Name | Value |
---|---|
InChI=1S/C19H22ClN5O/c20-16-5-3-6-17(15-16)23-13-11-22(12-14-23)8-4-10-25-19(26)24-9-2-1-7-18(24)21-25/h1-3,5-7,9,15H,4,8,10-14H2 | |
PHLBKPHSAVXXEF-UHFFFAOYSA-N | |
C19H22ClN5O | |
371.151288004 | |
O=C1N2C=CC=CC2=NN1CCCN3CCN(C=4C=CC=C(Cl)C4)CC3 |
External Identifier | Value |
---|---|
25332-39-2 | |
9654 | |
C07156 | |
5533 | |
5332 |
Name | Value |
---|---|
LU071206 | |
2020.08.19 | |
Kondić, T.;Singh, R.;Elapavalore, A.;Schymanski, E. | |
CC0 | |
Copyright © 2019 by Environmental Cheminformatics, LCSB, University of Luxembourg, Luxembourg | |
371.1513 | |
Q Exactive Orbitrap (Thermo Scientific) | |
LC-ESI-QFT | |
MS2 | |
ESI | |
HCD | |
90 | |
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 | |
13.407 min | |
0.1% formic acid | |
methanol | |
2737671.25 | |
loess on assigned fragments and MS1 | |
Peaks with additional N2/O included | |
RMassBank 2.99.2 | |
positive | |
2.357018564278279 | |
0.6056339665586686 | |
372.1586 | |
[M+H]+ | |
1.7680741490367566 ppm | |
-6.580040000017107E-4 Da |