Name | Value |
---|---|
InChI=1S/C15H22ClNO2/c1-5-13-8-6-7-11(2)15(13)17(14(18)9-16)12(3)10-19-4/h6-8,12H,5,9-10H2,1-4H3 | |
WVQBLGZPHOPPFO-UHFFFAOYSA-N | |
C15H22ClNO2 | |
283.13390662399996 | |
O=C(N(C=1C(=CC=CC1CC)C)C(C)COC)CCl |
External Identifier | Value |
---|---|
63150-68-5 | |
83645 | |
C10953 | |
4169 | |
4025 |
Name | Value |
---|---|
LU098805 | |
2020.08.19 | |
Kondić, T.;Singh, R.;Elapavalore, A.;Schymanski, E. | |
CC0 | |
Copyright © 2019 by Environmental Cheminformatics, LCSB, University of Luxembourg, Luxembourg | |
283.1339 | |
Q Exactive Orbitrap (Thermo Scientific) | |
LC-ESI-QFT | |
MS2 | |
ESI | |
HCD | |
75 | |
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 | |
18.192 min | |
0.1% formic acid | |
methanol | |
23578516.25 | |
loess on assigned fragments and MS1 | |
Peaks with additional N2/O included | |
RMassBank 2.99.2 | |
positive | |
3.4144167081228294 | |
0.8010023756446714 | |
284.1412 | |
[M+H]+ | |
2.3812949334222204 ppm | |
-6.766239999365098E-4 Da |