Dataset

4-Methylbenzotriazole

This MassBank record with Accession MSBNK-Antwerp_Univ-AN124711 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
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Antwerp_Univ-AN124711
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T09:30:08.699577
MetadataModified 2024-01-11T09:30:08.868520
MetadataPublished 2021-08-13
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
CB2492203 ChemicalBook
QKK8999IZA FDA SRS
DTXSID50274037 EPA CompTox Dashboard
CB4938266 ChemicalBook
ZINC000005116315 ZINC
J57.991B Nikkaji
MCULE-4388838335 Mcule
CHEMBL3184205 ChEMBL
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.