Name | Value |
---|---|
InChI=1S/C9H11ClN2O/c1-12(2)9(13)11-8-5-3-7(10)4-6-8/h3-6H,1-2H3,(H,11,13) | |
BMLIZLVNXIYGCK-UHFFFAOYSA-N | |
C9H11ClN2O | |
198.055990652 | |
O=C(NC1=CC=C(Cl)C=C1)N(C)C |
External Identifier | Value |
---|---|
140-41-0 | |
38214 | |
C19087 | |
8800 | |
8470 |
Name | Value |
---|---|
LU044652 | |
2020.08.19 | |
Kondić, T.;Singh, R.;Elapavalore, A.;Schymanski, E. | |
CC0 | |
Copyright © 2019 by Environmental Cheminformatics, LCSB, University of Luxembourg, Luxembourg | |
198.056 | |
Q Exactive Orbitrap (Thermo Scientific) | |
LC-ESI-QFT | |
MS2 | |
ESI | |
HCD | |
30 | |
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 | |
15.120 min | |
0.1% formic acid | |
methanol | |
942251.4658203 | |
loess on assigned fragments and MS1 | |
Peaks with additional N2/O included | |
RMassBank 2.99.2 | |
negative | |
0.8422416572044138 | |
0.6075489310394551 | |
197.0487 | |
[M-H]- | |
0.07435725282323236 ppm | |
-1.4652000004389265E-5 Da |