Name | Value |
---|---|
InChI=1S/C9H11NO2/c1-2-12-9(11)7-3-5-8(10)6-4-7/h3-6H,2,10H2,1H3 | |
BLFLLBZGZJTVJG-UHFFFAOYSA-N | |
C9H11NO2 | |
165.078978592 | |
O=C(OCC)C1=CC=C(N)C=C1 |
External Identifier | Value |
---|---|
94-09-7 | |
116735 | |
D00552 | |
2337 | |
13854242 |
Name | Value |
---|---|
2020.08.19 | |
LU102303 | |
Kondić, T.;Singh, R.;Elapavalore, A.;Schymanski, E. | |
CC0 | |
Copyright © 2019 by Environmental Cheminformatics, LCSB, University of Luxembourg, Luxembourg | |
165.079 | |
Q Exactive Orbitrap (Thermo Scientific) | |
LC-ESI-QFT | |
MS2 | |
ESI | |
HCD | |
45 | |
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 | |
19.160 min | |
0.1% formic acid | |
methanol | |
2094843.859375 | |
loess on assigned fragments and MS1 | |
Peaks with additional N2/O included | |
RMassBank 2.99.2 | |
positive | |
0.47899380923289075 | |
0.21799947723759466 | |
166.0863 | |
[M+H]+ | |
3.905150515151192 ppm | |
-6.485920000045553E-4 Da |