Phosphatidylethanolamine 18:1-22:6
URL: https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Chubu_Univ-UT001140
Dataset description:
This MassBank record with Accession MSBNK-Chubu_Univ-UT001140 contains the MS2 mass spectrum of Phosphatidylethanolamine 18:1-22:6 with the InChIkey VPTWUJPVIKSANV-QRPORDCISA-N.
Chemical Info
| InChI | InChI=1S/C45H76NO8P/c1-3-5-7-9-11-13-15-17-19-20-21-22-24-26-28-30-32-34-36-38-45(48)54-43(42-53-55(49,50)52-40-39-46)41-51-44(47)37-35-33-31-29-27-25-23-18-16-14-12-10-8-6-4-2/h5,7,11,13,17,19,21-22,26,28,31-34,43H,3-4,6,8-10,12,14-16,18,20,23-25,27,29-30,35-42,46H2,1-2H3,(H,49,50)/b7-5-,13-11-,19-17-,22-21-,28-26-,33-31-,34-32- |
|---|---|
| SMILES | C(CC)=CCC=CCC=CCC=CCC=CCC=CCCC(OC(COC(CCC=CCCCCCCCCCCCCC)=O)COP(O)(=O)OCCN)=O |
| InChI Key | VPTWUJPVIKSANV-QRPORDCISA-N |
| Molecular Formula | C45H76NO8P |
| Exact Mass | 789.531 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 | 60293388-6451-44d1-9f75-aeb08b0ea973 |
| Package id | msbnk-chubu_univ-ut001140 |
| Resource type | HTML |
| State | active |