Name | Value |
---|---|
InChI=1S/C10H12O4/c1-12-8-5-10(14-3)9(13-2)4-7(8)6-11/h4-6H,1-3H3 | |
IAJBQAYHSQIQRE-UHFFFAOYSA-N | |
C10H12O4 | |
196.073558864 | |
O=CC1=CC(OC)=C(OC)C=C1OC |
External Identifier | Value |
---|---|
4460-86-0 | |
113543 | |
20525 | |
19331 |
Name | Value |
---|---|
LU074603 | |
2020.08.19 | |
Kondić, T.;Singh, R.;Elapavalore, A.;Schymanski, E. | |
CC0 | |
Copyright © 2019 by Environmental Cheminformatics, LCSB, University of Luxembourg, Luxembourg | |
196.0736 | |
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 | |
14.095 min | |
0.1% formic acid | |
methanol | |
2105052.5 | |
loess on assigned fragments and MS1 | |
Peaks with additional N2/O included | |
RMassBank 2.99.2 | |
positive | |
2.0626285282486974 | |
0.5951487897800993 | |
197.0808 | |
[M+H]+ | |
3.698300392507085 ppm | |
-7.288639999956104E-4 Da |