Dataset

Butyryl carnitine (isomer of 920); LC-ESI-QTOF; MS2

This MassBank record with Accession MSBNK-RIKEN-PR311166 contains the MS2 mass spectrum of Butyryl carnitine (isomer of 920) with the InChIkey LRCNOZRCYBNMEP-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C11H21NO4/c1-8(2)11(15)16-9(6-10(13)14)7-12(3,4)5/h8-9H,6-7H2,1-5H3
SMILES O=C([O-])CC(OC(=O)C(C)C)C[N+](C)(C)C
InChI Key LRCNOZRCYBNMEP-UHFFFAOYSA-N
Molecular Formula C11H21NO4
Exact Mass 231.292 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-RIKEN-PR311166
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MetadataPublished 2019-03-28
Related Molecule
  • 3-(2-methylpropanoyloxy)-4-(trimethylazaniumyl)butanoate
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    10177002 PubChem
    15172401 PubChem: Thomson Pharma
    73017 ChEBI
    PD044032 ProbesDrugs
    MTBLC73017 Metabolights
    LMFA07070075 LipidMaps
    SCHEMBL234697 SureChEMBL
    The data in this table is sourced from UniChem at EBI.