Name | Value |
---|---|
InChI=1S/C7H5NOS/c9-7-5-3-1-2-4-6(5)10-8-7/h1-4H,(H,8,9) | |
DMSMPAJRVJJAGA-UHFFFAOYSA-N | |
C7H5NOS | |
151.00918478 | |
OC1=NSC=2C=CC=CC12 |
External Identifier | Value |
---|---|
2634-33-5 | |
167099 | |
17520 | |
16567 |
Name | Value |
---|---|
2019.05.31 | |
AU286201 | |
Nikiforos Alygizakis, Katerina Galani, Nikolaos Thomaidis, University of Athens | |
CC BY | |
Copyright (C) 2019 Department of Chemistry, University of Athens | |
151.0091848 | |
Bruker maXis Impact | |
LC-ESI-QTOF | |
MS2 | |
ESI | |
CID | |
10 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 | |
5.137 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 | |
0.40320182254986825 | |
0.29084863493504337 | |
152.0165 | |
[M+H]+ | |
4.307295589562653 ppm | |
-6.547799999907511E-4 Da |