Dataset

3,7-DIMETHYL-2,6-OCTADIENAL(CIS); EI-B; MS

This MassBank record with Accession MSBNK-Fac_Eng_Univ_Tokyo-JP000123 contains the MS mass spectrum of 3,7-DIMETHYL-2,6-OCTADIENAL(CIS) with the InChIkey WTEVQBCEXWBHNA-YFHOEESVSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C10H16O/c1-9(2)5-4-6-10(3)7-8-11/h5,7-8H,4,6H2,1-3H3/b10-7-
SMILES O=CC=C(C)CCC=C(C)C
InChI Key WTEVQBCEXWBHNA-YFHOEESVSA-N
Molecular Formula C10H16O
Exact Mass 152.120 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-JP000123
Version
Author
Maintainer
Language
MetadataPublished 2016-01-19
Related Molecule
  • (2Z)-3,7-dimethylocta-2,6-dienal
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    643779 PubChem
    15120192 PubChem: Thomson Pharma
    8M466BQL1X FDA SRS
    141-27-5 ACToR
    106-26-3 ACToR
    5392-40-5 ACToR
    SCHEMBL21491 SureChEMBL
    10016284 NMRShiftDB
    MTBLC29020 Metabolights
    163777 Brenda
    DTXSID60881216 EPA CompTox Dashboard
    ZINC000012358789 ZINC
    149404 Brenda
    15885 Brenda
    106836 Brenda
    J3.242E Nikkaji
    PAMFAN CCDC
    HMDB0035092 Human Metabolome Database
    NERAL rxnorm
    LMPR0102010006 LipidMaps
    29020 Rhea
    C09847 KEGG Ligand
    29020 ChEBI
    The data in this table is sourced from UniChem at EBI.