Name | Value |
---|---|
InChI=1S/C4H4FN3O/c5-2-1-7-4(9)8-3(2)6/h1H,(H3,6,7,8,9) | |
XRECTZIEBJDKEO-UHFFFAOYSA-N | |
C4H4FN3O | |
129.033839968 | |
FC1=CN=C(O)NC1=N |
External Identifier | Value |
---|---|
2022-85-7 | |
5100 | |
D00323 | |
3366 | |
3249 |
Name | Value |
---|---|
CC BY | |
AU223903 | |
2016.02.22 | |
Nikiforos Alygizakis, Reza Aalizadeh, Nikolaos Thomaidis, University of Athens | |
Copyright (C) 2016 Department of Chemistry, University of Athens | |
129.03384 | |
Bruker maXis Impact | |
LC-ESI-QTOF | |
MS2 | |
ESI | |
CID | |
30 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 | |
1.583 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 1.99.10 | |
positive | |
0.6883019405994666 | |
0.9930097963371003 | |
130.0411 | |
[M+H]+ | |
5.459566244789857 ppm | |
-7.099679999953423E-4 Da |