Name | Value |
---|---|
InChI=1S/C7H6N2O4/c8-6-3-4(9(12)13)1-2-5(6)7(10)11/h1-3H,8H2,(H,10,11) | |
UEALKTCRMBVTFN-UHFFFAOYSA-N | |
C7H6N2O4 | |
182.032756672 | |
O=C(O)C1=CC=C(C=C1N)N(=O)=O |
External Identifier | Value |
---|---|
619-17-0 | |
75335 | |
12076 | |
11579 |
Name | Value |
---|---|
LU039452 | |
2020.08.19 | |
Kondić, T.;Singh, R.;Elapavalore, A.;Schymanski, E. | |
CC0 | |
Copyright © 2019 by Environmental Cheminformatics, LCSB, University of Luxembourg, Luxembourg | |
182.0328 | |
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 | |
14.834 min | |
0.1% formic acid | |
methanol | |
9132172.929199 | |
loess on assigned fragments and MS1 | |
Peaks with additional N2/O included | |
RMassBank 2.99.2 | |
negative | |
0.5521138779264809 | |
0.3982659768452543 | |
181.0255 | |
[M-H]- | |
0.10676948816143833 ppm | |
1.9327999979168453E-5 Da |