Phosphatidylcholine 19:0-22:6
URL: https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Chubu_Univ-UT001795
Dataset description:
This MassBank record with Accession MSBNK-Chubu_Univ-UT001795 contains the MS2 mass spectrum of Phosphatidylcholine 19:0-22:6 with the InChIkey MCBZZOAHAMROOU-DSFOIJQZSA-N.
Source: Phosphatidylcholine 19:0-22:6
Chemical Info
InChI | InChI=1S/C49H86NO8P/c1-6-8-10-12-14-16-18-20-22-24-25-26-28-30-32-34-36-38-40-42-49(52)58-47(46-57-59(53,54)56-44-43-50(3,4)5)45-55-48(51)41-39-37-35-33-31-29-27-23-21-19-17-15-13-11-9-7-2/h8,10,14,16,20,22,25-26,30,32,36,38,47H,6-7,9,11-13,15,17-19,21,23-24,27-29,31,33-35,37,39-46H2,1-5H3/b10-8-,16-14-,22-20-,26-25-,32-30-,38-36- |
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SMILES | C(=CCCC(=O)OC(COC(CCCCCCCCCCCCCCCCCC)=O)COP(OCC[N+1](C)(C)C)([O-1])=O)CC=CCC=CCC=CCC=CCC=CCC |
InChI Key | MCBZZOAHAMROOU-DSFOIJQZSA-N |
Molecular Formula | C49H86NO8P |
Exact Mass | 847.609 g/mol |
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Additional Information
Field | Value |
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Data last updated | January 11, 2024 |
Metadata last updated | January 11, 2024 |
Created | January 11, 2024 |
Format | HTML |
License | Attribution-NonCommercial-ShareAlike 4.0 International (CC BY-NC-SA 4.0) |
Id | 22cc0e93-ed91-4fc9-969e-ad7e02d52a7d |
Package id | msbnk-chubu_univ-ut001795 |
Resource type | HTML |
State | active |