Name | Value |
---|---|
InChI=1S/C16H14FN3O/c1-20-14-7-6-10(18)8-12(14)16(19-9-15(20)21)11-4-2-3-5-13(11)17/h2-8H,9,18H2,1H3 | |
LTCDLGUFORGHGY-UHFFFAOYSA-N | |
C16H14FN3O | |
283.11209028799993 | |
O=C1N(C=2C=CC(N)=CC2C(=NC1)C=3C=CC=CC3F)C |
External Identifier | Value |
---|---|
34084-50-9 | |
92294 | |
83325 |
Name | Value |
---|---|
AU159605 | |
2015.12.07 | |
Nikiforos Alygizakis, Nikolaos Thomaidis, University of Athens | |
CC BY-SA | |
Copyright (C) 2015 Department of Chemistry, University of Athens | |
283.1120903 | |
Bruker maXis Impact | |
LC-ESI-QTOF | |
MS2 | |
ESI | |
CID | |
50 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 | |
5.2 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 | |
Peaks with additional N2/O included | |
RMassBank 2.0.3 | |
positive | |
3.3968743695527004 | |
0.7586818928985524 | |
284.1194 | |
[M+H]+ | |
2.3239806924451663 ppm | |
-6.602879999491051E-4 Da |