Name | Value |
---|---|
IWHLYPDWHHPVAA-UHFFFAOYSA-N | |
C6H12O3 | |
132.07864424399997 | |
O=C(O)CCCCCO | |
InChI=1S/C6H12O3/c7-5-3-1-2-4-6(8)9/h7H,1-5H2,(H,8,9) |
Name | Value |
---|---|
MS2 | |
M + 0 | |
negative | |
HCD (NCE 20-30-40%) | |
1.345583 | |
163 | |
LC-ESI-QFT | |
Thermo Q Exactive HF | |
Michael Sa and Megan Showalter | |
Waters Acquity UPLC BEH Amide column (2.1 x 150mm: 1.7µm) | |
1.0075944268824872 | |
0.4375926995915337 | |
131.0703 | |
[M-H]- | |
8.150160638841733 ppm | |
-0.0010682439999811777 Da |