Dataset

PALMITOYLCARNITINE

This MassBank record with Accession MSBNK-Antwerp_Univ-METOX_P100601_F638 contains the MS2 mass spectrum of PALMITOYLCARNITINE with the InChIkey XOMRRQXKHMYMOC-OAQYLSRUSA-N.

Chemical Info

molecular Image
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

Metadata Information

Field Value
DOI
License URL
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Antwerp_Univ-METOX_P100601_F638
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T09:33:25.109482
MetadataModified 2024-01-11T09:33:25.290898
MetadataPublished 2021-12-10
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
17490 ChEBI
SCHEMBL116634 SureChEMBL
PD101999 ProbesDrugs
2364-67-2 ACToR
60020886 NMRShiftDB
pmtcrn Recon
11953816 PubChem
1G38O5K038 FDA SRS
SLM:000001044 SwissLipids
126783 Brenda
17490 Rhea
HMDB0000222 Human Metabolome Database
20868 Brenda
111157 Brenda
111144 Brenda
50767 Brenda
7221 Brenda
MTBLC17490 Metabolights
LMFA07070004 LipidMaps
CHEMBL3392050 ChEMBL
50537024 BindingDB
HY-113147 MedChemExpress
C02990 KEGG Ligand
The data in this table is sourced from UniChem at EBI.