Name | Value |
---|---|
C13H8O | |
InChI=1S/C13H8O/c14-13-11-7-3-1-5-9(11)10-6-2-4-8-12(10)13/h1-8H | |
YLQWCDOCJODRMT-UHFFFAOYSA-N | |
180.057514876 | |
O=C1C=2C=CC=CC2C=3C=CC=CC13 |
External Identifier | Value |
---|---|
486-25-9 | |
C06712 | |
10241 | |
9824 |
Name | Value |
---|---|
UA001101 | |
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 | |
180.0575 | |
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 | |
Peaks with additional N2/O included | |
RMassBank 1.5.2.3 | |
positive | |
0.7252808617193809 | |
0.6601790906586954 | |
181.0648 | |
[M+H]+ | |
3.782491130292672 ppm | |
-6.848760000082166E-4 Da |