Dataset

(E)-2-HEXENAL; EI-B; MS

This MassBank record with Accession MSBNK-Fac_Eng_Univ_Tokyo-JP008203 contains the MS mass spectrum of (E)-2-HEXENAL with the InChIkey MBDOYVRWFFCFHM-SNAWJCMRSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C6H10O/c1-2-3-4-5-6-7/h4-6H,2-3H2,1H3/b5-4+
SMILES CCCC([H])=C([H])C=O
InChI Key MBDOYVRWFFCFHM-SNAWJCMRSA-N
Molecular Formula C6H10O
Exact Mass 98.073 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-JP008203
Version
Author
Maintainer
Language
MetadataPublished 2016-01-19
Related Molecule
  • (E)-hex-2-enal
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    J36.838E Nikkaji
    CB51415271 ChemicalBook
    HMDB0031496 Human Metabolome Database
    J49.433J Nikkaji
    HY-128429 MedChemExpress
    2-HEXENAL, (2E)- rxnorm
    ZINC000001531148 ZINC
    LMFA06000002 LipidMaps
    28913 ChEBI
    DTXSID1041425 EPA CompTox Dashboard
    C08497 KEGG Ligand
    39164 Brenda
    104045 Brenda
    102876 Brenda
    22035 Brenda
    2599 Brenda
    174957 Brenda
    8580 Brenda
    MTBLC28913 Metabolights
    28913 Rhea
    19202 Brenda
    24597 Brenda
    152477 Brenda
    CB2164584 ChemicalBook
    CHEMBL2228570 ChEMBL
    20200202 NMRShiftDB
    SCHEMBL29822 SureChEMBL
    5281168 PubChem
    14891409 PubChem: Thomson Pharma
    6728-26-3 ACToR
    505-57-7 ACToR
    69JX3AIR1I FDA SRS
    1335-39-3 ACToR
    260409 Brenda
    PD123993 ProbesDrugs
    480707 eMolecules
    The data in this table is sourced from UniChem at EBI.