Dataset

Phosphatidylcholine 16:1-16:1

This MassBank record with Accession MSBNK-Chubu_Univ-UT002494 contains the MS2 mass spectrum of Phosphatidylcholine 16:1-16:1 with the InChIkey SOUQZYYFGDCZOX-UKDOXLPISA-N.

Chemical Info

molecular Image
InChI InChI=1S/C40H76NO8P/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-39(42)46-36-38(37-48-50(44,45)47-35-34-41(3,4)5)49-40(43)33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h26-29,38H,6-25,30-37H2,1-5H3/b28-26-,29-27-
SMILES C(OP(OCC[N+1](C)(C)C)([O-1])=O)C(COC(=O)CCC=CCCCCCCCCCCC)OC(CCC=CCCCCCCCCCCC)=O
InChI Key SOUQZYYFGDCZOX-UKDOXLPISA-N
Molecular Formula C40H76NO8P
Exact Mass 729.531 g/mol

Data and Resources

Metadata Information

Field Value
DOI
License URL https://creativecommons.org/licenses/by-nc-sa/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Chubu_Univ-UT002494
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T12:48:16.831173
MetadataModified 2024-01-11T12:48:17.003561
MetadataPublished 2016-01-19
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
134767444 PubChem
The data in this table is sourced from UniChem at EBI.