Sphingomyelin d18:1-C23:0
URL: https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Chubu_Univ-UT001272
Dataset description:
This MassBank record with Accession MSBNK-Chubu_Univ-UT001272 contains the MS2 mass spectrum of Sphingomyelin d18:1-C23:0 with the InChIkey SXZWBNWTCVLZJN-ZIHSGIAZSA-N.
Source: Sphingomyelin d18:1-C23:0
Chemical Info
| InChI | InChI=1S/C46H93N2O6P/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/h37,39,44-45,49H,6-36,38,40-43H2,1-5H3,(H-,47,50,51,52)/b39-37+/t44-,45+/m1/s1 |
|---|---|
| SMILES | C(CCCCCCCCCCCCCCC)CCCCCCC(=O)NC(COP([O-1])(=O)OCC[N+1](C)(C)C)C(C=CCCCCCCCCCCCCC)O |
| InChI Key | SXZWBNWTCVLZJN-ZIHSGIAZSA-N |
| Molecular Formula | C46H93N2O6P |
| Exact Mass | 800.677 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 | 7f8440bf-28a8-434a-b528-0aeb06b02c68 |
| Package id | msbnk-chubu_univ-ut001272 |
| Resource type | HTML |
| State | active |