Dataset

9(Z),12(Z)-octadecadienoyl-L-carnitine

This MassBank record with Accession MSBNK-Antwerp_Univ-METOX_N101306_F638 contains the MS2 mass spectrum of 9(Z),12(Z)-octadecadienoyl-L-carnitine with the InChIkey MJLXQSQYKZWZCB-UHFFFAOYSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C25H45NO4/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-25(29)30-23(21-24(27)28)22-26(2,3)4/h9-10,12-13,23H,5-8,11,14-22H2,1-4H3
SMILES CCCCCC=CCC=CCCCCCCCC(=O)OC(CC(=O)[O-])C[N+](C)(C)C
InChI Key MJLXQSQYKZWZCB-UHFFFAOYSA-N
Molecular Formula C25H45NO4
Exact Mass 423.335 g/mol

Data and Resources

Metadata Information

Field Value
DOI
License URL
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Antwerp_Univ-METOX_N101306_F638
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T09:29:55.912255
MetadataModified 2024-01-11T09:29:56.109111
MetadataPublished 2022-04-07
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
75598966 PubChem
181891 ChEBI
The data in this table is sourced from UniChem at EBI.