Phosphatidylethanolamine 22:1-18:2
URL: https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Chubu_Univ-UT002632
Dataset description:
This MassBank record with Accession MSBNK-Chubu_Univ-UT002632 contains the MS2 mass spectrum of Phosphatidylethanolamine 22:1-18:2 with the InChIkey MKIWGOUJSUAXPP-DFWRNDSJSA-N.
Chemical Info
InChI | InChI=1S/C45H84NO8P/c1-3-5-7-9-11-13-15-17-19-20-21-22-24-25-27-29-31-33-35-37-44(47)51-41-43(42-53-55(49,50)52-40-39-46)54-45(48)38-36-34-32-30-28-26-23-18-16-14-12-10-8-6-4-2/h26,28,31-34,43H,3-25,27,29-30,35-42,46H2,1-2H3,(H,49,50)/b28-26-,33-31-,34-32- |
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SMILES | C(C=CCCC(OC(COC(CCC=CCCCCCCCCCCCCCCCCC)=O)COP(O)(=O)OCCN)=O)C=CCCCCCCCCCC |
InChI Key | MKIWGOUJSUAXPP-DFWRNDSJSA-N |
Molecular Formula | C45H84NO8P |
Exact Mass | 797.593 g/mol |
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Additional Information
Field | Value |
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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 | 5dd360cf-9806-4942-85aa-5c5287c48de1 |
Package id | msbnk-chubu_univ-ut002632 |
Resource type | HTML |
State | active |