Name | Value |
---|---|
InChI=1S/C9H10ClNO/c1-6-3-4-8(5-9(6)10)11-7(2)12/h3-5H,1-2H3,(H,11,12) | |
IGLVCWPPISIXPR-UHFFFAOYSA-N | |
C9H10ClNO | |
183.04509162 | |
ClC1=CC(N=C(O)C)=CC=C1C |
External Identifier | Value |
---|---|
7149-79-3 | |
23537 | |
22007 |
Name | Value |
---|---|
LU041052 | |
2020.08.19 | |
Kondić, T.;Singh, R.;Elapavalore, A.;Schymanski, E. | |
CC0 | |
Copyright © 2019 by Environmental Cheminformatics, LCSB, University of Luxembourg, Luxembourg | |
183.0451 | |
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 | |
16.441 min | |
0.1% formic acid | |
methanol | |
1030310.927734 | |
loess on assigned fragments and MS1 | |
Peaks with additional N2/O included | |
RMassBank 2.99.2 | |
negative | |
0.7243149897070684 | |
0.6592999160651876 | |
182.0378 | |
[M-H]- | |
0.08580635450009182 ppm | |
-1.5619999999216816E-5 Da |