PGE2
URL: https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Chubu_Univ-UT000349
Dataset description:
This MassBank record with Accession MSBNK-Chubu_Univ-UT000349 contains the MS2 mass spectrum of PGE2 with the InChIkey XEYBRNLFEZDVAW-ARSRFYASSA-N.
Source: PGE2
Chemical Info
| InChI | InChI=1S/C20H32O5/c1-2-3-6-9-15(21)12-13-17-16(18(22)14-19(17)23)10-7-4-5-8-11-20(24)25/h4,7,12-13,15-17,19,21,23H,2-3,5-6,8-11,14H2,1H3,(H,24,25)/b7-4-,13-12+/t15-,16+,17+,19+/m0/s1 |
|---|---|
| SMILES | CCCCC[C@@H](/C=C/[C@H]1[C@@H](CC(=O)[C@@H]1C/C=C\CCCC(=O)O)O)O |
| InChI Key | XEYBRNLFEZDVAW-ARSRFYASSA-N |
| Molecular Formula | C20H32O5 |
| Exact Mass | 352.225 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 | 54c00d79-bc97-4f17-8dbd-c5a4d0bb7edb |
| Package id | msbnk-chubu_univ-ut000349 |
| Resource type | HTML |
| State | active |