Name | Value |
---|---|
InChI=1S/C6H4ClN3/c7-10-6-4-2-1-3-5(6)8-9-10/h1-4H | |
INOGLHRUEYDAHX-UHFFFAOYSA-N | |
C6H4ClN3 | |
153.009374808 | |
ClN1N=NC=2C=CC=CC21 |
External Identifier | Value |
---|---|
21050-95-3 | |
88761 | |
80093 |
Name | Value |
---|---|
AU405501 | |
2016.02.22 | |
Nikiforos Alygizakis, Reza Aalizadeh, Nikolaos Thomaidis, University of Athens | |
CC BY | |
Copyright (C) 2016 Department of Chemistry, University of Athens | |
153.0093748 | |
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 | |
6.417 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 1.99.10 | |
positive | |
0.7295349780846525 | |
0.5262482475188834 | |
154.0167 | |
[M+H]+ | |
4.186610932477482 ppm | |
-6.448080000041045E-4 Da |