4-Trimethylammoniobutanoate

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Systematic / IUPAC Name: 3-Carboxypropyl(trimethyl)azanium

ID: Reference14076

Other Names: Deoxycarnitine;
AA-3136

Formula: C7H16NO2 +

Class: Endogenous Metabolites

Spectral Data

4-Trimethylammoniobutanoate 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 ID-X with ETD_Cal Gateshead
No. of Spectral Trees 1
No. of Spectra 175
Tandem Spectra MS1, MS2
Ionization Methods NSI
Analyzers FT
Last Modification 10/2/2026 4:09:59 PM
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Identificators

InChI InChI=1S/C7H15NO2/c1-8(2,3)6-4-5-7(9)10/h4-6H2,1-3H3/p+1
InChI Key JHPNVNIEXXLNTR-UHFFFAOYSA-O
Canonical SMILES C[N+](C)(C)CCCC(=O)O
CAS
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Other Names Deoxycarnitine;
AA-3136

In Other Databases

PubChem 134
KEGG C01181
ChemSpider 131
ChEBI CHEBI:1941