Name | Value |
---|---|
InChI=1S/C14H14Cl2N2O/c1-2-7-19-14(9-18-6-5-17-10-18)12-4-3-11(15)8-13(12)16/h2-6,8,10,14H,1,7,9H2 | |
PZBPKYOVPCNPJY-UHFFFAOYSA-N | |
C14H14Cl2N2O | |
296.04831842799996 | |
ClC1=CC=C(C(Cl)=C1)C(OCC=C)CN2C=NC=C2 |
External Identifier | Value |
---|---|
35554-44-0 | |
83829 | |
C18739 | |
37175 | |
34116 |
Name | Value |
---|---|
LU092401 | |
2020.08.19 | |
Kondić, T.;Singh, R.;Elapavalore, A.;Schymanski, E. | |
CC0 | |
Copyright © 2019 by Environmental Cheminformatics, LCSB, University of Luxembourg, Luxembourg | |
296.0483 | |
Q Exactive Orbitrap (Thermo Scientific) | |
LC-ESI-QFT | |
MS2 | |
ESI | |
HCD | |
15 | |
17500 | |
Acquity BEH C18 1.7um, 2.1x150mm (Waters) | |
90/10 at 0-2 min, 0/100 at 15-20 min, 90/10 at 20.1-30 min | |
0.20 mL/min | |
15.289 min | |
0.1% formic acid | |
methanol | |
37766447.75 | |
loess on assigned fragments and MS1 | |
Peaks with additional N2/O included | |
RMassBank 2.99.2 | |
positive | |
0.42264726884963755 | |
0.1762576012572907 | |
297.0556 | |
[M+H]+ | |
2.317505544189802 ppm | |
-6.884279999326282E-4 Da |