Dataset

3-Amino-5-methylisoxazole; LC-ESI-QTOF; MS2; 40 V

This MassBank record with Accession MSBNK-BAFG-CSL23111016488 contains the MS2 mass spectrum of 3-Amino-5-methylisoxazole with the InChIkey FKPXGNGUVSHWQQ-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C4H6N2O/c1-3-2-4(5)6-7-3/h2H,1H3,(H2,5,6)
SMILES CC1=CC(=NO1)N
InChI Key FKPXGNGUVSHWQQ-UHFFFAOYSA-N
Molecular Formula C4H6N2O
Exact Mass 98.048 g/mol

Data and Resources

Metadata Information

Field Value
DOI
License URL
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-BAFG-CSL23111016488
Version
Author
Maintainer
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MetadataPublished 2023-11-10
Related Molecule
  • 5-methyl-1,2-oxazol-3-amine
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    M3I rcsb_pdb
    CHEMBL3183354 chembl
    21901989 surechembl
    94082 surechembl
    66172 pubchem
    G54MJS11L9 fdasrs
    PD065544 probes_and_drugs
    NOSZED CCDC
    M3I pdbe
    DTXSID9021631 comptox
    Molport-000-639-753 molport
    The data in this table is sourced from UniChem at EBI.