Name | Value |
---|---|
InChI=1S/C28H29F2N3O/c29-22-11-7-20(8-12-22)25(21-9-13-23(30)14-10-21)4-3-17-32-18-15-24(16-19-32)33-27-6-2-1-5-26(27)31-28(33)34/h1-2,5-14,24-25H,3-4,15-19H2,(H,31,34) | |
YVUQSNJEYSNKRX-UHFFFAOYSA-N | |
C28H29F2N3O | |
461.227868988 | |
FC1=CC=C(C=C1)C(C2=CC=C(F)C=C2)CCCN3CCC(N4C(O)=NC=5C=CC=CC54)CC3 |
External Identifier | Value |
---|---|
2062-78-4 | |
8212 | |
D00560 | |
16362 | |
15520 |
Name | Value |
---|---|
LU020504 | |
2020.08.19 | |
Kondić, T.;Singh, R.;Elapavalore, A.;Schymanski, E. | |
CC0 | |
Copyright © 2019 by Environmental Cheminformatics, LCSB, University of Luxembourg, Luxembourg | |
461.2279 | |
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 | |
15.883 min | |
0.1% formic acid | |
methanol | |
18982777 | |
loess on assigned fragments and MS1 | |
Peaks with additional N2/O included | |
RMassBank 2.99.2 | |
positive | |
2.931500797073511 | |
0.6689828797199173 | |
462.2351 | |
[M+H]+ | |
1.5987275739623736 ppm | |
-7.389880000232552E-4 Da |