Name | Value |
---|---|
InChI=1S/C15H21N3O2/c1-15-7-8-17(3)13(15)18(4)12-6-5-10(9-11(12)15)20-14(19)16-2/h5-6,9,13H,7-8H2,1-4H3,(H,16,19)/t13-,15+/m1/s1 | |
PIJVFDBKTWXHHD-HIFRSBDPSA-N | |
C15H21N3O2 | |
275.163376912 | |
OC(=NC)OC1=CC=C2C(=C1)C3(C)CCN(C)C3N2C |
External Identifier | Value |
---|---|
57-47-6 | |
27953 | |
D00196 | |
5983 | |
5763 |
Name | Value |
---|---|
LU097902 | |
2020.08.19 | |
Kondić, T.;Singh, R.;Elapavalore, A.;Schymanski, E. | |
CC0 | |
Copyright © 2019 by Environmental Cheminformatics, LCSB, University of Luxembourg, Luxembourg | |
275.1634 | |
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 | |
10.625 min | |
0.1% formic acid | |
methanol | |
11604646.25 | |
loess on assigned fragments and MS1 | |
Peaks with additional N2/O included | |
RMassBank 2.99.2 | |
positive | |
1.3610887812762085 | |
0.6194581998196602 | |
276.1707 | |
[M+H]+ | |
2.3424353125774684 ppm | |
-6.469119999792383E-4 Da |