Hexanoylcarnitine

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Systematic / IUPAC Name: 3-Carboxy-2-(hexanoyloxy)-N,N,N-trimethyl-1-propanaminium

ID: Reference883

Other Names: 3-(Hexanoyloxy)-4-(trimethylammonio)butanoate;
Hexanoyl DL-carnitine

Formula: C13H26NO4 +

Class: Endogenous Metabolites

Spectral Data

Hexanoylcarnitine mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.

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Available MS Data

Used Instruments Orbitrap Elite
No. of Spectral Trees 1
No. of Spectra 126
Tandem Spectra MS1, MS2, MS3
Ionization Methods ESI
Analyzers FT
Last Modification 3/24/2015 10:01:29 AM
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Identificators

InChI InChI=1S/C13H25NO4/c1-5-6-7-8-13(17)18-11(9-12(15)16)10-14(2,3)4/h11H,5-10H2,1-4H3
InChI Key VVPRQWTYSNDTEA-UHFFFAOYSA-N
Canonical SMILES CCCCCC(=O)OC(CC(=O)[O-])C[N+](C)(C)C
CAS 14919347
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Other Names 3-(Hexanoyloxy)-4-(trimethylammonio)butanoate;
Hexanoyl DL-carnitine

In Other Databases

HMDb HMDB00705
ChEBI CHEBI:70749
ChemSpider 2339561
PubChem 6426853