Name | Value |
---|---|
InChI=1S/C13H12N2O/c1-8-13-11(5-6-14-8)10-4-3-9(16-2)7-12(10)15-13/h3-7,15H,1-2H3 | |
BXNJHAXVSOCGBA-UHFFFAOYSA-N | |
C13H12N2O | |
212.094963004 | |
N=1C=CC=2C=3C=CC(OC)=CC3NC2C1C |
External Identifier | Value |
---|---|
343-27-1 | |
28121 | |
C06538 | |
5280953 | |
4444445 |
Name | Value |
---|---|
NA000107 | |
2018.08.29 | |
Tobias Schulze, Hubert Schupke, Martin Krauss, Department of Effect-Directed Analysis, Helmholtz Centre for Environmental Research GmbH - UFZ, Leipzig, Germany | |
CC BY | |
Copyright (C) 2018 | |
212.095 | |
LTQ Orbitrap XL Thermo Scientific | |
LC-ESI-ITFT | |
MS2 | |
ESI | |
HCD | |
100 % (nominal) | |
15000 | |
Kinetex Evo C18 2.6 um 50 x 2.1 mm | |
95/5 at 0 min, 95/5 at 1 min, 0/100 at 13 min, 0/100 at 24 min, 95/5 at 24.3 min, 95/5 at 32 min | |
300 uL/min | |
6.644 min | |
water with 0.1% formic acid | |
methanol with 0.1% formic acid | |
loess on assigned fragments and MS1 | |
Peaks with additional N2/O included | |
RMassBank 2.9.1 | |
positive | |
1.145877872532252 | |
0.42313760360345815 | |
213.1022 | |
[M+H]+ | |
3.4396829313957533 ppm | |
-7.330039999828841E-4 Da |