Name | Value |
---|---|
InChI=1S/C12H20N2O3S/c1-9(2)13-8-12(15)10-4-6-11(7-5-10)14-18(3,16)17/h4-7,9,12-15H,8H2,1-3H3 | |
ZBMZVLHSJCTVON-UHFFFAOYSA-N | |
C12H20N2O3S | |
272.11946349999994 | |
O=S(=O)(NC1=CC=C(C=C1)C(O)CNC(C)C)C |
External Identifier | Value |
---|---|
959-24-0 | |
63622 | |
C07309 | |
5253 | |
5063 |
Name | Value |
---|---|
2019.05.31 | |
AU238303 | |
Nikiforos Alygizakis, Katerina Galani, Nikolaos Thomaidis, University of Athens | |
CC BY | |
Copyright (C) 2019 Department of Chemistry, University of Athens | |
272.1194635 | |
Bruker maXis Impact | |
LC-ESI-QTOF | |
MS2 | |
ESI | |
CID | |
30 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 | |
2.824 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 | |
RMassBank 2.10.1 | |
positive | |
1.723062100724999 | |
0.6081653202501683 | |
273.1267 | |
[M+H]+ | |
2.6855668080427013 ppm | |
-7.334999999102365E-4 Da |