Dataset

4-Hydroxy-1H-benzotriazole; LC-ESI-QTOF; MS2; 130 V

This MassBank record with Accession MSBNK-BAFG-CSL2311094584 contains the MS2 mass spectrum of 4-Hydroxy-1H-benzotriazole with the InChIkey JMTMSDXUXJISAY-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C6H5N3O/c10-5-3-1-2-4-6(5)8-9-7-4/h1-3,10H,(H,7,8,9)
SMILES c1cc2c(c(c1)O)[nH]nn2
InChI Key JMTMSDXUXJISAY-UHFFFAOYSA-N
Molecular Formula C6H5N3O
Exact Mass 135.043 g/mol

Data and Resources

Metadata Information

Field Value
DOI
License URL
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-BAFG-CSL2311094584
Version
Author
Maintainer
Language
MetadataPublished 2023-11-09
Related Molecule
  • 2H-benzotriazol-4-ol
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    5759096 eMolecules
    525301 eMolecules
    56393346 PubChem: Thomson Pharma
    14747712 PubChem: Thomson Pharma
    SCHEMBL18306 SureChEMBL
    PD148428 ProbesDrugs
    DTXSID90374722 EPA CompTox Dashboard
    CB2760065 ChemicalBook
    135399369 PubChem
    J3.401.599F Nikkaji
    ZINC000002571481 ZINC
    The data in this table is sourced from UniChem at EBI.