Sphingomyelin d18:1-C20:0
URL: https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Chubu_Univ-UT002740
Dataset description:
This MassBank record with Accession MSBNK-Chubu_Univ-UT002740 contains the MS2 mass spectrum of Sphingomyelin d18:1-C20:0 with the InChIkey AADLTHQNYQJHQV-XACAWUTQSA-N.
Source: Sphingomyelin d18:1-C20:0
Chemical Info
| InChI | InChI=1S/C43H87N2O6P/c1-6-8-10-12-14-16-18-20-21-22-23-25-27-29-31-33-35-37-43(47)44-41(40-51-52(48,49)50-39-38-45(3,4)5)42(46)36-34-32-30-28-26-24-19-17-15-13-11-9-7-2/h34,36,41-42,46H,6-33,35,37-40H2,1-5H3,(H-,44,47,48,49)/b36-34+/t41-,42+/m1/s1 |
|---|---|
| SMILES | C(CCC)CCCCCCCCCC=CC(C(NC(=O)CCCCCCCCCCCCCCCCCCC)COP(OCC[N+1](C)(C)C)([O-1])=O)O |
| InChI Key | AADLTHQNYQJHQV-XACAWUTQSA-N |
| Molecular Formula | C43H87N2O6P |
| Exact Mass | 758.630 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 | 5aa73e2f-d33d-4483-a13e-d1bf9ed670fb |
| Package id | msbnk-chubu_univ-ut002740 |
| Resource type | HTML |
| State | active |