Dataset

5,6-Dimethylbenzotriazole

This MassBank record with Accession MSBNK-Antwerp_Univ-AN124909 contains the MS2 mass spectrum of 5,6-Dimethylbenzotriazole with the InChIkey MVPKIPGHRNIOPT-UHFFFAOYSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C8H9N3/c1-5-3-7-8(4-6(5)2)10-11-9-7/h3-4H,1-2H3,(H,9,10,11)
SMILES CC1=CC2=NNN=C2C=C1C
InChI Key MVPKIPGHRNIOPT-UHFFFAOYSA-N
Molecular Formula C8H9N3
Exact Mass 147.080 g/mol

Data and Resources

Metadata Information

Field Value
DOI
License URL https://creativecommons.org/licenses/by/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Antwerp_Univ-AN124909
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T09:35:48.866838
MetadataModified 2025-02-08T18:49:08.943597
MetadataPublished 2021-08-12
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
711393 eMolecules
15462049 PubChem: Thomson Pharma
4184-79-6 ACToR
SCHEMBL271074 SureChEMBL
DTXSID70881186 EPA CompTox Dashboard
J224.983I Nikkaji
ZINC000005425028 ZINC
J1.971.841G Nikkaji
MCULE-6166666559 Mcule
77849 PubChem
The data in this table is sourced from UniChem at EBI.