Name | Value |
---|---|
InChI=1S/C10H14O2/c1-10(2,3)7-4-5-8(11)9(12)6-7/h4-6,11-12H,1-3H3 | |
XESZUVZBAMCAEJ-UHFFFAOYSA-N | |
C10H14O2 | |
166.099379688 | |
OC1=CC=C(C=C1O)C(C)(C)C |
External Identifier | Value |
---|---|
98-29-3 | |
7381 | |
7103 |
Name | Value |
---|---|
LU129005 | |
2020.08.19 | |
Kondić, T.;Singh, R.;Elapavalore, A.;Schymanski, E. | |
CC0 | |
Copyright © 2019 by Environmental Cheminformatics, LCSB, University of Luxembourg, Luxembourg | |
166.0994 | |
Q Exactive Orbitrap (Thermo Scientific) | |
LC-ESI-QFT | |
MS2 | |
ESI | |
HCD | |
75 | |
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 | |
16.672 min | |
0.1% formic acid | |
methanol | |
1491067.90625 | |
loess on assigned fragments and MS1 | |
Peaks with additional N2/O included | |
RMassBank 2.99.2 | |
positive | |
2.5592015739840166 | |
0.827941256906235 | |
167.1067 | |
[M+H]+ | |
3.8878632634716244 ppm | |
-6.496880000099736E-4 Da |