Dataset

Phosphatidylcholine 19:0-18:1

This MassBank record with Accession MSBNK-Chubu_Univ-UT001573 contains the MS3 mass spectrum of Phosphatidylcholine 19:0-18:1 with the InChIkey QKEFIMCGHFOKRT-YJKCNMNRSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C45H88NO8P/c1-6-8-10-12-14-16-18-20-22-24-25-27-29-31-33-35-37-44(47)51-41-43(42-53-55(49,50)52-40-39-46(3,4)5)54-45(48)38-36-34-32-30-28-26-23-21-19-17-15-13-11-9-7-2/h32,34,43H,6-31,33,35-42H2,1-5H3/b34-32-
SMILES C(CCCCCCCCCCCC(=O)OCC(OC(=O)CCC=CCCCCCCCCCCCCC)COP(OCC[N+1](C)(C)C)([O-1])=O)CCCCCC
InChI Key QKEFIMCGHFOKRT-YJKCNMNRSA-N
Molecular Formula C45H88NO8P
Exact Mass 801.625 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-UT001573
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T12:47:16.107558
MetadataModified 2024-01-11T12:47:16.259222
MetadataPublished 2016-01-19
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
134761165 PubChem
The data in this table is sourced from UniChem at EBI.