Name | Value |
---|---|
160.073 | |
C7H12O4 | |
160.073558864 | |
O=C(O)CCCCCC(=O)O | |
InChI=1S/C7H12O4/c8-6(9)4-2-1-3-5-7(10)11/h1-5H2,(H,8,9)(H,10,11) | |
WLJVNTCWHIRURA-UHFFFAOYSA-N |
External Identifier | Value |
---|---|
111-16-0 | |
C02656 | |
385 |
Name | Value |
---|---|
PS064707 | |
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 | |
10 | |
Q | |
CENTROID | |
[M-H]- | |
MS2 | |
negative | |
0.18495988619856618 | |
0.26684071058205844 | |
159.13 | |
[M-H]- | |
400.40932570841295 ppm | |
0.06371713599997975 Da |