Dataset

Phosphatidylcholine 19:1-18:2

This MassBank record with Accession MSBNK-Chubu_Univ-UT001796 contains the MS2 mass spectrum of Phosphatidylcholine 19:1-18:2 with the InChIkey BLCTXUGKOYYBFA-DFWRNDSJSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C45H84NO8P/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/h26,28,31-34,43H,6-25,27,29-30,35-42H2,1-5H3/b28-26-,33-31-,34-32-
SMILES C(CCC=CCC=CCCCCCCCCCC)(OC(COC(=O)CCC=CCCCCCCCCCCCCCC)COP(OCC[N+1](C)(C)C)([O-1])=O)=O
InChI Key BLCTXUGKOYYBFA-DFWRNDSJSA-N
Molecular Formula C45H84NO8P
Exact Mass 797.593 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-UT001796
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T12:49:59.636940
MetadataModified 2024-01-11T12:49:59.804447
MetadataPublished 2016-01-19
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
134721339 PubChem
The data in this table is sourced from UniChem at EBI.