Dataset

HEXANOIC ACID ISOPENTYL ESTER; EI-B; MS

This MassBank record with Accession MSBNK-Fac_Eng_Univ_Tokyo-JP005307 contains the MS mass spectrum of HEXANOIC ACID ISOPENTYL ESTER with the InChIkey XVSZRAWFCDHCBP-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C11H22O2/c1-4-5-6-7-11(12)13-9-8-10(2)3/h10H,4-9H2,1-3H3
SMILES CCCCCC(=O)OCCC(C)C
InChI Key XVSZRAWFCDHCBP-UHFFFAOYSA-N
Molecular Formula C11H22O2
Exact Mass 186.162 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-JP005307
Version
Author
Maintainer
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MetadataPublished 2016-01-19
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    595527 eMolecules
    60031580 NMRShiftDB
    CHEMBL4647691 ChEMBL
    2198-61-0 ACToR
    694171CHWH FDA SRS
    CB8683308 ChemicalBook
    HMDB0033618 Human Metabolome Database
    MTBLC87542 Metabolights
    LMFA07010760 LipidMaps
    SCHEMBL873505 SureChEMBL
    ZINC000002038799 ZINC
    87542 ChEBI
    DTXSID7062245 EPA CompTox Dashboard
    J59.812G Nikkaji
    16617 PubChem
    MCULE-8207163347 Mcule
    The data in this table is sourced from UniChem at EBI.