Name | Value |
---|---|
InChI=1S/C7H5F3O/c8-7(9,10)5-1-3-6(11)4-2-5/h1-4,11H | |
BAYGVMXZJBFEMB-UHFFFAOYSA-N | |
C7H5F3O | |
162.02924944 | |
FC(F)(F)C1=CC=C(O)C=C1 |
External Identifier | Value |
---|---|
402-45-9 | |
67874 | |
61191 |
Name | Value |
---|---|
EA067354 | |
2014.01.14 | |
Stravs M, Schymanski E, Singer H, Department of Environmental Chemistry, Eawag | |
CC BY | |
Copyright (C) 2012 Eawag, Duebendorf, Switzerland | |
162.0292 | |
LTQ Orbitrap XL Thermo Scientific | |
LC-ESI-ITFT | |
MS2 | |
ESI | |
HCD | |
45 % (nominal) | |
7500 | |
XBridge C18 3.5um, 2.1x50mm, Waters | |
90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min | |
200 ul/min | |
8.9 min | |
water with 0.1% formic acid | |
methanol with 0.1% formic acid | |
Spline | |
loess on assigned fragments and MS1 | |
Peaks with additional N2/O included | |
RMassBank 1.3.1 | |
negative | |
0.1614444791361017 | |
0.23291514942855562 | |
161.022 | |
[M-H]- | |
0.16494640471917452 ppm | |
2.6559999980690918E-5 Da |