Dataset

Phosphatidylcholine 16:0-22:7

This MassBank record with Accession MSBNK-Chubu_Univ-UT001758 contains the MS2 mass spectrum of Phosphatidylcholine 16:0-22:7 with the InChIkey FXSXZNJPDJYSQF-YABKEOHFSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C47H80NO8P/c1-6-8-10-12-14-16-18-20-21-22-23-24-25-26-28-30-32-34-36-38-40-47(50)56-45(44-55-57(51,52)54-42-41-48(3,4)5)43-53-46(49)39-37-35-33-31-29-27-19-17-15-13-11-9-7-2/h6,10,12,16,18,21-22,24-25,28,30,34,36,45H,1,7-9,11,13-15,17,19-20,23,26-27,29,31-33,35,37-44H2,2-5H3/b12-10-,18-16-,22-21-,25-24-,30-28-,36-34-
SMILES C(=CCC=CCC=CCC=CCCC(=O)OC(COP(OCC[N+1](C)(C)C)([O-1])=O)COC(=O)CCCCCCCCCCCCCCC)CC=CCC=CCC=C
InChI Key FXSXZNJPDJYSQF-YABKEOHFSA-N
Molecular Formula C47H80NO8P
Exact Mass 817.562 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-UT001758
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T12:51:28.525189
MetadataModified 2025-02-09T09:01:56.162642
MetadataPublished 2016-01-19
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
134731281 PubChem
The data in this table is sourced from UniChem at EBI.