Name | Value |
---|---|
InChI=1S/C7H7N3/c1-5-2-3-6-7(4-5)9-10-8-6/h2-4H,1H3,(H,8,9,10) | |
LRUDIIUSNGCQKF-UHFFFAOYSA-N | |
C7H7N3 | |
133.063997224 | |
N1=NC=2C=CC(=CC2N1)C |
External Identifier | Value |
---|---|
136-85-6 | |
83455 | |
8705 | |
8381 |
Name | Value |
---|---|
2019.05.31 | |
AU241603 | |
Nikiforos Alygizakis, Katerina Galani, Nikolaos Thomaidis, University of Athens | |
CC BY | |
Copyright (C) 2019 Department of Chemistry, University of Athens | |
133.0639972 | |
Bruker maXis Impact | |
LC-ESI-QTOF | |
MS2 | |
ESI | |
CID | |
30 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 | |
5.804 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 | |
0.2461420146372683 | |
0.35510786387160564 | |
134.0713 | |
[M+H]+ | |
4.976635566172476 ppm | |
-6.672239999829799E-4 Da |