Norgestimate
URL: https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Athens_Univ-AU280005
Dataset description:
This MassBank record with Accession MSBNK-Athens_Univ-AU280005 contains the MS2 mass spectrum of Norgestimate with the InChIkey KIQQMECNKUGGKA-NMYWJIRASA-N.
Source: Norgestimate; LC-ESI-QTOF; MS2; CE: 50 eV; R=35000; [M+H]+
Chemical Info
| InChI | InChI=1S/C23H31NO3/c1-4-22-12-10-19-18-9-7-17(24-26)14-16(18)6-8-20(19)21(22)11-13-23(22,5-2)27-15(3)25/h2,14,18-21,26H,4,6-13H2,1,3H3/b24-17+/t18-,19+,20+,21-,22-,23-/m0/s1 |
|---|---|
| SMILES | CC[C@]12CC[C@H]3[C@@H](CCC4=C\C(CC[C@H]34)=N\O)[C@@H]1CC[C@@]2(OC(C)=O)C#C |
| InChI Key | KIQQMECNKUGGKA-NMYWJIRASA-N |
| Exact Mass | 369.230 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 4.0 International (CC BY 4.0) |
| Id | 28b4e19f-1250-4b20-a854-051cdde8caa8 |
| Package id | msbnk-athens_univ-au280005 |
| Resource type | HTML |
| State | active |