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 | |
D00323 | |
3366 | |
3249 |
Name | Value |
---|---|
EQ312105 | |
2015.08.25 | |
Beck B, Stravs M, Schymanski E, Singer H, Department of Environmental Chemistry, Eawag | |
CC BY | |
Copyright (C) 2015 Eawag, Duebendorf, Switzerland | |
129.03384 | |
Q Exactive Orbitrap Thermo Scientific | |
LC-ESI-QFT | |
MS2 | |
ESI | |
HCD | |
75 (nominal) | |
35000 | |
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 | |
0.9 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 1.9.6 | |
positive | |
1.452730263090189 | |
0.74655567411242 | |
130.0411 | |
[M+H]+ | |
5.459566244789857 ppm | |
-7.099679999953423E-4 Da |