Dataset

3-amino-5-methylisoxazole; LC-ESI-QTOF; MS2; CE: 20 eV; R=30000-60000; [M+H]+

This MassBank record with Accession MSBNK-UvA_IBED-UI000301 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 Cc1cc(N)no1
InChI Key FKPXGNGUVSHWQQ-UHFFFAOYSA-N
Molecular Formula C4H6N2O
Exact Mass 98.048 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-UvA_IBED-UI000301
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Maintainer
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MetadataPublished 2024-08-27
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
    20044506 NMRShiftDB
    66172 PubChem
    MCULE-4538523254 Mcule
    J80.140B Nikkaji
    SCHEMBL21901989 SureChEMBL
    NOSZED CCDC
    ZINC000016981047 ZINC
    DTXSID9021631 EPA CompTox Dashboard
    SCHEMBL94082 SureChEMBL
    CHEMBL3183354 ChEMBL
    CB5397215 ChemicalBook
    15218728 PubChem: Thomson Pharma
    16178001 PubChem: Thomson Pharma
    G54MJS11L9 FDA SRS
    PD065544 ProbesDrugs
    M3I PDBe
    490332 eMolecules
    1072-67-9 ACToR
    The data in this table is sourced from UniChem at EBI.