Name | Value |
---|---|
InChI=1S/C13H16N2O2/c1-2-13(8-7-11(16)15-12(13)17)9-3-5-10(14)6-4-9/h3-6H,2,7-8,14H2,1H3,(H,15,16,17) | |
ROBVIMPUHSLWNV-UHFFFAOYSA-N | |
C13H16N2O2 | |
232.121177752 | |
O=C1N=C(O)CCC1(C2=CC=C(N)C=C2)CC |
External Identifier | Value |
---|---|
125-84-8 | |
2654 | |
C07617 | |
2145 | |
2060 |
Name | Value |
---|---|
LU117356 | |
2020.08.19 | |
Kondić, T.;Singh, R.;Elapavalore, A.;Schymanski, E. | |
CC0 | |
Copyright © 2019 by Environmental Cheminformatics, LCSB, University of Luxembourg, Luxembourg | |
232.1212 | |
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 | |
13.547 min | |
0.1% formic acid | |
methanol | |
575202.513916 | |
loess on assigned fragments and MS1 | |
Peaks with additional N2/O included | |
RMassBank 2.99.2 | |
negative | |
0.27818754755988717 | |
0.2532172181481282 | |
231.1139 | |
[M-H]- | |
0.0075806777647410345 ppm | |
-1.7520000028525828E-6 Da |