Name | Value |
---|---|
InChI=1S/C9H12O2S/c1-6-4-8(10)5-7(2)9(6)12(3)11/h4-5,10H,1-3H3 | |
ZHBBDQFXEDCQFI-UHFFFAOYSA-N | |
C9H12O2S | |
184.055800624 | |
O=S(C=1C(=CC(O)=CC1C)C)C |
External Identifier | Value |
---|---|
22454-92-8 | |
3029900 | |
2295156 |
Name | Value |
---|---|
AU233803 | |
2019.05.30 | |
Nikiforos Alygizakis, Katerina Galani, Nikolaos Thomaidis, University of Athens | |
CC BY | |
Copyright (C) 2019 Department of Chemistry, University of Athens | |
184.0558006 | |
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 | |
4.641 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 | |
2.0277602648807336 | |
0.6660355790962785 | |
185.0631 | |
[M+H]+ | |
3.6237585991399786 ppm | |
-6.706240000085018E-4 Da |