Spectrum AU224011 for 1-Methylbenzotriazole

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Compound Information

Chemical Names

Compound Classification (provided by ClassyFire)

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Compound Metadata

NameValue
InChI=1S/C7H7N3/c1-10-7-5-3-2-4-6(7)8-9-10/h2-5H,1H3
HXQHRUJXQJEGER-UHFFFAOYSA-N
C7H7N3
133.063997224
N1=NN(C=2C=CC=CC12)C

Mass Spectral Metadata

NameValue
AU224011
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
50 eV
35000
ACQUITY UPLC BEH Amide 1.7 um 2.1x100mm, Water
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
6.531 min
Water with 0.01% formic acid and 1mM ammonium formate
Acetonitrile:Water with 0.01% formic acid and 1mM ammonium formate
identity on assigned fragments and MS1
RMassBank 1.99.10
positive
1.1807403319465353
0.7336352168818948
134.0713
[M+H]+
4.976635566172476 ppm
-6.672239999829799E-4 Da