Dataset

Phosphatidylcholine 16:1-20:4

This MassBank record with Accession MSBNK-Chubu_Univ-UT002498 contains the MS2 mass spectrum of Phosphatidylcholine 16:1-20:4 with the InChIkey QSBABJGBCMSZOL-RNVRRVRJSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C44H78NO8P/c1-6-8-10-12-14-16-18-20-21-22-23-25-27-29-31-33-35-37-44(47)53-42(41-52-54(48,49)51-39-38-45(3,4)5)40-50-43(46)36-34-32-30-28-26-24-19-17-15-13-11-9-7-2/h16,18,21-22,25,27,30-33,42H,6-15,17,19-20,23-24,26,28-29,34-41H2,1-5H3/b18-16-,22-21-,27-25-,32-30-,33-31-
SMILES C(CCCCCC)=CCC=CCC=CCC=CCCC(OC(COC(=O)CCC=CCCCCCCCCCCC)COP(OCC[N+1](C)(C)C)([O-1])=O)=O
InChI Key QSBABJGBCMSZOL-RNVRRVRJSA-N
Molecular Formula C44H78NO8P
Exact Mass 779.547 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-UT002498
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T12:48:38.848344
MetadataModified 2024-01-11T12:48:39.009983
MetadataPublished 2016-01-19
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
134762022 PubChem
The data in this table is sourced from UniChem at EBI.