Guaiasylglycerol-beta-feruloyllcholine ether isomer; MS2; Q-TOF; M+H; 15->55V

2011.4.27 Copyright(C) 2013 Center for Sustainable Resource Science, RIKEN

Record Data

Tag Sub Tag Data
ACCESSION PM018099
RECORD_TITLE Guaiasylglycerol-beta-feruloyllcholine ether isomer; MS2; Q-TOF; M+H; 15->55V
DATE 2011.4.27
PUBLICATION Matsuda F, Hirai MY, Sasaki E, Akiyama K, Yonekura-Sakakibara K, Provart NJ, Sakurai T, Shimada Y, Saito K; Plant Physiol;2010 152:566-578.
PUBLICATION PUBMED 20023150 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 Guaiasylglycerol-beta-feruloyllcholine ether isomer
CH$ NAME FC(5-b)G
CH$ COMPOUND_CLASS Phenylpropanoid
CH$ COMPOUND_CLASS Lignan
CH$ COMPOUND_CLASS Feruroylcholine-guaiasyl ester
CH$ LINK CAS N/A
CH$ FORMULA N/A
CH$ EXACT_MASS 0
CH$ SMILES N/A
CH$ INCHI N/A
AC$ ANALYTICAL_CONDITION SOLVENT H2O/CH3CN/HCOOH
AC$ ANALYTICAL_CONDITION MS_TYPE Q-TOF
AC$ ANALYTICAL_CONDITION MODEL QTOF Premier
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 M+H
MS$ FOCUSED_ION PRECURSOR_M/Z 458.2108
PK$ NUM_PEAK 33
PK$ PEAK m/z int. rel.int.
[-] m/z
[-] Intensity
[-] Relative intensity
458.2108
0
100
416.7675
0
4
399.1426
0
76
381.1359
0
77
369.1426
0
29
366.1148
0
4
349.104
0
5
311.0961
0
4
309.1173
0
5
305.1149
0
5
294.0832
0
4
293.0876
0
7
291.0915
0
4
277.1244
0
4
277.0906
0
8
273.0917
0
5
263.0872
0
4
262.0814
0
4
261.0723
0
5
248.0789
0
4
247.0888
0
5
246.0767
0
4
245.0975
0
7
243.0829
0
5
233.0743
0
5
219.076
0
5
218.1111
0
4
205.0599
0
7
175.0803
0
4
162.0554
0
4
147.0498
0
4
137.0491
0
4
79.0131
0
5

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