Name | Value |
---|---|
InChI=1S/C14H18O4/c1-9(2)17-13(15)11-7-5-6-8-12(11)14(16)18-10(3)4/h5-10H,1-4H3 | |
QWDBCIAVABMJPP-UHFFFAOYSA-N | |
C14H18O4 | |
250.120509056 | |
O=C(OC(C)C)C=1C=CC=CC1C(=O)OC(C)C |
External Identifier | Value |
---|---|
605-45-8 | |
34712 | |
C14468 | |
11799 | |
11306 |
Name | Value |
---|---|
LU083204 | |
2020.08.19 | |
Kondić, T.;Singh, R.;Elapavalore, A.;Schymanski, E. | |
CC0 | |
Copyright © 2019 by Environmental Cheminformatics, LCSB, University of Luxembourg, Luxembourg | |
250.1205 | |
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 | |
17.943 min | |
0.1% formic acid | |
methanol | |
6080503.3125 | |
loess on assigned fragments and MS1 | |
Peaks with additional N2/O included | |
RMassBank 2.99.2 | |
positive | |
1.490823411477912 | |
0.9263006668105658 | |
251.1278 | |
[M+H]+ | |
2.7040255996971494 ppm | |
-6.790559999956258E-4 Da |