7-Methylthioheptylglucosinolate; MS2; QIT; M+H; 25

2008.7.7 Copyright(C) 2013 Center for Sustainable Resource Science, RIKEN

Record Data

Tag Sub Tag Data
ACCESSION PM008060
RECORD_TITLE 7-Methylthioheptylglucosinolate; MS2; QIT; M+H; 25
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 LinkIcon
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 7-Methylthioheptylglucosinolate
CH$ COMPOUND_CLASS Glucosinolate
CH$ COMPOUND_CLASS Aliphatic glucosinolate
CH$ LINK CAS 80667-67-0
CH$ FORMULA C15H29N1O9S3
CH$ EXACT_MASS 463.10
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 25
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 384
PK$ NUM_PEAK 9
PK$ PEAK m/z int. rel.int.
[-] m/z
[-] Intensity
[-] Relative intensity
204.087
0
7
188.114
0
2
156.085
0
11
145.056
0
10
127.039
0
5
124.112
0
100
107.087
0
22
85.03
0
14
79.056
0
18

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