Dataset

5-Chlorobenzotriazole

This MassBank record with Accession MSBNK-Athens_Univ-AU230802 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 ClC1=CC2=NNN=C2C=C1
InChI Key PZBQVZFITSVHAW-UHFFFAOYSA-N
Molecular Formula C6H4ClN3
Exact Mass 153.009 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-Athens_Univ-AU230802
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T09:48:22.554337
MetadataModified 2025-02-08T19:11:11.213577
MetadataPublished 2019-04-08
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
DTXSID0047450 EPA CompTox Dashboard
CHEMBL3187395 ChEMBL
ZINC000005425428 ZINC
50498200 BindingDB
J38.323F Nikkaji
MCULE-6088917331 Mcule
66760 PubChem
20200898 NMRShiftDB
The data in this table is sourced from UniChem at EBI.