Name | Value |
---|---|
InChI=1S/C10H13ClO/c1-6(2)8-5-9(11)7(3)4-10(8)12/h4-6,12H,1-3H3 | |
KFZXVMNBUMVKLN-UHFFFAOYSA-N | |
C10H13ClO | |
184.065492716 | |
ClC=1C=C(C(O)=CC1C)C(C)C |
External Identifier | Value |
---|---|
89-68-9 | |
D07681 | |
6982 | |
6716 |
Name | Value |
---|---|
LU083352 | |
2020.08.19 | |
Kondić, T.;Singh, R.;Elapavalore, A.;Schymanski, E. | |
CC0 | |
Copyright © 2019 by Environmental Cheminformatics, LCSB, University of Luxembourg, Luxembourg | |
184.0655 | |
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 | |
18.966 min | |
0.1% formic acid | |
methanol | |
18840600.69531 | |
loess on assigned fragments and MS1 | |
Peaks with additional N2/O included | |
RMassBank 2.99.2 | |
negative | |
0.08193918930236603 | |
0.05910663103049274 | |
183.0582 | |
[M-H]- | |
0.0913152210861635 ppm | |
-1.6716000004635134E-5 Da |