Name | Value |
---|---|
InChI=1S/C9H6N2O3/c12-10-6-5-9(11(13)14)7-3-1-2-4-8(7)10/h1-6H | |
YHQDZJICGQWFHK-UHFFFAOYSA-N | |
C9H6N2O3 | |
190.03784205199997 | |
O=N(=O)C1=CC=N(=O)C=2C=CC=CC12 |
External Identifier | Value |
---|---|
56-57-5 | |
C03474 | |
5955 | |
5740 |
Name | Value |
---|---|
UA003701 | |
2014.06.24 | |
C. Gallampois (Umea), E. Schymanski (Eawag), W. Brack (UFZ) | |
CC BY | |
Copyright (C) Eawag, 2014 | |
Multi-criteria approach for tentative identification of polyaromatic river mutagens | |
190.0378 | |
LTQ Orbitrap XL Thermo Scientific | |
ESI-ITFT | |
MS2 | |
ESI | |
CID | |
35 % (nominal) | |
30000 | |
N/A | |
Direct infusion experiment | |
5 uL/min | |
N/A min | |
methanol | |
N/A | |
loess on assigned fragments and MS1 | |
1.1750939897770132 | |
Peaks with additional N2/O included | |
RMassBank 1.5.2.3 | |
positive | |
0.4339262209019372 | |
191.0451 | |
[M+H]+ | |
3.72714086874268 ppm | |
-7.120519999830321E-4 Da |