3-Methylsulfinyl-n-propyl glucosinolate; 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 PM018120
RECORD_TITLE 3-Methylsulfinyl-n-propyl glucosinolate; 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 3-Methylsulfinyl-n-propyl glucosinolate
CH$ NAME glucoiberin
CH$ COMPOUND_CLASS Glucosinolate
CH$ COMPOUND_CLASS Aliphatic glucosinolate
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 479.9732
PK$ NUM_PEAK 14
PK$ PEAK m/z int. rel.int.
[-] m/z
[-] Intensity
[-] Relative intensity
479.9732
0
100
400.0178
0
98
381.9838
0
6
336.0113
0
16
317.9168
0
29
237.9592
0
84
221.9658
0
14
219.9591
0
12
218.9906
0
8
206.949
0
9
188.9825
0
21
173.9938
0
8
172.9877
0
9
156.9525
0
6

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