Dataset

Phosphatidylcholine 18:1-20:4

This MassBank record with Accession MSBNK-Chubu_Univ-UT002788 contains the MS2 mass spectrum of Phosphatidylcholine 18:1-20:4 with the InChIkey HYDKDXOLAXLJKA-ICTLDNOWSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C46H82NO8P/c1-6-8-10-12-14-16-18-20-22-23-25-27-29-31-33-35-37-39-46(49)55-44(43-54-56(50,51)53-41-40-47(3,4)5)42-52-45(48)38-36-34-32-30-28-26-24-21-19-17-15-13-11-9-7-2/h16,18,22-23,27,29,32-35,44H,6-15,17,19-21,24-26,28,30-31,36-43H2,1-5H3/b18-16-,23-22-,29-27-,34-32-,35-33-
SMILES C(CCCC=CCC=CCC=CCC=CCCC(=O)OC(COP([O-1])(=O)OCC[N+1](C)(C)C)COC(CCC=CCCCCCCCCCCCCC)=O)CC
InChI Key HYDKDXOLAXLJKA-ICTLDNOWSA-N
Molecular Formula C46H82NO8P
Exact Mass 807.578 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-UT002788
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T12:46:18.350554
MetadataModified 2024-01-11T12:46:18.535365
MetadataPublished 2016-01-19
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
134737026 PubChem
The data in this table is sourced from UniChem at EBI.