Name | Value |
---|---|
InChI=1S/C6H15O5PS2/c1-4-14(8,9)6-5-13-12(7,10-2)11-3/h4-6H2,1-3H3 | |
PZIRJMYRYORVIT-UHFFFAOYSA-N | |
C6H15O5PS2 | |
262.00985221 | |
O=P(OC)(OC)SCCS(=O)(=O)CC |
External Identifier | Value |
---|---|
17040-19-6 | |
82118 | |
C18979 | |
28213 | |
26248 |
Name | Value |
---|---|
LU127102 | |
2020.08.19 | |
Kondić, T.;Singh, R.;Elapavalore, A.;Schymanski, E. | |
CC0 | |
Copyright © 2019 by Environmental Cheminformatics, LCSB, University of Luxembourg, Luxembourg | |
262.0099 | |
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 | |
11.013 min | |
0.1% formic acid | |
methanol | |
5233898.1875 | |
loess on assigned fragments and MS1 | |
Peaks with additional N2/O included | |
RMassBank 2.99.2 | |
positive | |
1.8677116988680054 | |
0.5438901159644912 | |
263.0171 | |
[M+H]+ | |
2.745867093782776 ppm | |
-7.222099999921738E-4 Da |