Name | Value |
---|---|
InChI=1S/C15H10O5/c1-6-2-8-12(10(17)3-6)15(20)13-9(14(8)19)4-7(16)5-11(13)18/h2-5,16-18H,1H3 | |
RHMXXJGYXNZAPX-UHFFFAOYSA-N | |
C15H10O5 | |
270.05282342 | |
O=C1C=2C=C(O)C=C(O)C2C(=O)C3=C(O)C=C(C=C13)C |
External Identifier | Value |
---|---|
50-35-1 | |
42223 | |
C10343 | |
LMPK13040008 | |
3220 | |
3107 |
Name | Value |
---|---|
LU099903 | |
2020.08.19 | |
Kondić, T.;Singh, R.;Elapavalore, A.;Schymanski, E. | |
CC0 | |
Copyright © 2019 by Environmental Cheminformatics, LCSB, University of Luxembourg, Luxembourg | |
270.0528 | |
Q Exactive Orbitrap (Thermo Scientific) | |
LC-ESI-QFT | |
MS2 | |
ESI | |
HCD | |
45 | |
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 | |
16.458 min | |
0.1% formic acid | |
methanol | |
2964780.25 | |
loess on assigned fragments and MS1 | |
Peaks with additional N2/O included | |
RMassBank 2.99.2 | |
positive | |
0.522345125795134 | |
0.1807190110988827 | |
271.0601 | |
[M+H]+ | |
2.5581780572080053 ppm | |
-6.934200000046076E-4 Da |