Phosphatidylcholine alkyl 18:0-18:2
URL: https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Chubu_Univ-UT003056
Dataset description:
This MassBank record with Accession MSBNK-Chubu_Univ-UT003056 contains the MS3 mass spectrum of Phosphatidylcholine alkyl 18:0-18:2 with the InChIkey BXRBEIASHZFHSW-FOXSRGEXSA-N.
Chemical Info
| InChI | InChI=1S/C44H86NO7P/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-39-49-41-43(42-51-53(47,48)50-40-38-45(3,4)5)52-44(46)37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h25,27,31,33,43H,6-24,26,28-30,32,34-42H2,1-5H3/b27-25-,33-31- |
|---|---|
| SMILES | C(C(OC(=O)CCC=CCC=CCCCCCCCCCC)COP([O-1])(=O)OCC[N+1](C)(C)C)OCCCCCCCCCCCCCCCCCC |
| InChI Key | BXRBEIASHZFHSW-FOXSRGEXSA-N |
| Molecular Formula | C44H86NO7P |
| Exact Mass | 771.614 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 | b689a8bf-2f19-475f-93bb-fd5534fec934 |
| Package id | msbnk-chubu_univ-ut003056 |
| Resource type | HTML |
| State | active |