Name | Value |
---|---|
423.065 | |
C15H21NO9S2 | |
423.065773252 | |
O=S(=O)(O)ON=C(SC1OC(CO)C(O)C(O)C1O)CCC=2C=CC=CC2 | |
InChI=1S/C15H21NO9S2/c17-8-10-12(18)13(19)14(20)15(24-10)26-11(16-25-27(21,22)23)7-6-9-4-2-1-3-5-9/h1-5,10,12-15,17-20H,6-8H2,(H,21,22,23)/b16-11+/t10-,12-,13+,14-,15+/m1/s1 | |
CKIJIGYDFNXSET-MFIRQCQASA-N |
External Identifier | Value |
---|---|
499-30-9 | |
C08417 | |
9548618 |
Name | Value |
---|---|
PS107912 | |
Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN | |
Copyright(C) 2008 Plant Science Center, RIKEN | |
Sawada et al Widely targeted metabolomics based on large-scale MS/MS data for elucidating metabolite accumulation patterns in plants. Plant Cell Physiol(2009) 50:37-47:doi:10.1093/pcp/pcn183 | |
TQD, Waters | |
Flow-injection QqQ/MS | |
ESI | |
Q | |
Q | |
LOW-ENERGY CID | |
60 | |
Q | |
CENTROID | |
[M-H]- | |
MS2 | |
negative | |
1.4090925690536313 | |
0.7864295365832289 | |
422.37 | |
[M-H]- | |
737.5115372777645 ppm | |
0.31150274800000943 Da |