Azithromycin
URL: https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Athens_Univ-AU105203
Dataset description:
This MassBank record with Accession MSBNK-Athens_Univ-AU105203 contains the MS2 mass spectrum of Azithromycin with the InChIkey MQTOSJVFKKJCRP-OHJWJPDZSA-N.
Source: Azithromycin
Chemical Info
| InChI | InChI=1S/C38H72N2O12/c1-15-27-38(10,46)31(42)24(6)40(13)19-20(2)17-36(8,45)33(52-35-29(41)26(39(11)12)16-21(3)48-35)22(4)30(23(5)34(44)50-27)51-28-18-37(9,47-14)32(43)25(7)49-28/h20-33,35,41-43,45-46H,15-19H2,1-14H3/t20-,21-,22?,23-,24-,25+,26+,27-,28+,29-,30+,31-,32+,33-,35+,36-,37-,38-/m1/s1 |
|---|---|
| SMILES | CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)C(C)[C@@H](O[C@@H]2O[C@H](C)C[C@@H]([C@H]2O)N(C)C)[C@](C)(O)C[C@@H](C)CN(C)[C@H](C)[C@@H](O)[C@]1(C)O |
| InChI Key | MQTOSJVFKKJCRP-OHJWJPDZSA-N |
| Molecular Formula | C38H72N2O12 |
| Exact Mass | 748.509 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-ShareAlike 4.0 International (CC BY-SA 4.0) |
| Id | d695d4e9-dcb2-42e1-a11d-cb167e8a61ea |
| Package id | msbnk-athens_univ-au105203 |
| Resource type | HTML |
| State | active |