Phosphatidylcholine alkyl 16:0-22:6
URL: https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Chubu_Univ-UT001589
Dataset description:
This MassBank record with Accession MSBNK-Chubu_Univ-UT001589 contains the MS3 mass spectrum of Phosphatidylcholine alkyl 16:0-22:6 with the InChIkey QQQQNYAHSSIZBU-XTQGPSINSA-N.
Chemical Info
| InChI | InChI=1S/C46H82NO7P/c1-6-8-10-12-14-16-18-20-22-23-24-25-26-27-29-31-33-35-37-39-46(48)54-45(44-53-55(49,50)52-42-40-47(3,4)5)43-51-41-38-36-34-32-30-28-21-19-17-15-13-11-9-7-2/h8,10,14,16,20,22,24-25,27,29,33,35,45H,6-7,9,11-13,15,17-19,21,23,26,28,30-32,34,36-44H2,1-5H3/b10-8-,16-14-,22-20-,25-24-,29-27-,35-33- |
|---|---|
| SMILES | C(CCOCC(COP([O-1])(=O)OCC[N+1](C)(C)C)OC(CCC=CCC=CCC=CCC=CCC=CCC=CCC)=O)CCCCCCCCCCCCC |
| InChI Key | QQQQNYAHSSIZBU-XTQGPSINSA-N |
| Molecular Formula | C46H82NO7P |
| Exact Mass | 791.583 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 | a1209f71-41da-4a74-a58b-5e34a4e55e8e |
| Package id | msbnk-chubu_univ-ut001589 |
| Resource type | HTML |
| State | active |