Dataset

5-Methyl-1H-benzotriazole

This MassBank record with Accession MSBNK-UFZ-UA008502 contains the MS2 mass spectrum of 5-Methyl-1H-benzotriazole 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 Cc1ccc2c(c1)[nH]nn2
InChI Key LRUDIIUSNGCQKF-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-UFZ-UA008502
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T21:40:21.827449
MetadataModified 2025-02-09T19:46:50.704568
MetadataPublished 2017-08-17
Related Molecule
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
O9DI72TU6U FDA SRS
83455 ChEBI
DTXSID1038743 EPA CompTox Dashboard
DUGCUG CCDC
J6.123I Nikkaji
MCULE-5513675173 Mcule
ZINC000000406978 ZINC
CB1102752 ChemicalBook
SCHEMBL103309 SureChEMBL
14916056 PubChem: Thomson Pharma
CHEMBL2148100 ChEMBL
8705 PubChem
15119966 PubChem: Thomson Pharma
487463 eMolecules
The data in this table is sourced from UniChem at EBI.