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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
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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. ![]() ![]() ![]()
638.274
0
100
579.199
0
14
221.075
0
8
|