6-Methylthio-n-hexyl 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 PM018004
RECORD_TITLE 6-Methylthio-n-hexyl 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 6-Methylthio-n-hexyl glucosinolate
CH$ NAME glucolesquerellin
CH$ COMPOUND_CLASS Glucosinolate
CH$ COMPOUND_CLASS Aliphatic glucosinolate
CH$ LINK CAS 74542-17-9
CH$ FORMULA C14H27N1O9S3
CH$ EXACT_MASS 449.0847945
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 negative
SP$ SAMPLE Arabidopsis thaliana
MS$ FOCUSED_ION ION_TYPE M-H
MS$ FOCUSED_ION PRECURSOR_M/Z 448.0753
PK$ NUM_PEAK 6
PK$ PEAK m/z int. rel.int.
[-] m/z
[-] Intensity
[-] Relative intensity
448.0753
0
100
96.959
0
80
95.9513
0
39
80.9644
0
3
79.9554
0
8
74.9919
0
22

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