Sinapoylcholine; 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 PM018111
RECORD_TITLE Sinapoylcholine; 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 Sinapoylcholine
CH$ NAME Sinapine
CH$ COMPOUND_CLASS Phenylpropanoid
CH$ COMPOUND_CLASS Phenylpropanoid ester
CH$ COMPOUND_CLASS Choline
CH$ LINK CAS 18696-26-9
CH$ FORMULA C16H24N1O5
CH$ EXACT_MASS 310.1654479
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 310.1472
PK$ NUM_PEAK 28
PK$ PEAK m/z int. rel.int.
[-] m/z
[-] Intensity
[-] Relative intensity
310.1472
0
27
252.0937
0
5
251.5526
0
3
251.0761
0
100
236.0676
0
4
207.0617
0
31
179.0697
0
4
175.035
0
51
164.0462
0
7
163.039
0
6
162.0298
0
3
151.0385
0
3
149.0233
0
6
147.0423
0
38
136.0519
0
3
135.0443
0
4
134.0361
0
4
132.0202
0
5
129.0337
0
9
119.0474
0
46
118.041
0
5
117.0335
0
3
115.0543
0
4
107.0492
0
3
101.0387
0
3
91.0527
0
43
89.0386
0
4
65.0391
0
3

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