Name | Value |
---|---|
InChI=1S/C9H10O3/c1-2-12-9-5-7(6-10)3-4-8(9)11/h3-6,11H,2H2,1H3 | |
CBOQJANXLMLOSS-UHFFFAOYSA-N | |
C9H10O3 | |
166.06299417999998 | |
O=CC1=CC=C(O)C(OCC)=C1 |
External Identifier | Value |
---|---|
121-32-4 | |
8467 | |
8154 |
Name | Value |
---|---|
LU087452 | |
2020.08.19 | |
Kondić, T.;Singh, R.;Elapavalore, A.;Schymanski, E. | |
CC0 | |
Copyright © 2019 by Environmental Cheminformatics, LCSB, University of Luxembourg, Luxembourg | |
166.063 | |
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 | |
15.443 min | |
0.1% formic acid | |
methanol | |
28916647.62012 | |
loess on assigned fragments and MS1 | |
Peaks with additional N2/O included | |
RMassBank 2.99.2 | |
negative | |
1.4213869687213143 | |
0.5720081954960279 | |
165.0557 | |
[M-H]- | |
0.11014463592386382 ppm | |
-1.817999998365849E-5 Da |