Dataset

ETHYL CROTONATE; EI-B; MS

This MassBank record with Accession MSBNK-Fac_Eng_Univ_Tokyo-JP006827 contains the MS mass spectrum of ETHYL CROTONATE with the InChIkey ZFDIRQKJPRINOQ-HWKANZROSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C6H10O2/c1-3-5-6(7)8-4-2/h3,5H,4H2,1-2H3/b5-3+
SMILES CC=CC(=O)OCC
InChI Key ZFDIRQKJPRINOQ-HWKANZROSA-N
Molecular Formula C6H10O2
Exact Mass 114.068 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-JP006827
Version
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Maintainer
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MetadataPublished 2016-01-19
Related Molecule
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    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    ZINC000001680395 ZINC
    DTXSID5057591 EPA CompTox Dashboard
    173393 ChEBI
    CB2241197 ChemicalBook
    J43.537F Nikkaji
    CHEMBL3273403 ChEMBL
    J161.352I Nikkaji
    CB5241198 ChemicalBook
    481582 eMolecules
    99YUC7A1X1 FDA SRS
    623-70-1 ACToR
    16901602 PubChem: Thomson Pharma
    10544-63-5 ACToR
    429065 PubChem
    SCHEMBL24483 SureChEMBL
    10015845 NMRShiftDB
    The data in this table is sourced from UniChem at EBI.