACT_MASS no data
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 API QSTAR
AC$ ANALYTICAL_CONDITION COLLISION_ENERGY 15->55V
AC$ ANALYTICAL_CONDITION IONIZATION ESI
AC$ ANALYTICAL_CONDITION MODE positive
SP$ SAMPLE Arabidopsis thaliana
MS$ FOCUSED_ION ION_TYPE N/A
MS$ FOCUSED_ION PRECURSOR_M/Z 638.274
PK$ NUM_PEAK 3
PK$ PEAK m/z int. rel.int.
[-] m/z
[-] Intensity
[-] Relative intensity
638.274
0
100
579.199
0
14
221.075
0
8

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