Name | Value |
---|---|
InChI=1S/C6H6N2O3/c7-5-3-4(8(10)11)1-2-6(5)9/h1-3,9H,7H2 | |
VLZVIIYRNMWPSN-UHFFFAOYSA-N | |
C6H6N2O3 | |
154.037842052 | |
O=N(=O)C1=CC=C(O)C(N)=C1 |
External Identifier | Value |
---|---|
99-57-0 | |
82383 | |
C19321 | |
3613389 | |
2848685 |
Name | Value |
---|---|
LU076853 | |
2020.08.19 | |
Kondić, T.;Singh, R.;Elapavalore, A.;Schymanski, E. | |
CC0 | |
Copyright © 2019 by Environmental Cheminformatics, LCSB, University of Luxembourg, Luxembourg | |
154.0378 | |
Q Exactive Orbitrap (Thermo Scientific) | |
LC-ESI-QFT | |
MS2 | |
ESI | |
HCD | |
45 | |
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 | |
8.536 min | |
0.1% formic acid | |
methanol | |
4665903.308838 | |
loess on assigned fragments and MS1 | |
Peaks with additional N2/O included | |
RMassBank 2.99.2 | |
negative | |
0.6639759735534645 | |
0.37057204661489845 | |
153.0306 | |
[M-H]- | |
0.22183798521936154 ppm | |
3.3947999980910026E-5 Da |