Phosphatidylcholine 16:1-18:3
URL: https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Chubu_Univ-UT001025
Dataset description:
This MassBank record with Accession MSBNK-Chubu_Univ-UT001025 contains the MS2 mass spectrum of Phosphatidylcholine 16:1-18:3 with the InChIkey XIVMVZLGWNNXST-DGUBAHAQSA-N.
Source: Phosphatidylcholine 16:1-18:3
Chemical Info
| InChI | InChI=1S/C42H76NO8P/c1-6-8-10-12-14-16-18-20-21-23-25-27-29-31-33-35-42(45)51-40(39-50-52(46,47)49-37-36-43(3,4)5)38-48-41(44)34-32-30-28-26-24-22-19-17-15-13-11-9-7-2/h18,20,23,25,28-31,40H,6-17,19,21-22,24,26-27,32-39H2,1-5H3/b20-18-,25-23-,30-28-,31-29- |
|---|---|
| SMILES | C(COC(=O)CCC=CCCCCCCCCCCC)(COP(OCC[N+1](C)(C)C)([O-1])=O)OC(=O)CCC=CCC=CCC=CCCCCCCC |
| InChI Key | XIVMVZLGWNNXST-DGUBAHAQSA-N |
| Molecular Formula | C42H76NO8P |
| Exact Mass | 753.531 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 | 1fcff4a2-21c8-481e-a8a9-d41123c7e588 |
| Package id | msbnk-chubu_univ-ut001025 |
| Resource type | HTML |
| State | active |