Dataset

5-Methylbenzotriazole

This MassBank record with Accession MSBNK-Antwerp_Univ-AN124827 contains the MS2 mass spectrum of 5-Methylbenzotriazole with the InChIkey LRUDIIUSNGCQKF-UHFFFAOYSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C7H7N3/c1-5-2-3-6-7(4-5)9-10-8-6/h2-4H,1H3,(H,8,9,10)
SMILES CC1=CC2=NNN=C2C=C1
InChI Key LRUDIIUSNGCQKF-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-AN124827
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T09:32:43.632669
MetadataModified 2024-01-11T09:32:43.778641
MetadataPublished 2021-08-13
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
DTXSID1038743 EPA CompTox Dashboard
MCULE-5513675173 Mcule
ZINC000000406978 ZINC
83455 ChEBI
DUGCUG CCDC
J6.123I Nikkaji
O9DI72TU6U FDA SRS
CB1102752 ChemicalBook
487463 eMolecules
14916056 PubChem: Thomson Pharma
15119966 PubChem: Thomson Pharma
8705 PubChem
CHEMBL2148100 ChEMBL
SCHEMBL103309 SureChEMBL
The data in this table is sourced from UniChem at EBI.