Dataset

Palmitoyl-L-Carnitine

This MassBank record with Accession MSBNK-BGC_Munich-RP025001 contains the MS2 mass spectrum of Palmitoyl-L-Carnitine with the InChIkey XOMRRQXKHMYMOC-OAQYLSRUSA-N.

Chemical Info

InChI	InChI=1S/C23H45NO4/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-23(27)28-21(19-22(25)26)20-24(2,3)4/h21H,5-20H2,1-4H3/t21-/m1/s1
SMILES	CCCCCCCCCCCCCCCC(=O)O[C@H](CC(=O)[O-])C[N+](C)(C)C
InChI Key	XOMRRQXKHMYMOC-OAQYLSRUSA-N
Molecular Formula	C23H45NO4
Exact Mass	399.335 g/mol

Data and Resources

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Metadata Information

Field	Value
DOI
License URL	https://creativecommons.org/licenses/by/4.0
Source	https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-BGC_Munich-RP025001
Version
Author
Maintainer
Language
MetadataCreated	2024-01-11T12:31:41.958752
MetadataModified	2025-02-09T08:44:51.402583
MetadataPublished	2017-10-27

Field	Value
Measurement Technique	liquid chromatography-mass spectrometry
Measurement Variables

Data-Source Molecule ID	Data-Source
C02990	KEGG Ligand
SLM:000001044	SwissLipids
HY-113147	MedChemExpress
50537024	BindingDB
LMFA07070004	LipidMaps
CHEMBL3392050	ChEMBL
SCHEMBL116634	SureChEMBL
17490	ChEBI
50767	Brenda
111144	Brenda
111157	Brenda
20868	Brenda
HMDB0000222	Human Metabolome Database
126783	Brenda
17490	Rhea
MTBLC17490	Metabolights
7221	Brenda
PD101999	ProbesDrugs
2364-67-2	ACToR
60020886	NMRShiftDB
pmtcrn	Recon
11953816	PubChem
1G38O5K038	FDA SRS
The data in this table is sourced from UniChem at EBI.