Sphingomyelin d18:1-C21:0
URL: https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Chubu_Univ-UT002010
Dataset description:
This MassBank record with Accession MSBNK-Chubu_Univ-UT002010 contains the MS2 mass spectrum of Sphingomyelin d18:1-C21:0 with the InChIkey YXSZOBWVQJIWNE-LUJNSPTCSA-N.
Source: Sphingomyelin d18:1-C21:0
Chemical Info
| InChI | InChI=1S/C44H89N2O6P/c1-6-8-10-12-14-16-18-20-21-22-23-24-26-28-30-32-34-36-38-44(48)45-42(41-52-53(49,50)51-40-39-46(3,4)5)43(47)37-35-33-31-29-27-25-19-17-15-13-11-9-7-2/h35,37,42-43,47H,6-34,36,38-41H2,1-5H3,(H-,45,48,49,50)/b37-35+/t42-,43+/m1/s1 |
|---|---|
| SMILES | C(CCCCCCCCC=CC(O)C(NC(CCCCCCCCCCCCCCCCCCCC)=O)COP([O-1])(=O)OCC[N+1](C)(C)C)CCCC |
| InChI Key | YXSZOBWVQJIWNE-LUJNSPTCSA-N |
| Molecular Formula | C44H89N2O6P |
| Exact Mass | 772.646 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 | a969b499-daef-4893-a803-40be0dd5a8bb |
| Package id | msbnk-chubu_univ-ut002010 |
| Resource type | HTML |
| State | active |