Dataset

5-Methoxy-2H-benzotriazole; LC-ESI-QFT; MS2; CE: 75%; R=15000; [M-H]-

This MassBank record with Accession MSBNK-Eawag-EQ500655 contains the MS2 mass spectrum of 5-Methoxy-2H-benzotriazole with the InChIkey SUPSFAUIWDRKKZ-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C7H7N3O/c1-11-5-2-3-6-7(4-5)9-10-8-6/h2-4H,1H3,(H,8,9,10)
SMILES COC1=CC2=NNN=C2C=C1
InChI Key SUPSFAUIWDRKKZ-UHFFFAOYSA-N
Molecular Formula C7H7N3O
Exact Mass 149.059 g/mol

Data and Resources

Metadata Information

Field Value
DOI
License URL https://creativecommons.org/licenses/by-sa/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Eawag-EQ500655
Version
Author
Maintainer
Language
MetadataPublished 2021-03-16
Related Molecule
  • 5-methoxy-2H-benzotriazole
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    ZINC000005115788 ZINC
    4317924 eMolecules
    28566-87-2 ACToR
    SCHEMBL204478 SureChEMBL
    27799-91-3 ACToR
    119717 PubChem
    SCHEMBL16178973 SureChEMBL
    DTXSID70182120 EPA CompTox Dashboard
    MCULE-2345630885 Mcule
    J99.974A Nikkaji
    The data in this table is sourced from UniChem at EBI.