Phosphatidylcholine 18:0-20:2
URL: https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Chubu_Univ-UT002781
Dataset description:
This MassBank record with Accession MSBNK-Chubu_Univ-UT002781 contains the MS2 mass spectrum of Phosphatidylcholine 18:0-20:2 with the InChIkey QLAPQVPZKNRKSF-ZUOCNPMVSA-N.
Source: Phosphatidylcholine 18:0-20:2
Chemical Info
| InChI | InChI=1S/C46H88NO8P/c1-6-8-10-12-14-16-18-20-22-23-25-27-29-31-33-35-37-39-46(49)55-44(43-54-56(50,51)53-41-40-47(3,4)5)42-52-45(48)38-36-34-32-30-28-26-24-21-19-17-15-13-11-9-7-2/h27,29,33,35,44H,6-26,28,30-32,34,36-43H2,1-5H3/b29-27-,35-33- |
|---|---|
| SMILES | C(CCCCCCCC(=O)OCC(OC(CCC=CCC=CCCCCCCCCCCCC)=O)COP(OCC[N+1](C)(C)C)([O-1])=O)CCCCCCCCC |
| InChI Key | QLAPQVPZKNRKSF-ZUOCNPMVSA-N |
| Molecular Formula | C46H88NO8P |
| Exact Mass | 813.625 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 | 9bdd3203-8eb5-4bd1-bf4d-21e83a4bb32d |
| Package id | msbnk-chubu_univ-ut002781 |
| Resource type | HTML |
| State | active |