Name | Value |
---|---|
InChI=1S/C8H12N2O2S/c1-10(2)13(11,12)9-8-6-4-3-5-7-8/h3-7,9H,1-2H3 | |
QCDQDISRALTLNQ-UHFFFAOYSA-N | |
C8H12N2O2S | |
200.061948624 | |
O=S(=O)(NC=1C=CC=CC1)N(C)C |
External Identifier | Value |
---|---|
4710-17-2 | |
83467 | |
78441 | |
70809 |
Name | Value |
---|---|
AU204202 | |
2015.12.09 | |
Nikiforos Alygizakis, Nikolaos Thomaidis, University of Athens | |
CC BY-SA | |
Copyright (C) 2015 Department of Chemistry, University of Athens | |
200.0619486 | |
Bruker maXis Impact | |
LC-ESI-QTOF | |
MS2 | |
ESI | |
CID | |
20 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 | |
6.1 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 | |
1.6134019597086213 | |
0.7758823354107212 | |
201.0692 | |
[M+H]+ | |
3.574013324770777 ppm | |
-7.186240000010002E-4 Da |