Dataset

Phosphatidylcholine 16:0-20:3

This MassBank record with Accession MSBNK-Chubu_Univ-UT001753 contains the MS2 mass spectrum of Phosphatidylcholine 16:0-20:3 with the InChIkey XWDUIGPTBYOBBP-BQYMPCJESA-N.

Chemical Info

molecular Image
InChI InChI=1S/C44H82NO8P/c1-6-8-10-12-14-16-18-20-21-22-23-25-27-29-31-33-35-37-44(47)53-42(41-52-54(48,49)51-39-38-45(3,4)5)40-50-43(46)36-34-32-30-28-26-24-19-17-15-13-11-9-7-2/h21-22,25,27,31,33,42H,6-20,23-24,26,28-30,32,34-41H2,1-5H3/b22-21-,27-25-,33-31-
SMILES C(CCCCC)CCCC=CCC=CCC=CCCC(=O)OC(COP(OCC[N+1](C)(C)C)([O-1])=O)COC(CCCCCCCCCCCCCCC)=O
InChI Key XWDUIGPTBYOBBP-BQYMPCJESA-N
Molecular Formula C44H82NO8P
Exact Mass 783.578 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-UT001753
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T12:46:45.080133
MetadataModified 2024-01-11T12:46:45.238502
MetadataPublished 2016-01-19
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
134780092 PubChem
The data in this table is sourced from UniChem at EBI.