Name | Value |
---|---|
InChI=1S/C14H17BrN2O2/c15-11-1-3-13(4-2-11)19-14(18)17-10-9-16-7-5-12(17)6-8-16/h1-4,12H,5-10H2 | |
RXLOZRCLQMJJLC-UHFFFAOYSA-N | |
C14H17BrN2O2 | |
324.047339884 | |
O=C(OC1=CC=C(Br)C=C1)N2CCN3CCC2CC3 |
External Identifier | Value |
---|---|
298198-52-4 | |
9797360 | |
7973126 |
Name | Value |
---|---|
LU054005 | |
2020.08.19 | |
Kondić, T.;Singh, R.;Elapavalore, A.;Schymanski, E. | |
CC0 | |
Copyright © 2019 by Environmental Cheminformatics, LCSB, University of Luxembourg, Luxembourg | |
324.0473 | |
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 | |
13.135 min | |
0.1% formic acid | |
methanol | |
7297522.625 | |
loess on assigned fragments and MS1 | |
Peaks with additional N2/O included | |
RMassBank 2.99.2 | |
positive | |
2.915109706743164 | |
0.6908648852962571 | |
325.0546 | |
[M+H]+ | |
2.1838915677630863 ppm | |
-7.09884000002603E-4 Da |