Dataset

Phosphocholine,1-Decanoyl-2-Hydroxy-sn-Glycero-3- , 1-decanoyl-sn-glycero-3-phosphocholine, 1-Decanoyl-2-Hydroxy-sn-Glycero-3-Phosphocholine, 10:0 LysoPC, 1-Decanoyllysolecithin, 1-Capryl-2-lysophosphatidylcholine

This MassBank record with Accession MSBNK-RIKEN_ReSpect-PS081404 contains the MS2 mass spectrum of Phosphocholine,1-Decanoyl-2-Hydroxy-sn-Glycero-3- , 1-decanoyl-sn-glycero-3-phosphocholine, 1-Decanoyl-2-Hydroxy-sn-Glycero-3-Phosphocholine, 10:0 LysoPC, 1-Decanoyllysolecithin, 1-Capryl-2-lysophosphatidylcholine with the InChIkey SECPDKKEUKDCPG-UHFFFAOYSA-N.

Chemical Info

InChI	InChI=1S/C18H38NO7P/c1-5-6-7-8-9-10-11-12-18(21)24-15-17(20)16-26-27(22,23)25-14-13-19(2,3)4/h17,20H,5-16H2,1-4H3
SMILES	CCCCCCCCCC(=O)OCC(COP(=O)([O-])OCC[N+](C)(C)C)O
InChI Key	SECPDKKEUKDCPG-UHFFFAOYSA-N
Molecular Formula	C18H38NO7P
Exact Mass	411.478 g/mol

Data and Resources

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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-PS081404
Version
Author
Maintainer
Language
MetadataCreated	2024-01-11T21:06:47.681068
MetadataModified	2024-01-11T21:06:47.842042
MetadataPublished	2009-02-09

Field	Value
Measurement Technique	liquid chromatography-mass spectrometry
Measurement Variables

Data-Source Molecule ID	Data-Source
CHEMBL114608	ChEMBL
SCHEMBL9015289	SureChEMBL
192891	PubChem
14904275	PubChem: Thomson Pharma
13757-83-0	ACToR
The data in this table is sourced from UniChem at EBI.