Name | Value |
---|---|
InChI=1S/C10H13ClN6/c1-10(2,5-12)17-9-15-7(11)14-8(16-9)13-6-3-4-6/h6H,3-4H2,1-2H3,(H2,13,14,15,16,17) | |
WUZNHSBFPPFULJ-UHFFFAOYSA-N | |
C10H13ClN6 | |
252.089022096 | |
N#CC(NC1=NC(Cl)=NC(=NC2CC2)N1)(C)C |
External Identifier | Value |
---|---|
32889-48-8 | |
36274 | |
33358 |
Name | Value |
---|---|
LU122754 | |
2020.08.19 | |
Kondić, T.;Singh, R.;Elapavalore, A.;Schymanski, E. | |
CC0 | |
Copyright © 2019 by Environmental Cheminformatics, LCSB, University of Luxembourg, Luxembourg | |
252.089 | |
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 | |
15.110 min | |
0.1% formic acid | |
methanol | |
237598.2678223 | |
loess on assigned fragments and MS1 | |
Peaks with additional N2/O included | |
RMassBank 2.99.2 | |
negative | |
0.0 | |
NaN | |
251.0817 | |
[M-H]- | |
0.18358964434879593 ppm | |
-4.609600000549108E-5 Da |