Dataset

trans-2-octenoyl-L-carnitine; LC-ESI-QTOF; MS2; CE: 20eV; R=5000; [M+H]+

This MassBank record with Accession MSBNK-Antwerp_Univ-METOX_P102601_EF88 contains the MS2 mass spectrum of trans-2-octenoyl-L-carnitine with the InChIkey LOSHAHDSFZXVCT-MDZDMXLPSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C15H27NO4/c1-5-6-7-8-9-10-15(19)20-13(11-14(17)18)12-16(2,3)4/h9-10,13H,5-8,11-12H2,1-4H3/b10-9+
SMILES O=C(OC(CC([O-])=O)C[N+](C)(C)C)/C=C/CCCCC
InChI Key LOSHAHDSFZXVCT-MDZDMXLPSA-N
Molecular Formula C15H27NO4
Exact Mass 285.194 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-Antwerp_Univ-METOX_P102601_EF88
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MetadataPublished 2021-12-10
Related Molecule
  • 3-[(E)-oct-2-enoyl]oxy-4-(trimethylazaniumyl)butanoate
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    73037 ChEBI
    MTBLC73037 Metabolights
    HMDB0240750 Human Metabolome Database
    SCHEMBL288759 SureChEMBL
    LMFA07070014 LipidMaps
    71464472 PubChem
    The data in this table is sourced from UniChem at EBI.