Dataset

4-Hydroxybenzotriazole; LC-ESI-ITFT; MS2; CE: 55; R=15000; [M-H]-

This MassBank record with Accession MSBNK-UFZ-UF420151 contains the MS2 mass spectrum of 4-Hydroxybenzotriazole 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 C1=CC2=NNN=C2C(=C1)O
InChI Key JMTMSDXUXJISAY-UHFFFAOYSA-N
Molecular Formula C6H5N3O
Exact Mass 135.043 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-UF420151
Version
Author
Maintainer
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MetadataPublished 2017-01-05
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.