Dataset

Phosphatidylcholine 15:0-22:6

This MassBank record with Accession MSBNK-Chubu_Univ-UT001746 contains the MS2 mass spectrum of Phosphatidylcholine 15:0-22:6 with the InChIkey GEINPYKZLFHHIL-BDWYRQGHSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C45H78NO8P/c1-6-8-10-12-14-16-18-20-21-22-23-24-25-26-28-30-32-34-36-38-45(48)54-43(42-53-55(49,50)52-40-39-46(3,4)5)41-51-44(47)37-35-33-31-29-27-19-17-15-13-11-9-7-2/h8,10,14,16,20-21,23-24,26,28,32,34,43H,6-7,9,11-13,15,17-19,22,25,27,29-31,33,35-42H2,1-5H3/b10-8-,16-14-,21-20-,24-23-,28-26-,34-32-
SMILES C(CC)=CCC=CCC=CCC=CCC=CCC=CCCC(=O)OC(COC(=O)CCCCCCCCCCCCCC)COP(OCC[N+1](C)(C)C)([O-1])=O
InChI Key GEINPYKZLFHHIL-BDWYRQGHSA-N
Molecular Formula C45H78NO8P
Exact Mass 791.547 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-UT001746
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T12:46:17.021367
MetadataModified 2024-01-11T12:46:17.179600
MetadataPublished 2016-01-19
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
26527038 PubChem: Thomson Pharma
16666986 PubChem
The data in this table is sourced from UniChem at EBI.