Name | Value |
---|---|
InChI=1S/C25H28N6O/c1-2-3-10-22-26-25(15-6-7-16-25)24(32)31(22)17-18-11-13-19(14-12-18)20-8-4-5-9-21(20)23-27-29-30-28-23/h4-5,8-9,11-14H,2-3,6-7,10,15-17H2,1H3,(H,27,28,29,30) | |
YOSHYTLCDANDAN-UHFFFAOYSA-N | |
C25H28N6O | |
428.232459516 | |
O=C1N(C(=NC12CCCC2)CCCC)CC3=CC=C(C=C3)C4=CC=CC=C4C=5N=NNN5 |
External Identifier | Value |
---|---|
138402-11-6 | |
5959 | |
D00523 | |
3749 | |
3618 |
Name | Value |
---|---|
2015.12.03 | |
AU209405 | |
Nikiforos Alygizakis, Nikolaos Thomaidis, University of Athens | |
CC BY-SA | |
Copyright (C) 2015 Department of Chemistry, University of Athens | |
428.2324595 | |
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 | |
9.1 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 | |
1.4178909982840873 | |
0.5113960779363886 | |
429.2397 | |
[M+H]+ | |
1.699553885576061 ppm | |
-7.295159999785028E-4 Da |