Name | Value |
---|---|
InChI=1S/C13H12O2/c14-12-7-3-1-5-10(12)9-11-6-2-4-8-13(11)15/h1-8,14-15H,9H2 | |
MQCPOLNSJCWPGT-UHFFFAOYSA-N | |
C13H12O2 | |
200.083729624 | |
OC=1C=CC=CC1CC=2C=CC=CC2O |
External Identifier | Value |
---|---|
1333-16-0 | |
34207 | |
C14747 | |
75575 | |
68100 |
Name | Value |
---|---|
HCD | |
LU086054 | |
2020.08.19 | |
Kondić, T.;Singh, R.;Elapavalore, A.;Schymanski, E. | |
CC0 | |
Copyright © 2019 by Environmental Cheminformatics, LCSB, University of Luxembourg, Luxembourg | |
200.0837 | |
Q Exactive Orbitrap (Thermo Scientific) | |
LC-ESI-QFT | |
MS2 | |
ESI | |
60 | |
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 | |
16.746 min | |
0.1% formic acid | |
methanol | |
41439897.36328 | |
loess on assigned fragments and MS1 | |
Peaks with additional N2/O included | |
RMassBank 2.99.2 | |
negative | |
0.032291447115008406 | |
0.029392941848626668 | |
199.0765 | |
[M-H]- | |
0.2329556728204317 ppm | |
4.637600000023667E-5 Da |