Phosphatidylcholine 16:0-22:6
URL: https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Chubu_Univ-UT002040
Dataset description:
This MassBank record with Accession MSBNK-Chubu_Univ-UT002040 contains the MS2 mass spectrum of Phosphatidylcholine 16:0-22:6 with the InChIkey IESVDEZGAHUQJU-SYGPSSPWSA-N.
Source: Phosphatidylcholine 16:0-22:6
Chemical Info
| InChI | InChI=1S/C46H80NO8P/c1-6-8-10-12-14-16-18-20-21-22-23-24-25-27-29-31-33-35-37-39-46(49)55-44(43-54-56(50,51)53-41-40-47(3,4)5)42-52-45(48)38-36-34-32-30-28-26-19-17-15-13-11-9-7-2/h8,10,14,16,20-21,23-24,27,29,33,35,44H,6-7,9,11-13,15,17-19,22,25-26,28,30-32,34,36-43H2,1-5H3/b10-8-,16-14-,21-20-,24-23-,29-27-,35-33- |
|---|---|
| SMILES | C(CCCCCCCC(=O)OCC(COP(OCC[N+1](C)(C)C)([O-1])=O)OC(=O)CCC=CCC=CCC=CCC=CCC=CCC=CCC)CCCCCCC |
| InChI Key | IESVDEZGAHUQJU-SYGPSSPWSA-N |
| Molecular Formula | C46H80NO8P |
| Exact Mass | 805.562 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 | 3738e76d-5900-4a8d-940a-54710f927e3f |
| Package id | msbnk-chubu_univ-ut002040 |
| Resource type | HTML |
| State | active |