Phosphatidylcholine 18:0-22:5
URL: https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Chubu_Univ-UT002305
Dataset description:
This MassBank record with Accession MSBNK-Chubu_Univ-UT002305 contains the MS3 mass spectrum of Phosphatidylcholine 18:0-22:5 with the InChIkey GLPAGCOJQYNMCC-QBFOOBQRSA-N.
Source: Phosphatidylcholine 18:0-22:5
Chemical Info
| InChI | InChI=1S/C48H86NO8P/c1-6-8-10-12-14-16-18-20-22-23-24-25-27-29-31-33-35-37-39-41-48(51)57-46(45-56-58(52,53)55-43-42-49(3,4)5)44-54-47(50)40-38-36-34-32-30-28-26-21-19-17-15-13-11-9-7-2/h14,16,20,22,24-25,29,31,35,37,46H,6-13,15,17-19,21,23,26-28,30,32-34,36,38-45H2,1-5H3/b16-14-,22-20-,25-24-,31-29-,37-35- |
|---|---|
| SMILES | C(=CCC=CCCC(=O)OC(COC(CCCCCCCCCCCCCCCCC)=O)COP(OCC[N+1](C)(C)C)([O-1])=O)CC=CCC=CCC=CCCCCC |
| InChI Key | GLPAGCOJQYNMCC-QBFOOBQRSA-N |
| Molecular Formula | C48H86NO8P |
| Exact Mass | 835.609 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 | aa40ae50-7f37-4e94-9e3f-1633393efc2b |
| Package id | msbnk-chubu_univ-ut002305 |
| Resource type | HTML |
| State | active |