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 |
---|---|
AU405109 | |
2016.02.26 | |
Nikiforos Alygizakis, Nikolaos Thomaidis, University of Athens | |
CC BY | |
Copyright (C) 2016 Department of Chemistry, University of Athens | |
133.0639972 | |
Bruker maXis Impact | |
LC-ESI-QTOF | |
MS2 | |
ESI | |
CID | |
30 eV | |
35000 | |
ACQUITY UPLC BEH Amide 1.7 um 2.1x100 mm, Waters | |
0/100 at 0-2 min, 95/5 at 12 min, 95/5 at 17 min, 0/100 at 17.1, 0/100 at 25 min | |
200 uL/min | |
1.566 min | |
Water with 0.01% formic acid and 1mM ammonium formate | |
Acetonitrile:Water 95:5 with 0.01 formic acid and 1mM ammonium formate | |
identity on assigned fragments and MS1 | |
RMassBank 1.99.10 | |
positive | |
0.26953767927241706 | |
0.24534376872771743 | |
134.0713 | |
[M+H]+ | |
4.976635566172476 ppm | |
-6.672239999829799E-4 Da |