Sphingomyelin d18:2-C23:0
URL: https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Chubu_Univ-UT001278
Dataset description:
This MassBank record with Accession MSBNK-Chubu_Univ-UT001278 contains the MS2 mass spectrum of Sphingomyelin d18:2-C23:0 with the InChIkey PENYJGUXTJATDH-FKOSZORSSA-N.
Source: Sphingomyelin d18:2-C23:0
Chemical Info
| InChI | InChI=1S/C46H91N2O6P/c1-6-8-10-12-14-16-18-20-21-22-23-24-25-26-28-30-32-34-36-38-40-46(50)47-44(43-54-55(51,52)53-42-41-48(3,4)5)45(49)39-37-35-33-31-29-27-19-17-15-13-11-9-7-2/h29,31,37,39,44-45,49H,6-28,30,32-36,38,40-43H2,1-5H3,(H-,47,50,51,52)/b31-29+,39-37+/t44-,45+/m1/s1 |
|---|---|
| SMILES | C(CCCCCCCCCCCCCCC)CCCCCCC(NC(C(C=CCCC=CCCCCCCCCC)O)COP([O-1])(=O)OCC[N+1](C)(C)C)=O |
| InChI Key | PENYJGUXTJATDH-FKOSZORSSA-N |
| Molecular Formula | C46H91N2O6P |
| Exact Mass | 798.661 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 | 026271e7-fd0e-43ae-8b2b-55ba963f36fe |
| Package id | msbnk-chubu_univ-ut001278 |
| Resource type | HTML |
| State | active |