Sphingomyelin d18:1-C22:1
URL: https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Chubu_Univ-UT002381
Dataset description:
This MassBank record with Accession MSBNK-Chubu_Univ-UT002381 contains the MS3 mass spectrum of Sphingomyelin d18:1-C22:1 with the InChIkey OLJJWQULRPCSST-QMQRQSDPSA-N.
Source: Sphingomyelin d18:1-C22:1
Chemical Info
| InChI | InChI=1S/C45H89N2O6P/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/h33,35-36,38,43-44,48H,6-32,34,37,39-42H2,1-5H3,(H-,46,49,50,51)/b35-33-,38-36+/t43-,44+/m1/s1 |
|---|---|
| SMILES | C(CCCCCCCCC=CC(O)C(COP(OCC[N+1](C)(C)C)([O-1])=O)NC(CCC=CCCCCCCCCCCCCCCCCC)=O)CCCC |
| InChI Key | OLJJWQULRPCSST-QMQRQSDPSA-N |
| Molecular Formula | C45H89N2O6P |
| Exact Mass | 784.646 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 | 1e797b5d-5a8b-4e2a-91cb-6bac061ab7f5 |
| Package id | msbnk-chubu_univ-ut002381 |
| Resource type | HTML |
| State | active |