Name | Value |
---|---|
InChI=1S/C15H8O/c16-15-11-5-1-3-9-7-8-10-4-2-6-12(15)14(10)13(9)11/h1-8H | |
IFCBMPOMNSORDG-UHFFFAOYSA-N | |
C15H8O | |
204.057514876 | |
O=C1C=2C=CC=C3C=CC4=CC=CC1=C4C32 |
External Identifier | Value |
---|---|
5737-13-3 | |
21963 | |
20640 |
Name | Value |
---|---|
UA001401 | |
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 | |
204.0575 | |
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 | |
0.1341951369508658 | |
0.1221496776752386 | |
205.0648 | |
[M+H]+ | |
3.339802833095766 ppm | |
-6.848760000082166E-4 Da |