Name | Value |
---|---|
InChI=1S/C12H14N2O2/c1-2-12(9-6-4-3-5-7-9)10(15)13-8-14-11(12)16/h3-7H,2,8H2,1H3,(H,13,15)(H,14,16) | |
DQMZLTXERSFNPB-UHFFFAOYSA-N | |
C12H14N2O2 | |
218.105527688 | |
OC1=NCN=C(O)C1(C=2C=CC=CC2)CC |
External Identifier | Value |
---|---|
125-33-7 | |
8412 | |
C07371 | |
4909 | |
4740 |
Name | Value |
---|---|
UF409501 | |
2017.01.05 | |
Schulze T, Krauss M, Department of Effect-Directed Analysis, Helmholtz Centre for Environmental Research - UFZ GmbH, Leipzig, Germany | |
CC BY | |
Copyright (C) 2017 | |
218.1055 | |
LTQ Orbitrap XL Thermo Scientific | |
LC-ESI-ITFT | |
MS2 | |
ESI | |
HCD | |
55 (nominal) | |
15000 | |
Kinetex Core-Shell C18 2.6 um, 3.0 x 100 mm, Phenomenex | |
90/10 at 0 min, 80/20 at 3.2 min, 5/95 at 17.8 min, 5/95 at 37.8 min, 90/10 at 37.9 min, 90/10 at 47 min | |
200 uL/min | |
18.377 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 2.2.1 | |
positive | |
1.5928529725514187 | |
0.6917672564622729 | |
219.1128 | |
[M+H]+ | |
3.184149899058714 ppm | |
-6.976880000024721E-4 Da |