Dataset

4-Methylbenzotriazole

This MassBank record with Accession MSBNK-Antwerp_Univ-AN124703 contains the MS2 mass spectrum of 4-Methylbenzotriazole with the InChIkey CMGDVUCDZOBDNL-UHFFFAOYSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C7H7N3/c1-5-3-2-4-6-7(5)9-10-8-6/h2-4H,1H3,(H,8,9,10)
SMILES CC1=CC=CC2=NNN=C12
InChI Key CMGDVUCDZOBDNL-UHFFFAOYSA-N
Molecular Formula C7H7N3
Exact Mass 133.064 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-AN124703
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T09:40:41.750840
MetadataModified 2025-02-08T18:50:27.312830
MetadataPublished 2021-08-12
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
DTXSID50274037 EPA CompTox Dashboard
QKK8999IZA FDA SRS
J57.991B Nikkaji
CB4938266 ChemicalBook
CHEMBL3184205 ChEMBL
MCULE-4388838335 Mcule
ZINC000005116315 ZINC
CB2492203 ChemicalBook
29878-31-7 ACToR
122499 PubChem
15219016 PubChem: Thomson Pharma
SCHEMBL107037 SureChEMBL
15946474 PubChem: Thomson Pharma
3716888 eMolecules
The data in this table is sourced from UniChem at EBI.