Phosphatidylcholine 19:1-18:2
URL: https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Chubu_Univ-UT003039
Dataset description:
This MassBank record with Accession MSBNK-Chubu_Univ-UT003039 contains the MS3 mass spectrum of Phosphatidylcholine 19:1-18:2 with the InChIkey BLCTXUGKOYYBFA-DFWRNDSJSA-N.
Source: Phosphatidylcholine 19:1-18:2
Chemical Info
| InChI | InChI=1S/C45H84NO8P/c1-6-8-10-12-14-16-18-20-22-24-25-27-29-31-33-35-37-44(47)51-41-43(42-53-55(49,50)52-40-39-46(3,4)5)54-45(48)38-36-34-32-30-28-26-23-21-19-17-15-13-11-9-7-2/h26,28,31-34,43H,6-25,27,29-30,35-42H2,1-5H3/b28-26-,33-31-,34-32- |
|---|---|
| SMILES | C(CCC=CCC=CCCCCCCCCCC)(OC(COC(=O)CCC=CCCCCCCCCCCCCCC)COP(OCC[N+1](C)(C)C)([O-1])=O)=O |
| InChI Key | BLCTXUGKOYYBFA-DFWRNDSJSA-N |
| Molecular Formula | C45H84NO8P |
| Exact Mass | 797.593 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 | 927df992-1ac6-4805-91af-e2bf1d940623 |
| Package id | msbnk-chubu_univ-ut003039 |
| Resource type | HTML |
| State | active |