Name | Value |
---|---|
InChI=1S/C13H8O2/c14-13-9-5-1-3-7-11(9)15-12-8-4-2-6-10(12)13/h1-8H | |
JNELGWHKGNBSMD-UHFFFAOYSA-N | |
C13H8O2 | |
196.052429496 | |
O=C1C=2C=CC=CC2OC=3C=CC=CC31 |
External Identifier | Value |
---|---|
90-47-1 | |
37647 | |
7020 | |
6753 |
Name | Value |
---|---|
LU019805 | |
2020.08.19 | |
Kondić, T.;Singh, R.;Elapavalore, A.;Schymanski, E. | |
CC0 | |
Copyright © 2019 by Environmental Cheminformatics, LCSB, University of Luxembourg, Luxembourg | |
196.0524 | |
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 | |
17.885 min | |
0.1% formic acid | |
methanol | |
1460592.75 | |
loess on assigned fragments and MS1 | |
Peaks with additional N2/O included | |
RMassBank 2.99.2 | |
positive | |
1.5342534630455937 | |
0.5121463879098349 | |
197.0597 | |
[M+H]+ | |
3.54966540601634 ppm | |
-6.994960000099582E-4 Da |