Name | Value |
---|---|
InChI=1S/C15H10O2/c16-13-10-15(11-6-2-1-3-7-11)17-14-9-5-4-8-12(13)14/h1-10H | |
VHBFFQKBGNRLFZ-UHFFFAOYSA-N | |
C15H10O2 | |
222.06807956 | |
O=C1C=C(OC=2C=CC=CC12)C=3C=CC=CC3 |
External Identifier | Value |
---|---|
525-82-6 | |
42491 | |
C15608 | |
LMPK12110097 | |
10680 | |
10230 |
Name | Value |
---|---|
positive | |
LU082401 | |
2020.08.19 | |
Kondić, T.;Singh, R.;Elapavalore, A.;Schymanski, E. | |
CC0 | |
Copyright © 2019 by Environmental Cheminformatics, LCSB, University of Luxembourg, Luxembourg | |
222.0681 | |
Q Exactive Orbitrap (Thermo Scientific) | |
LC-ESI-QFT | |
MS2 | |
ESI | |
HCD | |
15 | |
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 | |
17.855 min | |
0.1% formic acid | |
methanol | |
34125522.5 | |
loess on assigned fragments and MS1 | |
Peaks with additional N2/O included | |
RMassBank 2.99.2 | |
0.00825612711907036 | |
0.011911073651631693 | |
223.0754 | |
[M+H]+ | |
2.9118405704949217 ppm | |
-6.495599999993829E-4 Da |