Name | Value |
---|---|
IZQSVPBOUDKVDZ-UHFFFAOYSA-N | |
C16H12O7 | |
316.058302724 | |
O=C1C(O)=C(OC=2C=C(O)C=C(O)C12)C=3C=CC(O)=C(OC)C3 | |
InChI=1S/C16H12O7/c1-22-11-4-7(2-3-9(11)18)16-15(21)14(20)13-10(19)5-8(17)6-12(13)23-16/h2-6,17-19,21H,1H3 |
Name | Value |
---|---|
M + 0 | |
168 | |
1.32255 | |
negative | |
HCD (NCE 20-30-40%) | |
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) | |
1.8144655265453173 | |
0.44878617814736277 | |
315.0514 | |
[M-H]- | |
1.1848098437423464 ppm | |
3.7327600000480743E-4 Da |