Phosphatidylcholine 14:0-18:2 / 16:1-16:1
URL: https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Chubu_Univ-UT003108
Dataset description:
This MassBank record with Accession MSBNK-Chubu_Univ-UT003108 contains the MS3 mass spectrum of Phosphatidylcholine 14:0-18:2 / 16:1-16:1 with the InChIkey HFTBSDQGHFZXHL-DAZNOVPZSA-N.
Chemical Info
| InChI | InChI=1S/2C40H76NO8P/c1-6-8-10-12-14-16-18-19-20-21-23-25-27-29-31-33-40(43)49-38(37-48-50(44,45)47-35-34-41(3,4)5)36-46-39(42)32-30-28-26-24-22-17-15-13-11-9-7-2;1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-39(42)46-36-38(37-48-50(44,45)47-35-34-41(3,4)5)49-40(43)33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h21,23,27,29,38H,6-20,22,24-26,28,30-37H2,1-5H3;26-29,38H,6-25,30-37H2,1-5H3/b23-21-,29-27-;28-26-,29-27- |
|---|---|
| SMILES | CCCCCCCCCCCCCC(=O)OCC(COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CC/C=C\C/C=C\CCCCCCCCCC.CCCCCCCCCCC/C=C\CCC(=O)OCC(COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CC/C=C\CCCCCCCCCCC |
| InChI Key | HFTBSDQGHFZXHL-DAZNOVPZSA-N |
| Molecular Formula | C80H152N2O16P2 |
| Exact Mass | 1459.062 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 | 1b6f19dd-4bdb-45c4-aa20-f4060378a4d5 |
| Package id | msbnk-chubu_univ-ut003108 |
| Resource type | HTML |
| State | active |