Phosphatidylcholine 16:1-18:2
URL: https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Chubu_Univ-UT001024
Dataset description:
This MassBank record with Accession MSBNK-Chubu_Univ-UT001024 contains the MS2 mass spectrum of Phosphatidylcholine 16:1-18:2 with the InChIkey XSSJXFBQZLYYFK-TVGXXSNYSA-N.
Source: Phosphatidylcholine 16:1-18:2
Chemical Info
| InChI | InChI=1S/C42H78NO8P/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/h23,25,28-31,40H,6-22,24,26-27,32-39H2,1-5H3/b25-23-,30-28-,31-29- |
|---|---|
| SMILES | C(COP(OCC(COC(=O)CCC=CCCCCCCCCCCC)OC(=O)CCC=CCC=CCCCCCCCCCC)([O-1])=O)[N+1](C)(C)C |
| InChI Key | XSSJXFBQZLYYFK-TVGXXSNYSA-N |
| Molecular Formula | C42H78NO8P |
| Exact Mass | 755.547 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 | a32d5157-0eb9-4fd5-8026-32762679828b |
| Package id | msbnk-chubu_univ-ut001024 |
| Resource type | HTML |
| State | active |