Phosphatidylcholine alkyl 18:0-22:6
URL: https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Chubu_Univ-UT002336
Dataset description:
This MassBank record with Accession MSBNK-Chubu_Univ-UT002336 contains the MS3 mass spectrum of Phosphatidylcholine alkyl 18:0-22:6 with the InChIkey QBZALASVZLFAHF-RRHSVIFUSA-N.
Chemical Info
| InChI | InChI=1S/C48H86NO7P/c1-6-8-10-12-14-16-18-20-22-24-25-26-27-29-31-33-35-37-39-41-48(50)56-47(46-55-57(51,52)54-44-42-49(3,4)5)45-53-43-40-38-36-34-32-30-28-23-21-19-17-15-13-11-9-7-2/h8,10,14,16,20,22,25-26,29,31,35,37,47H,6-7,9,11-13,15,17-19,21,23-24,27-28,30,32-34,36,38-46H2,1-5H3/b10-8-,16-14-,22-20-,26-25-,31-29-,37-35- |
|---|---|
| SMILES | C(CCCCCOCC(OC(=O)CCC=CCC=CCC=CCC=CCC=CCC=CCC)COP([O-1])(=O)OCC[N+1](C)(C)C)CCCCCCCCCCCC |
| InChI Key | QBZALASVZLFAHF-RRHSVIFUSA-N |
| Molecular Formula | C48H86NO7P |
| Exact Mass | 819.614 g/mol |
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Additional Information
| Field | Value |
|---|---|
| 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 | 62ddf061-bbfe-4cdb-877e-671fcc8933ca |
| Package id | msbnk-chubu_univ-ut002336 |
| Resource type | HTML |
| State | active |