Phosphatidylcholine 20:0-18:1
URL: https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Chubu_Univ-UT002794
Dataset description:
This MassBank record with Accession MSBNK-Chubu_Univ-UT002794 contains the MS2 mass spectrum of Phosphatidylcholine 20:0-18:1 with the InChIkey MIVBFINNAAGALQ-OAPYJULQSA-N.
Source: Phosphatidylcholine 20:0-18:1
Chemical Info
| InChI | InChI=1S/C46H90NO8P/c1-6-8-10-12-14-16-18-20-22-23-25-26-28-30-32-34-36-38-45(48)52-42-44(43-54-56(50,51)53-41-40-47(3,4)5)55-46(49)39-37-35-33-31-29-27-24-21-19-17-15-13-11-9-7-2/h33,35,44H,6-32,34,36-43H2,1-5H3/b35-33- |
|---|---|
| SMILES | C(CCCCCCCCCCCC)C=CCCC(OC(COC(=O)CCCCCCCCCCCCCCCCCCC)COP(OCC[N+1](C)(C)C)([O-1])=O)=O |
| InChI Key | MIVBFINNAAGALQ-OAPYJULQSA-N |
| Molecular Formula | C46H90NO8P |
| Exact Mass | 815.640 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 | 1dd54eac-6cf2-429c-b820-e3106c39cb97 |
| Package id | msbnk-chubu_univ-ut002794 |
| Resource type | HTML |
| State | active |