ReSpect |
ACCESSION
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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
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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. ![]() ![]() ![]()
448.0753
0
100
96.959
0
80
95.9513
0
39
80.9644
0
3
79.9554
0
8
74.9919
0
22
|