Phosphatidylcholine 18:2-20:5
URL: https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Chubu_Univ-UT002523
Dataset description:
This MassBank record with Accession MSBNK-Chubu_Univ-UT002523 contains the MS2 mass spectrum of Phosphatidylcholine 18:2-20:5 with the InChIkey XAYMJCDXSDRVCT-KHVPVUJCSA-N.
Source: Phosphatidylcholine 18:2-20:5
Chemical Info
| InChI | InChI=1S/C46H78NO8P/c1-6-8-10-12-14-16-18-20-22-23-25-27-29-31-33-35-37-39-46(49)55-44(43-54-56(50,51)53-41-40-47(3,4)5)42-52-45(48)38-36-34-32-30-28-26-24-21-19-17-15-13-11-9-7-2/h10,12,16,18,22-23,26-29,32-35,44H,6-9,11,13-15,17,19-21,24-25,30-31,36-43H2,1-5H3/b12-10-,18-16-,23-22-,28-26-,29-27-,34-32-,35-33- |
|---|---|
| SMILES | C(CCCCCCCCCC)=CCC=CCCC(=O)OCC(COP([O-1])(=O)OCC[N+1](C)(C)C)OC(=O)CCC=CCC=CCC=CCC=CCC=CCCC |
| InChI Key | XAYMJCDXSDRVCT-KHVPVUJCSA-N |
| Molecular Formula | C46H78NO8P |
| Exact Mass | 803.547 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 | d8ef6ae1-6a77-48cb-be79-54eab7e57ccf |
| Package id | msbnk-chubu_univ-ut002523 |
| Resource type | HTML |
| State | active |