Dataset

1-Hydroxybenzotriazole; LC-ESI-QFT; MS2; CE: 30; R=35000; [M-H]-

This MassBank record with Accession MSBNK-Eawag-EQ289952 contains the MS2 mass spectrum of 1-Hydroxybenzotriazole with the InChIkey ASOKPJOREAFHNY-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C6H5N3O/c10-9-6-4-2-1-3-5(6)7-8-9/h1-4,10H
SMILES C1=CC=C2C(=C1)N=NN2O
InChI Key ASOKPJOREAFHNY-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-Eawag-EQ289952
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MetadataPublished 2015-08-26
Related Molecule
  • 1-hydroxybenzotriazole
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    CHEMBL1389920 ChEMBL
    176967 ChEBI
    CACHAP CCDC
    DTXSID3044627 EPA CompTox Dashboard
    HMDB0243899 Human Metabolome Database
    ZINC000000058261 ZINC
    J32.434E Nikkaji
    235908 Brenda
    75771 PubChem
    A2T929DMG4 FDA SRS
    2592-95-2 ACToR
    15140963 PubChem: Thomson Pharma
    500803 eMolecules
    SCHEMBL184 SureChEMBL
    MCULE-9126749508 Mcule
    CB2420172 ChemicalBook
    36583 Brenda
    The data in this table is sourced from UniChem at EBI.