Sphingomyelin d18:0-C22:0
URL: https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Chubu_Univ-UT001626
Dataset description:
This MassBank record with Accession MSBNK-Chubu_Univ-UT001626 contains the MS3 mass spectrum of Sphingomyelin d18:0-C22:0 with the InChIkey FONAXCRWZQFJHY-GWRSVMHXSA-N.
Source: Sphingomyelin d18:0-C22:0
Chemical Info
| InChI | InChI=1S/C45H93N2O6P/c1-6-8-10-12-14-16-18-20-21-22-23-24-25-27-29-31-33-35-37-39-45(49)46-43(42-53-54(50,51)52-41-40-47(3,4)5)44(48)38-36-34-32-30-28-26-19-17-15-13-11-9-7-2/h43-44,48H,6-42H2,1-5H3,(H-,46,49,50,51)/t43-,44+/m1/s1 |
|---|---|
| SMILES | C(CCCCC(C(NC(=O)CCCCCCCCCCCCCCCCCCCCC)COP([O-1])(=O)OCC[N+1](C)(C)C)O)CCCCCCCCCC |
| InChI Key | FONAXCRWZQFJHY-GWRSVMHXSA-N |
| Molecular Formula | C45H93N2O6P |
| Exact Mass | 788.677 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 | 000af65b-9514-4773-8b85-d10c8f8fb966 |
| Package id | msbnk-chubu_univ-ut001626 |
| Resource type | HTML |
| State | active |