Dataset

Phosphatidylcholine 18:0-22:4

This MassBank record with Accession MSBNK-Chubu_Univ-UT003135 contains the MS3 mass spectrum of Phosphatidylcholine 18:0-22:4 with the InChIkey FNYFFQAOWZRPMR-TZYRSRCUSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C48H88NO8P/c1-6-8-10-12-14-16-18-20-22-23-24-25-27-29-31-33-35-37-39-41-48(51)57-46(45-56-58(52,53)55-43-42-49(3,4)5)44-54-47(50)40-38-36-34-32-30-28-26-21-19-17-15-13-11-9-7-2/h20,22,24-25,29,31,35,37,46H,6-19,21,23,26-28,30,32-34,36,38-45H2,1-5H3/b22-20-,25-24-,31-29-,37-35-
SMILES C(C(COP(OCC[N+1](C)(C)C)([O-1])=O)OC(CCC=CCC=CCC=CCC=CCCCCCCCC)=O)OC(CCCCCCCCCCCCCCCCC)=O
InChI Key FNYFFQAOWZRPMR-TZYRSRCUSA-N
Molecular Formula C48H88NO8P
Exact Mass 837.625 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-UT003135
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T12:48:46.318475
MetadataModified 2024-01-11T12:48:46.474544
MetadataPublished 2016-01-19
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
134730217 PubChem
The data in this table is sourced from UniChem at EBI.