Dataset

Phosphatidylcholine alkyl 16:0-20:4

This MassBank record with Accession MSBNK-Chubu_Univ-UT002805 contains the MS2 mass spectrum of Phosphatidylcholine alkyl 16:0-20:4 with the InChIkey MHOAZZSMGQCHNX-GJWWTBRZSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C44H82NO7P/c1-6-8-10-12-14-16-18-20-22-23-24-25-27-29-31-33-35-37-44(46)52-43(42-51-53(47,48)50-40-38-45(3,4)5)41-49-39-36-34-32-30-28-26-21-19-17-15-13-11-9-7-2/h16,18,22-23,25,27,31,33,43H,6-15,17,19-21,24,26,28-30,32,34-42H2,1-5H3/b18-16-,23-22-,27-25-,33-31-
SMILES C(CCCCCC)=CCC=CCC=CCC=CCCC(=O)OC(COCCCCCCCCCCCCCCCC)COP([O-1])(=O)OCC[N+1](C)(C)C
InChI Key MHOAZZSMGQCHNX-GJWWTBRZSA-N
Molecular Formula C44H82NO7P
Exact Mass 767.583 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-UT002805
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T12:46:29.747470
MetadataModified 2024-01-11T12:46:29.892491
MetadataPublished 2016-01-19
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
134749483 PubChem
The data in this table is sourced from UniChem at EBI.