Name | Value |
---|---|
InChI=1S/C15H17ClN4/c1-2-3-8-15(9-17,10-20-12-18-11-19-20)13-4-6-14(16)7-5-13/h4-7,11-12H,2-3,8,10H2,1H3 | |
HZJKXKUJVSEEFU-UHFFFAOYSA-N | |
C15H17ClN4 | |
288.114174224 | |
N#CC(C1=CC=C(Cl)C=C1)(CN2N=CN=C2)CCCC |
External Identifier | Value |
---|---|
1993-05-1 | |
83729 | |
C18477 | |
6336 | |
6096 |
Name | Value |
---|---|
LU070504 | |
2020.08.19 | |
Kondić, T.;Singh, R.;Elapavalore, A.;Schymanski, E. | |
CC0 | |
Copyright © 2019 by Environmental Cheminformatics, LCSB, University of Luxembourg, Luxembourg | |
288.1142 | |
Q Exactive Orbitrap (Thermo Scientific) | |
LC-ESI-QFT | |
MS2 | |
ESI | |
HCD | |
60 | |
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 | |
17.761 min | |
0.1% formic acid | |
methanol | |
9017476.875 | |
loess on assigned fragments and MS1 | |
Peaks with additional N2/O included | |
RMassBank 2.99.2 | |
positive | |
1.4378719629961338 | |
0.3777250982613092 | |
289.1215 | |
[M+H]+ | |
2.2282120146174043 ppm | |
-6.442239999842059E-4 Da |