Name | Value |
---|---|
InChI=1S/C18H34N2O6S/c1-5-6-10-7-11(20(3)8-10)17(25)19-12(9(2)21)16-14(23)13(22)15(24)18(26-16)27-4/h9-16,18,21-24H,5-8H2,1-4H3,(H,19,25)/t9-,10-,11+,12-,13+,14-,15-,16-,18-/m1/s1 | |
OJMMVQQUTAEWLP-KIDUDLJLSA-N | |
C18H34N2O6S | |
406.21375780799997 | |
OC(=NC(C(O)C)C1OC(SC)C(O)C(O)C1O)C2N(C)CC(CCC)C2 |
External Identifier | Value |
---|---|
154-21-2 | |
6472 | |
D00223 | |
3000540 | |
2272112 |
Name | Value |
---|---|
AU118002 | |
2019.05.30 | |
Nikiforos Alygizakis, Katerina Galani, Nikolaos Thomaidis, University of Athens | |
CC BY | |
Copyright (C) 2019 Department of Chemistry, University of Athens | |
406.2137578 | |
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 | |
3.920 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 | |
1.4623195587129292 | |
0.570116347310712 | |
407.221 | |
[M+H]+ | |
1.7872555687577014 ppm | |
-7.278079999650799E-4 Da |