Name | Value |
---|---|
InChI=1S/C10H9FO3/c11-8-3-1-7(2-4-8)9(12)5-6-10(13)14/h1-4H,5-6H2,(H,13,14) | |
WUYWHIAAQYQKPP-UHFFFAOYSA-N | |
C10H9FO3 | |
196.053572368 | |
O=C(O)CCC(=O)C1=CC=C(F)C=C1 |
External Identifier | Value |
---|---|
366-77-8 | |
101359 | |
91589 |
Name | Value |
---|---|
AU272406 | |
2019.05.30 | |
Nikiforos Alygizakis, Katerina Galani, Nikolaos Thomaidis, University of Athens | |
CC BY | |
Copyright (C) 2019 Department of Chemistry, University of Athens | |
196.0535724 | |
Bruker maXis Impact | |
LC-ESI-QTOF | |
MS2 | |
ESI | |
CID | |
Ramp 17.9-26.8 eV | |
35000 | |
Acclaim RSLC C18 2.2um, 2.1x100mm, Thermo | |
99/1 at 0-1 min, 61/39 at 3 min, 0.1/99.9 at 14-16 min, 99/1 at 16.1-20 min | |
200 uL/min at 0-3 min, 400 uL/min at 14 min, 480 uL/min at 16-19 min, 200 uL/min at 19.1-20 min | |
6.097 min | |
90:10 water:methanol with 0.01% formic acid and 5mM ammonium formate | |
methanol with 0.01% formic acid and 5mM ammonium formate | |
identity on assigned fragments and MS1 | |
RMassBank 2.10.1 | |
positive | |
1.6574207801949514 | |
0.6461807034799538 | |
197.0608 | |
[M+H]+ | |
3.7672028125557677 ppm | |
-7.423680000044897E-4 Da |