Name | Value |
---|---|
InChI=1S/C9H7NO/c11-8-5-1-3-7-4-2-6-10-9(7)8/h1-6,11H | |
MCJGNVYPOGVAJF-UHFFFAOYSA-N | |
C9H7NO | |
145.052763844 | |
OC=1C=CC=C2C=CC=NC12 |
External Identifier | Value |
---|---|
134-30-5 | |
48981 | |
D04415 | |
1923 | |
1847 |
Name | Value |
---|---|
LU099404 | |
2020.08.19 | |
Kondić, T.;Singh, R.;Elapavalore, A.;Schymanski, E. | |
CC0 | |
Copyright © 2019 by Environmental Cheminformatics, LCSB, University of Luxembourg, Luxembourg | |
145.0528 | |
Q Exactive Orbitrap (Thermo Scientific) | |
LC-ESI-QFT | |
MS2 | |
ESI | |
HCD | |
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 | |
8.051 min | |
0.1% formic acid | |
methanol | |
1316264.6875 | |
loess on assigned fragments and MS1 | |
Peaks with additional N2/O included | |
RMassBank 2.99.2 | |
positive | |
0.6840064963122919 | |
0.4249971316245473 | |
146.06 | |
[M+H]+ | |
5.024264001064923 ppm | |
-7.338439999955426E-4 Da |