Name | Value |
---|---|
DIVLBIVDYADZPL-UHFFFAOYSA-N | |
C13H16O4 | |
236.104858992 | |
O=C(O)C(C1=CC=C(C=C1)CC(C(=O)O)C)C | |
InChI=1S/C13H16O4/c1-8(12(14)15)7-10-3-5-11(6-4-10)9(2)13(16)17/h3-6,8-9H,7H2,1-2H3,(H,14,15)(H,16,17) |
Name | Value |
---|---|
M + 0 | |
176 | |
negative | |
HCD (NCE 20-30-40%) | |
1.456567 | |
LC-ESI-QFT | |
Thermo Q Exactive HF | |
Michael Sa and Megan Showalter | |
MS2 | |
Waters Acquity UPLC BEH Amide column (2.1 x 150mm: 1.7µm) | |
0.5617457259208297 | |
0.2128584777666521 | |
235.0974 | |
[M-H]- | |
0.7783667536113822 ppm | |
-1.8299200002047655E-4 Da |