Name | Value |
---|---|
InChI=1S/C15H12O4/c16-14(17)12-8-4-5-9-13(12)15(18)19-10-11-6-2-1-3-7-11/h1-9H,10H2,(H,16,17) | |
XIKIUQUXDNHBFR-UHFFFAOYSA-N | |
C15H12O4 | |
256.073558864 | |
O=C(O)C=1C=CC=CC1C(=O)OCC=2C=CC=CC2 |
External Identifier | Value |
---|---|
2528-16-7 | |
31736 | |
29430 |
Name | Value |
---|---|
LU072955 | |
2020.08.19 | |
Kondić, T.;Singh, R.;Elapavalore, A.;Schymanski, E. | |
CC0 | |
Copyright © 2019 by Environmental Cheminformatics, LCSB, University of Luxembourg, Luxembourg | |
256.0736 | |
Q Exactive Orbitrap (Thermo Scientific) | |
LC-ESI-QFT | |
MS2 | |
ESI | |
HCD | |
75 | |
17500 | |
Acquity BEH C18 1.7um, 2.1x150mm (Waters) | |
90/10 at 0-2 min, 0/100 at 15-20 min, 90/10 at 20.1-30 min | |
0.20 mL/min | |
16.658 min | |
0.1% formic acid | |
methanol | |
23171610.11523 | |
loess on assigned fragments and MS1 | |
Peaks with additional N2/O included | |
RMassBank 2.99.2 | |
negative | |
1.718646077305323 | |
0.670050686305254 | |
255.0663 | |
[M-H]- | |
0.06718253252881123 ppm | |
1.7135999996753526E-5 Da |