Phosphatidylcholine 18:1-18:1
URL: https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Chubu_Univ-UT002058
Dataset description:
This MassBank record with Accession MSBNK-Chubu_Univ-UT002058 contains the MS2 mass spectrum of Phosphatidylcholine 18:1-18:1 with the InChIkey CTNCUXPCGXYRIB-UOALMSBLSA-N.
Source: Phosphatidylcholine 18:1-18:1
Chemical Info
| InChI | InChI=1S/C44H84NO8P/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-43(46)50-40-42(41-52-54(48,49)51-39-38-45(3,4)5)53-44(47)37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h30-33,42H,6-29,34-41H2,1-5H3/b32-30-,33-31- |
|---|---|
| SMILES | C(CCCCCCCCC)CCCC=CCCC(OC(COC(=O)CCC=CCCCCCCCCCCCCC)COP(OCC[N+1](C)(C)C)([O-1])=O)=O |
| InChI Key | CTNCUXPCGXYRIB-UOALMSBLSA-N |
| Molecular Formula | C44H84NO8P |
| Exact Mass | 785.593 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 | 01c05ade-cf39-4ed8-b21c-98c328087dd1 |
| Package id | msbnk-chubu_univ-ut002058 |
| Resource type | HTML |
| State | active |