Name | Value |
---|---|
InChI=1S/C10H13ClN2O3S/c1-2-7-12-10(14)13-17(15,16)9-5-3-8(11)4-6-9/h3-6H,2,7H2,1H3,(H2,12,13,14) | |
RKWGIWYCVPQPMF-UHFFFAOYSA-N | |
C10H13ClN2O3S | |
276.03354095599997 | |
O=S(=O)(NC(O)=NCCC)C1=CC=C(Cl)C=C1 |
External Identifier | Value |
---|---|
94-20-2 | |
3650 | |
D00271 | |
2727 | |
2626 |
Name | Value |
---|---|
LU042052 | |
2020.08.19 | |
Kondić, T.;Singh, R.;Elapavalore, A.;Schymanski, E. | |
CC0 | |
Copyright © 2019 by Environmental Cheminformatics, LCSB, University of Luxembourg, Luxembourg | |
276.0335 | |
Q Exactive Orbitrap (Thermo Scientific) | |
LC-ESI-QFT | |
MS2 | |
ESI | |
HCD | |
30 | |
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 | |
15.720 min | |
0.1% formic acid | |
methanol | |
28216435.90625 | |
loess on assigned fragments and MS1 | |
Peaks with additional N2/O included | |
RMassBank 2.99.2 | |
negative | |
0.3250226323344836 | |
0.18139858497553432 | |
275.0263 | |
[M-H]- | |
0.12742054128914237 ppm | |
3.5044000014750054E-5 Da |