SAmPAP
URL: https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Eawag-EQ01161352
Dataset description:
This MassBank record with Accession MSBNK-Eawag-EQ01161352 contains the MS2 mass spectrum of SAmPAP with the InChIkey JRSUJBJSUYPODE-UHFFFAOYSA-N.
Source: SAmPAP
Chemical Info
| InChI | InChI=1S/C12H11F17NO6PS/c1-2-30(3-4-36-37(31,32)33)38(34,35)12(28,29)10(23,24)8(19,20)6(15,16)5(13,14)7(17,18)9(21,22)11(25,26)27/h2-4H2,1H3,(H2,31,32,33) |
|---|---|
| SMILES | CCN(CCOP(=O)(O)O)S(=O)(=O)C(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F |
| InChI Key | JRSUJBJSUYPODE-UHFFFAOYSA-N |
| Molecular Formula | C12H11F17NO6PS |
| Exact Mass | 650.977 g/mol |
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Additional Information
| Field | Value |
|---|---|
| Data last updated | February 9, 2025 |
| Metadata last updated | February 9, 2025 |
| Created | February 9, 2025 |
| Format | HTML |
| License | Attribution-ShareAlike 4.0 International (CC BY-SA 4.0) |
| Id | 7ec6969e-9d79-4b57-9cc2-2610c798ff27 |
| Package id | msbnk-eawag-eq01161352 |
| Resource type | HTML |
| State | active |