Sphingomyelin d18:1-C24:1
URL: https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Chubu_Univ-UT003103
Dataset description:
This MassBank record with Accession MSBNK-Chubu_Univ-UT003103 contains the MS3 mass spectrum of Sphingomyelin d18:1-C24:1 with the InChIkey RKEMFFRZTRUUOF-UQSBNWTPSA-N.
Source: Sphingomyelin d18:1-C24:1
Chemical Info
| InChI | InChI=1S/C47H93N2O6P/c1-6-8-10-12-14-16-18-20-21-22-23-24-25-26-27-29-31-33-35-37-39-41-47(51)48-45(44-55-56(52,53)54-43-42-49(3,4)5)46(50)40-38-36-34-32-30-28-19-17-15-13-11-9-7-2/h35,37-38,40,45-46,50H,6-34,36,39,41-44H2,1-5H3,(H-,48,51,52,53)/b37-35-,40-38+/t45-,46+/m1/s1 |
|---|---|
| SMILES | N(C(=O)CCC=CCCCCCCCCCCCCCCCCCCC)C(COP(OCC[N+1](C)(C)C)([O-1])=O)C(C=CCCCCCCCCCCCCC)O |
| InChI Key | RKEMFFRZTRUUOF-UQSBNWTPSA-N |
| Molecular Formula | C47H93N2O6P |
| Exact Mass | 812.677 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 | d4c12603-1352-4dd7-ae87-1bc65b45377b |
| Package id | msbnk-chubu_univ-ut003103 |
| Resource type | HTML |
| State | active |