Dataset

Phosphatidylcholine 20:1-22:6

This MassBank record with Accession MSBNK-Chubu_Univ-UT002533 contains the MS2 mass spectrum of Phosphatidylcholine 20:1-22:6 with the InChIkey NDXZRODTPALTBU-HCJNTHTKSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C50H86NO8P/c1-6-8-10-12-14-16-18-20-22-24-25-27-29-31-33-35-37-39-41-43-50(53)59-48(47-58-60(54,55)57-45-44-51(3,4)5)46-56-49(52)42-40-38-36-34-32-30-28-26-23-21-19-17-15-13-11-9-7-2/h8,10,14,16,20,22,25,27,31,33,36-39,48H,6-7,9,11-13,15,17-19,21,23-24,26,28-30,32,34-35,40-47H2,1-5H3/b10-8-,16-14-,22-20-,27-25-,33-31-,38-36-,39-37-
SMILES C(CCCCCCCCCCCCCC=CCCC(OCC(COP(OCC[N+1](C)(C)C)([O-1])=O)OC(CCC=CCC=CCC=CCC=CCC=CCC=CCC)=O)=O)C
InChI Key NDXZRODTPALTBU-HCJNTHTKSA-N
Molecular Formula C50H86NO8P
Exact Mass 859.609 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-UT002533
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T12:49:32.510483
MetadataModified 2024-01-11T12:49:32.672797
MetadataPublished 2016-01-19
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
134751934 PubChem
The data in this table is sourced from UniChem at EBI.