Rifampin
URL: https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Waters-WA002030
Dataset description:
This MassBank record with Accession MSBNK-Waters-WA002030 contains the MS mass spectrum of Rifampin with the InChIkey JQXXHWHPUNPDRT-WLSIYKJHSA-N.
Source: Rifampin
Chemical Info
| InChI | InChI=1S/C43H58N4O12/c1-21-12-11-13-22(2)42(55)45-33-28(20-44-47-17-15-46(9)16-18-47)37(52)30-31(38(33)53)36(51)26(6)40-32(30)41(54)43(8,59-40)57-19-14-29(56-10)23(3)39(58-27(7)48)25(5)35(50)24(4)34(21)49/h11-14,19-21,23-25,29,34-35,39,49-53H,15-18H2,1-10H3,(H,45,55)/b12-11+,19-14+,22-13-,44-20+/t21-,23+,24+,25+,29-,34-,35+,39+,43-/m0/s1 |
|---|---|
| SMILES | Oc(c21)c(C=NN(C5)CCN(C)C5)c(N4)c(O)c1c(O)c(C)c(O3)c2C(=O)C(C)3OC=CC(C(C(C(C)C(C(C(O)C(C=CC=C(C)C4=O)C)C)O)OC(C)=O)C)OC |
| InChI Key | JQXXHWHPUNPDRT-WLSIYKJHSA-N |
| Molecular Formula | C43H58N4O12 |
| Exact Mass | 822.405 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 | 4f2a9b50-e4df-48ca-98d7-d9e7c6bcdaf5 |
| Package id | msbnk-waters-wa002030 |
| Resource type | HTML |
| State | active |