Phosphatidylinositol 18:1-18:0
URL: https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Chubu_Univ-UT001486
Dataset description:
This MassBank record with Accession MSBNK-Chubu_Univ-UT001486 contains the MS2 mass spectrum of Phosphatidylinositol 18:1-18:0 with the InChIkey WQMQEJCRDIIRGN-VWFGVUABSA-N.
Source: Phosphatidylinositol 18:1-18:0
Chemical Info
| InChI | InChI=1S/C45H85O13P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-38(46)55-35-37(36-56-59(53,54)58-45-43(51)41(49)40(48)42(50)44(45)52)57-39(47)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h27,29,37,40-45,48-52H,3-26,28,30-36H2,1-2H3,(H,53,54)/b29-27-/t37?,40-,41-,42+,43-,44-,45-/m1/s1 |
|---|---|
| SMILES | C(CCCCCCCC)CCCCC=CCCC(=O)OCC(COP(OC(C(O)1)C(O)C(O)C(O)C(O)1)(O)=O)OC(CCCCCCCCCCCCCCCCC)=O |
| InChI Key | WQMQEJCRDIIRGN-VWFGVUABSA-N |
| Molecular Formula | C45H85O13P |
| Exact Mass | 864.573 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 | b48dcf8e-e29e-45d3-841b-53c68cdbbc2a |
| Package id | msbnk-chubu_univ-ut001486 |
| Resource type | HTML |
| State | active |