Dataset

Phosphatidylcholine 15:0-22:5 / 17:1-20:4

This MassBank record with Accession MSBNK-Chubu_Univ-UT001527 contains the MS3 mass spectrum of Phosphatidylcholine 15:0-22:5 / 17:1-20:4 with the InChIkey SNAJUQDXJWRAPH-JIAPPTBOSA-N.

Chemical Info

molecular Image
InChI InChI=1S/2C45H80NO8P/c1-6-8-10-12-14-16-18-20-21-22-23-24-25-26-28-30-32-34-36-38-45(48)54-43(42-53-55(49,50)52-40-39-46(3,4)5)41-51-44(47)37-35-33-31-29-27-19-17-15-13-11-9-7-2;1-6-8-10-12-14-16-18-20-22-23-24-26-28-30-32-34-36-38-45(48)54-43(42-53-55(49,50)52-40-39-46(3,4)5)41-51-44(47)37-35-33-31-29-27-25-21-19-17-15-13-11-9-7-2/h14,16,20-21,23-24,26,28,32,34,43H,6-13,15,17-19,22,25,27,29-31,33,35-42H2,1-5H3;16,18,22-23,26,28,31-34,43H,6-15,17,19-21,24-25,27,29-30,35-42H2,1-5H3/b16-14-,21-20-,24-23-,28-26-,34-32-;18-16-,23-22-,28-26-,33-31-,34-32-
SMILES CCCCCCCCCCCCCCC(=O)OCC(COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCC.CCCCCCCCCCCC/C=C\CCC(=O)OCC(COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CC/C=C\C/C=C\C/C=C\C/C=C\CCCCCC
InChI Key SNAJUQDXJWRAPH-JIAPPTBOSA-N
Molecular Formula C90H160N2O16P2
Exact Mass 1587.124 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-UT001527
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T12:47:24.712844
MetadataModified 2024-01-11T12:47:24.878341
MetadataPublished 2016-01-19
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
134767227 PubChem
The data in this table is sourced from UniChem at EBI.