Phosphatidylcholine 20:0-22:6
URL: https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Chubu_Univ-UT001063
Dataset description:
This MassBank record with Accession MSBNK-Chubu_Univ-UT001063 contains the MS2 mass spectrum of Phosphatidylcholine 20:0-22:6 with the InChIkey WAFWSBFKIPCFOF-ZOHKZEOUSA-N.
Source: Phosphatidylcholine 20:0-22:6
Chemical Info
| InChI | InChI=1S/C50H88NO8P/c1-6-8-10-12-14-16-18-20-22-24-25-27-29-31-33-35-37-39-41-43-50(53)59-48(47-58-60(54,55)57-45-44-51(3,4)5)46-56-49(52)42-40-38-36-34-32-30-28-26-23-21-19-17-15-13-11-9-7-2/h8,10,14,16,20,22,25,27,31,33,37,39,48H,6-7,9,11-13,15,17-19,21,23-24,26,28-30,32,34-36,38,40-47H2,1-5H3/b10-8-,16-14-,22-20-,27-25-,33-31-,39-37- |
|---|---|
| SMILES | C(C=CCCC(OC(COP([O-1])(=O)OCC[N+1](C)(C)C)COC(=O)CCCCCCCCCCCCCCCCCCC)=O)C=CCC=CCC=CCC=CCC=CCC |
| InChI Key | WAFWSBFKIPCFOF-ZOHKZEOUSA-N |
| Molecular Formula | C50H88NO8P |
| Exact Mass | 861.625 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 | 5b57dfa5-86e9-4a3c-a32d-d98dd4969be8 |
| Package id | msbnk-chubu_univ-ut001063 |
| Resource type | HTML |
| State | active |