Dataset

ISOPROPYL PROPIONATE; EI-B; MS

This MassBank record with Accession MSBNK-Fac_Eng_Univ_Tokyo-JP001496 contains the MS mass spectrum of ISOPROPYL PROPIONATE with the InChIkey IJMWOMHMDSDKGK-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C6H12O2/c1-4-6(7)8-5(2)3/h5H,4H2,1-3H3
SMILES CCC(=O)OC(C)C
InChI Key IJMWOMHMDSDKGK-UHFFFAOYSA-N
Molecular Formula C6H12O2
Exact Mass 116.084 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-JP001496
Version
Author
Maintainer
Language
MetadataPublished 2016-01-19
Related Molecule
  • propan-2-yl propanoate
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    HMDB0030056 Human Metabolome Database
    12508 PubChem
    CB0318950 ChemicalBook
    15188730 PubChem: Thomson Pharma
    884956 eMolecules
    637-78-5 ACToR
    NGB0AK08T9 FDA SRS
    J47.182H Nikkaji
    MCULE-6546381101 Mcule
    89827 ChEBI
    DTXSID6060927 EPA CompTox Dashboard
    ZINC000002031573 ZINC
    SCHEMBL128684 SureChEMBL
    20097639 NMRShiftDB
    The data in this table is sourced from UniChem at EBI.