Phosphatidylcholine 16:1-20:4
URL: https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Chubu_Univ-UT002498
Dataset description:
This MassBank record with Accession MSBNK-Chubu_Univ-UT002498 contains the MS2 mass spectrum of Phosphatidylcholine 16:1-20:4 with the InChIkey QSBABJGBCMSZOL-RNVRRVRJSA-N.
Source: Phosphatidylcholine 16:1-20:4
Chemical Info
| InChI | InChI=1S/C44H78NO8P/c1-6-8-10-12-14-16-18-20-21-22-23-25-27-29-31-33-35-37-44(47)53-42(41-52-54(48,49)51-39-38-45(3,4)5)40-50-43(46)36-34-32-30-28-26-24-19-17-15-13-11-9-7-2/h16,18,21-22,25,27,30-33,42H,6-15,17,19-20,23-24,26,28-29,34-41H2,1-5H3/b18-16-,22-21-,27-25-,32-30-,33-31- |
|---|---|
| SMILES | C(CCCCCC)=CCC=CCC=CCC=CCCC(OC(COC(=O)CCC=CCCCCCCCCCCC)COP(OCC[N+1](C)(C)C)([O-1])=O)=O |
| InChI Key | QSBABJGBCMSZOL-RNVRRVRJSA-N |
| Molecular Formula | C44H78NO8P |
| Exact Mass | 779.547 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 | 4f54b773-e1dd-4e42-a2a5-4bbbe644cd32 |
| Package id | msbnk-chubu_univ-ut002498 |
| Resource type | HTML |
| State | active |