Name | Value |
---|---|
InChI=1S/C7H7NO2/c8-7(10)5-3-1-2-4-6(5)9/h1-4,9H,(H2,8,10) | |
SKZKKFZAGNVIMN-UHFFFAOYSA-N | |
C7H7NO2 | |
137.047678464 | |
N=C(O)C=1C=CC=CC1O |
External Identifier | Value |
---|---|
65-45-2 | |
32114 | |
D01811 | |
5147 | |
4963 |
Name | Value |
---|---|
LU054652 | |
2020.08.19 | |
Kondić, T.;Singh, R.;Elapavalore, A.;Schymanski, E. | |
CC0 | |
Copyright © 2019 by Environmental Cheminformatics, LCSB, University of Luxembourg, Luxembourg | |
137.0477 | |
Q Exactive Orbitrap (Thermo Scientific) | |
LC-ESI-QFT | |
MS2 | |
ESI | |
HCD | |
30 | |
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 | |
12.125 min | |
0.1% formic acid | |
methanol | |
2604703.547119 | |
loess on assigned fragments and MS1 | |
Peaks with additional N2/O included | |
RMassBank 2.99.2 | |
negative | |
1.2675125263860176 | |
0.7875498126355446 | |
136.0404 | |
[M-H]- | |
0.01811226668636896 ppm | |
-2.464000004920308E-6 Da |