Name | Value |
---|---|
InChI=1S/C13H19NO5S/c1-10-5-4-6-11(2)13(10)14(7-8-19-3)12(15)9-20(16,17)18/h4-6H,7-9H2,1-3H3,(H,16,17,18) | |
RVSCDWJKJDBFRS-UHFFFAOYSA-N | |
C13H19NO5S | |
301.098393708 | |
O=C(N(C=1C(=CC=CC1C)C)CCOC)CS(=O)(=O)O |
External Identifier | Value |
---|---|
83484 | |
86290104 | |
28290251 |
Name | Value |
---|---|
AU204305 | |
2015.12.04 | |
Nikiforos Alygizakis, Nikolaos Thomaidis, University of Athens | |
CC BY-SA | |
Copyright (C) 2015 Department of Chemistry, University of Athens | |
301.0983937 | |
Bruker maXis Impact | |
LC-ESI-QTOF | |
MS2 | |
ESI | |
CID | |
50 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 | |
5.3 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 | |
Peaks with additional N2/O included | |
RMassBank 2.0.3 | |
positive | |
2.141471082414405 | |
0.7723724277015958 | |
302.1057 | |
[M+H]+ | |
2.1969396803519188 ppm | |
-6.637079999904927E-4 Da |