Dataset

Hexanamide; LC-ESI-QFT; MS2; CE: 45%; R=15000; [M+H]+

This MassBank record with Accession MSBNK-Eawag-EQ01061903 contains the MS2 mass spectrum of Hexanamide with the InChIkey ALBYIUDWACNRRB-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C6H13NO/c1-2-3-4-5-6(7)8/h2-5H2,1H3,(H2,7,8)
SMILES CCCCCC(=O)N
InChI Key ALBYIUDWACNRRB-UHFFFAOYSA-N
Molecular Formula C6H13NO
Exact Mass 115.100 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-EQ01061903
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MetadataPublished 2024-06-14
Related Molecule
  • hexanamide
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    PD014791 ProbesDrugs
    15119794 PubChem: Thomson Pharma
    100358-60-9 ACToR
    628-02-4 ACToR
    12332 PubChem
    495439 eMolecules
    R0YX4OJ6TW FDA SRS
    SCHEMBL9392 SureChEMBL
    20200114 NMRShiftDB
    142683 ChEBI
    97461 Brenda
    20174 Brenda
    126358 Brenda
    13602 Brenda
    5775 Brenda
    132721 Brenda
    CHEMBL1523958 ChEMBL
    ZZZLXS CCDC
    J6.874H Nikkaji
    ZINC000001586742 ZINC
    DTXSID6020696 EPA CompTox Dashboard
    MCULE-3215992514 Mcule
    CB0306221 ChemicalBook
    The data in this table is sourced from UniChem at EBI.