Name | Value |
---|---|
InChI=1S/C20H22N8O5/c1-28(9-11-8-23-17-15(24-11)16(21)26-20(22)27-17)12-4-2-10(3-5-12)18(31)25-13(19(32)33)6-7-14(29)30/h2-5,8,13H,6-7,9H2,1H3,(H,25,31)(H,29,30)(H,32,33)(H4,21,22,23,26,27)/t13-/m0/s1 | |
FBOZXECLQNJBKD-ZDUSSCGKSA-N | |
C20H22N8O5 | |
454.17131580399996 | |
O=C(O)CCC(NC(=O)C1=CC=C(C=C1)N(C)CC2=NC=3C(N=C2)=NC(=N)NC3N)C(=O)O |
External Identifier | Value |
---|---|
59-05-2 | |
44185 | |
C01937 | |
126941 | |
112728 |
Name | Value |
---|---|
AU273001 | |
2019.05.30 | |
Nikiforos Alygizakis, Katerina Galani, Nikolaos Thomaidis, University of Athens | |
CC BY | |
Copyright (C) 2019 Department of Chemistry, University of Athens | |
454.1713158 | |
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 | |
3.938 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 | |
0.9437614028933959 | |
0.5267232678837173 | |
455.1786 | |
[M+H]+ | |
1.5066701289183875 ppm | |
-6.858039999428911E-4 Da |