Name | Value |
---|---|
InChI=1S/C8H8O3/c1-11-8-4-6(5-9)2-3-7(8)10/h2-5,10H,1H3 | |
MWOOGOJBHIARFG-UHFFFAOYSA-N | |
C8H8O3 | |
152.04734411599998 | |
O=CC1=CC=C(O)C(OC)=C1 |
External Identifier | Value |
---|---|
121-33-5 | |
18346 | |
D00091 | |
1183 | |
13860434 |
Name | Value |
---|---|
LU095254 | |
2020.08.19 | |
Kondić, T.;Singh, R.;Elapavalore, A.;Schymanski, E. | |
CC0 | |
Copyright © 2019 by Environmental Cheminformatics, LCSB, University of Luxembourg, Luxembourg | |
152.0473 | |
Q Exactive Orbitrap (Thermo Scientific) | |
LC-ESI-QFT | |
MS2 | |
ESI | |
HCD | |
60 | |
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 | |
14.170 min | |
0.1% formic acid | |
methanol | |
22939017.51758 | |
loess on assigned fragments and MS1 | |
Peaks with additional N2/O included | |
RMassBank 2.99.2 | |
negative | |
2.0883150474279777 | |
0.640961685161156 | |
151.0401 | |
[M-H]- | |
0.21109625860341635 ppm | |
3.188400000908587E-5 Da |