Dataset

AcetylCarnitine; LC-ESI-QFT; MS2; POSITIVE; generated fron DDA dataset

This MassBank record with Accession MSBNK-SMB_Measured-HSA001P0204000 contains the MS2 mass spectrum of AcetylCarnitine with the InChIkey RDHQFKQIGNGIED-QMMMGPOBSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C9H17NO4/c1-7(11)14-8(5-9(12)13)6-10(2,3)4/h8H,5-6H2,1-4H3/t8-/m0/s1
SMILES CC(=O)O[C@@H](CC(=O)[O-])C[N+](C)(C)C
InChI Key RDHQFKQIGNGIED-QMMMGPOBSA-N
Molecular Formula C9H17NO4
Exact Mass 203.116 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-SMB_Measured-HSA001P0204000
Version
Author
Maintainer
Language
MetadataPublished 2023-12-15
Related Molecule
  • (3S)-3-acetyloxy-4-(trimethylazaniumyl)butanoate
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    CHEBI:86045 chebi
    LMFA07070049 lipidmaps
    677128 surechembl
    18230 pubchem
    521T0J13MA fdasrs
    PD051721 probes_and_drugs
    DITLEX CCDC
    110496 brenda
    50378 brenda
    HMDB0240771 hmdb
    Molport-046-850-819 molport
    The data in this table is sourced from UniChem at EBI.