Buprenorphine
URL: https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Waters-WA000945
Dataset description:
This MassBank record with Accession MSBNK-Waters-WA000945 contains the MS mass spectrum of Buprenorphine with the InChIkey RMRJXGBAOAMLHD-IHFGGWKQSA-N.
Source: Buprenorphine
Chemical Info
| InChI | InChI=1S/C29H41NO4/c1-25(2,3)26(4,32)20-15-27-10-11-29(20,33-5)24-28(27)12-13-30(16-17-6-7-17)21(27)14-18-8-9-19(31)23(34-24)22(18)28/h8-9,17,20-21,24,31-32H,6-7,10-16H2,1-5H3/t20-,21-,24-,26+,27-,28+,29-/m1/s1 |
|---|---|
| SMILES | C(C(C)(C)C)(C)(O)C(C(OC)16)CC(C473)(C(Cc(c5)c4c(OC67)c(O)c5)N(CC3)CC(C2)C2)CC1 |
| InChI Key | RMRJXGBAOAMLHD-IHFGGWKQSA-N |
| Molecular Formula | C29H41NO4 |
| Exact Mass | 467.304 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 4.0 International (CC BY-NC 4.0) |
| Id | c542023a-eb33-4c31-abf4-2bf71ace0680 |
| Package id | msbnk-waters-wa000945 |
| Resource type | HTML |
| State | active |