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
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MetadataPublished 2023-12-15
Related Molecule
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    Measurement Technique liquid chromatography-mass spectrometry
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    SCHEMBL677128 SureChEMBL
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    86045 ChEBI
    DITLEX CCDC
    LMFA07070049 LipidMaps
    HMDB0240771 Human Metabolome Database
    50378 Brenda
    110496 Brenda
    MTBLC86045 Metabolights
    DTXSID90196007 EPA CompTox Dashboard
    14748736 PubChem: Thomson Pharma
    4398-79-2 ACToR
    80004821 NMRShiftDB
    PD051721 ProbesDrugs
    521T0J13MA FDA SRS
    The data in this table is sourced from UniChem at EBI.