Dataset

Nonanal; GC-APCI-QTOF; MS2; CE: 10 eV; R=35000; [M+H]+

This MassBank record with Accession MSBNK-Athens_Univ-AU503001 contains the MS2 mass spectrum of Nonanal with the InChIkey GYHFUZHODSMOHU-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C9H18O/c1-2-3-4-5-6-7-8-9-10/h9H,2-8H2,1H3
SMILES CCCCCCCCC=O
InChI Key GYHFUZHODSMOHU-UHFFFAOYSA-N
Molecular Formula C9H18O
Exact Mass 142.136 g/mol

Data and Resources

Metadata Information

Field Value
DOI
License URL https://creativecommons.org/licenses/by/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Athens_Univ-AU503001
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Author
Maintainer
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MetadataPublished 2021-04-19
Related Molecule
  • nonanal
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    508534 eMolecules
    14891580 PubChem: Thomson Pharma
    75718-12-6 ACToR
    124-19-6 ACToR
    2L2WBY9K6T FDA SRS
    PD166592 ProbesDrugs
    60018931 NMRShiftDB
    SCHEMBL22860 SureChEMBL
    CHEMBL2228376 ChEMBL
    84268 ChEBI
    J5.547F Nikkaji
    9497 Brenda
    NONANAL rxnorm
    2091 Brenda
    DTXSID9021639 EPA CompTox Dashboard
    LMFA06000040 LipidMaps
    8414 Brenda
    106879 Brenda
    ZINC000001686990 ZINC
    140429 Brenda
    HMDB0059835 Human Metabolome Database
    MTBLC84268 Metabolights
    CB2667328 ChemicalBook
    84268 Rhea
    31289 PubChem
    The data in this table is sourced from UniChem at EBI.