Phosphatidylcholine 22:0-18:2
URL: https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Chubu_Univ-UT001065
Dataset description:
This MassBank record with Accession MSBNK-Chubu_Univ-UT001065 contains the MS2 mass spectrum of Phosphatidylcholine 22:0-18:2 with the InChIkey WRWYRAWKRKLJLU-VTFKHGFOSA-N.
Source: Phosphatidylcholine 22:0-18:2
Chemical Info
| InChI | InChI=1S/C48H92NO8P/c1-6-8-10-12-14-16-18-20-22-23-24-25-27-28-30-32-34-36-38-40-47(50)54-44-46(45-56-58(52,53)55-43-42-49(3,4)5)57-48(51)41-39-37-35-33-31-29-26-21-19-17-15-13-11-9-7-2/h29,31,35,37,46H,6-28,30,32-34,36,38-45H2,1-5H3/b31-29-,37-35- |
|---|---|
| SMILES | C(=CCCCCCCCCCC)CC=CCCC(OC(COP(OCC[N+1](C)(C)C)([O-1])=O)COC(CCCCCCCCCCCCCCCCCCCCC)=O)=O |
| InChI Key | WRWYRAWKRKLJLU-VTFKHGFOSA-N |
| Molecular Formula | C48H92NO8P |
| Exact Mass | 841.656 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 | 7c890319-a61b-4e5b-be4b-cf5023bd6d50 |
| Package id | msbnk-chubu_univ-ut001065 |
| Resource type | HTML |
| State | active |