Dataset

METHYL BUTYRATE; EI-B; MS

This MassBank record with Accession MSBNK-Fac_Eng_Univ_Tokyo-JP006491 contains the MS mass spectrum of METHYL BUTYRATE with the InChIkey UUIQMZJEGPQKFD-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C5H10O2/c1-3-4-5(6)7-2/h3-4H2,1-2H3
SMILES CCCC(=O)OC
InChI Key UUIQMZJEGPQKFD-UHFFFAOYSA-N
Molecular Formula C5H10O2
Exact Mass 102.068 g/mol

Data and Resources

Metadata Information

Field Value
DOI
License URL https://creativecommons.org/licenses/by-nc-sa/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Fac_Eng_Univ_Tokyo-JP006491
Version
Author
Maintainer
Language
MetadataPublished 2016-01-19
Related Molecule
  • methyl butanoate
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    CHEBI:88806 chebi
    LMFA07010528 lipidmaps
    CHEMBL15859 chembl
    13685 surechembl
    12180 pubchem
    NAMVIH CCDC
    100923 brenda
    133549 brenda
    173742 brenda
    44420 brenda
    4831 brenda
    CGX598508O fdasrs
    HMDB0033890 hmdb
    DTXSID5047083 comptox
    Molport-003-927-474 molport
    The data in this table is sourced from UniChem at EBI.