Name | Value |
---|---|
InChI=1S/C8H14N4OS/c1-8(2,3)5-6(13)12(9)7(14-4)11-10-5/h9H2,1-4H3 | |
FOXFZRUHNHCZPX-UHFFFAOYSA-N | |
C8H14N4OS | |
214.088832068 | |
O=C1C(=NN=C(SC)N1N)C(C)(C)C |
External Identifier | Value |
---|---|
21087-64-9 | |
34846 | |
C14332 | |
30479 | |
28287 |
Name | Value |
---|---|
HCD | |
LU064401 | |
2020.08.19 | |
Kondić, T.;Singh, R.;Elapavalore, A.;Schymanski, E. | |
CC0 | |
Copyright © 2019 by Environmental Cheminformatics, LCSB, University of Luxembourg, Luxembourg | |
214.0888 | |
Q Exactive Orbitrap (Thermo Scientific) | |
LC-ESI-QFT | |
MS2 | |
ESI | |
15 | |
17500 | |
Acquity BEH C18 1.7um, 2.1x150mm (Waters) | |
90/10 at 0-2 min, 0/100 at 15-20 min, 90/10 at 20.1-30 min | |
0.20 mL/min | |
15.295 min | |
0.1% formic acid | |
methanol | |
11974734.375 | |
loess on assigned fragments and MS1 | |
Peaks with additional N2/O included | |
RMassBank 2.99.2 | |
positive | |
0.42335628529509084 | |
0.15269350333110018 | |
215.0961 | |
[M+H]+ | |
3.2639736377423016 ppm | |
-7.020679999811819E-4 Da |