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 |
---|---|
ESI | |
Bruker maXis Impact | |
AU405552 | |
2016.02.25 | |
Nikiforos Alygizakis, Reza Aalizadeh, Nikolaos Thomaidis, University of Athens | |
CC BY | |
Copyright (C) 2016 Department of Chemistry, University of Athens | |
153.0093748 | |
LC-ESI-QTOF | |
MS2 | |
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 | |
6.301 min | |
90:10 water:methanol with 5mM ammonium acetate | |
methanol with 5mM ammonium acetate | |
identity on assigned fragments and MS1 | |
RMassBank 1.99.10 | |
negative | |
0.6762009050997273 | |
0.6155045889023432 | |
152.0021 | |
[M-H]- | |
0.00784199700768209 ppm | |
1.192000013361394E-6 Da |