Dataset

O-Acety-L-carnitine hydrochloride, ALCAR, Levacecarnine , [(2R)-2-acetyloxy-4-hydroxy-4-oxobutyl]-trimethylazanium, (R)-3-Acetoxy-4-(trimethylammonio)butyrate, ALC, L-Carnitine acetyl ester

This MassBank record with Accession MSBNK-RIKEN_ReSpect-PT109980 contains the MS2 mass spectrum of O-Acety-L-carnitine hydrochloride, ALCAR, Levacecarnine , [(2R)-2-acetyloxy-4-hydroxy-4-oxobutyl]-trimethylazanium, (R)-3-Acetoxy-4-(trimethylammonio)butyrate, ALC, L-Carnitine acetyl ester with the InChIkey RDHQFKQIGNGIED-UHFFFAOYSA-O.

Chemical Info

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/p+1
SMILES CC(=O)OC(CC(=O)O)C[N+](C)(C)C
InChI Key RDHQFKQIGNGIED-UHFFFAOYSA-O
Molecular Formula [C9H18NO4]+
Exact Mass 204.246 g/mol

Data and Resources

Metadata Information

Field Value
DOI
License URL https://creativecommons.org/licenses/by-nc/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-RIKEN_ReSpect-PT109980
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T21:06:52.209964
MetadataModified 2024-01-11T21:06:52.383203
MetadataPublished 2008-07-28
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
MCULE-4252227019 Mcule
PD036365 ProbesDrugs
2 PubChem
J526.835D Nikkaji
SCHEMBL3259109 SureChEMBL
J352.507D Nikkaji
CHEMBL1625375 ChEMBL
36517987 eMolecules
The data in this table is sourced from UniChem at EBI.