Dataset

5-Chlorobenzotriazole

This MassBank record with Accession MSBNK-Antwerp_Univ-AN125001 contains the MS2 mass spectrum of 5-Chlorobenzotriazole with the InChIkey PZBQVZFITSVHAW-UHFFFAOYSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C6H4ClN3/c7-4-1-2-5-6(3-4)9-10-8-5/h1-3H,(H,8,9,10)
SMILES C1=CC2=NNN=C2C=C1Cl
InChI Key PZBQVZFITSVHAW-UHFFFAOYSA-N
Molecular Formula C6H4ClN3
Exact Mass 153.009 g/mol

Data and Resources

Metadata Information

Field Value
DOI
License URL
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Antwerp_Univ-AN125001
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T09:30:03.777822
MetadataModified 2024-01-11T09:30:03.941610
MetadataPublished 2021-08-12
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
37052117 eMolecules
535911 eMolecules
21963378 PubChem: Thomson Pharma
16020087 PubChem: Thomson Pharma
SCHEMBL203784 SureChEMBL
CB9408580 ChemicalBook
8C7O46G78K FDA SRS
ZINC000005425428 ZINC
DTXSID0047450 EPA CompTox Dashboard
50498200 BindingDB
CHEMBL3187395 ChEMBL
J38.323F Nikkaji
MCULE-6088917331 Mcule
66760 PubChem
20200898 NMRShiftDB
The data in this table is sourced from UniChem at EBI.