Phosphatidylcholine 18:1-22:6
URL: https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Chubu_Univ-UT002063
Dataset description:
This MassBank record with Accession MSBNK-Chubu_Univ-UT002063 contains the MS2 mass spectrum of Phosphatidylcholine 18:1-22:6 with the InChIkey SXQSZXLPXRGKHG-SUMKQPSKSA-N.
Source: Phosphatidylcholine 18:1-22:6
Chemical Info
| InChI | InChI=1S/C48H82NO8P/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/h8,10,14,16,20,22,24-25,29,31,34-37,46H,6-7,9,11-13,15,17-19,21,23,26-28,30,32-33,38-45H2,1-5H3/b10-8-,16-14-,22-20-,25-24-,31-29-,36-34-,37-35- |
|---|---|
| SMILES | C(CC=CCC=CCC=CCC=CCC=CCC=CCC)C(OC(COC(=O)CCC=CCCCCCCCCCCCCC)COP([O-1])(=O)OCC[N+1](C)(C)C)=O |
| InChI Key | SXQSZXLPXRGKHG-SUMKQPSKSA-N |
| Molecular Formula | C48H82NO8P |
| Exact Mass | 831.578 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 | 2dcf7d92-5925-4135-b5fe-e30eaefe30b1 |
| Package id | msbnk-chubu_univ-ut002063 |
| Resource type | HTML |
| State | active |