Name | Value |
---|---|
InChI=1S/C9H17N5S/c1-5-10-7-12-8(11-6(2)3)14-9(13-7)15-4/h6H,5H2,1-4H3,(H2,10,11,12,13,14) | |
RQVYBGPQFYCBGX-UHFFFAOYSA-N | |
C9H17N5S | |
227.120466544 | |
N=1C(=NCC)NC(=NC(C)C)NC1SC |
External Identifier | Value |
---|---|
834-12-8 | |
22472 | |
C18700 | |
13263 | |
12705 |
Name | Value |
---|---|
AU261305 | |
2019.05.30 | |
Nikiforos Alygizakis, Katerina Galani, Nikolaos Thomaidis, University of Athens | |
CC BY | |
Copyright (C) 2019 Department of Chemistry, University of Athens | |
227.1204665 | |
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 | |
9.171 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 | |
2.438286201284856 | |
0.7317336597556714 | |
228.1277 | |
[M+H]+ | |
3.2286478143854467 ppm | |
-7.365440000057788E-4 Da |