Clarithromycin N-Oxide
URL: https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Eawag-EQ344607
Dataset description:
This MassBank record with Accession MSBNK-Eawag-EQ344607 contains the MS2 mass spectrum of Clarithromycin N-Oxide with the InChIkey KDRPFIWYMNONLJ-KCBOHYOISA-N.
Source: Clarithromycin N-Oxide; LC-ESI-QFT; MS2; CE: 120; R=35000; [M+H]+
Chemical Info
| InChI | InChI=1S/C38H69NO14/c1-15-26-38(10,45)31(42)21(4)28(40)19(2)17-37(9,48-14)33(53-35-29(41)25(39(11,12)46)16-20(3)49-35)22(5)30(23(6)34(44)51-26)52-27-18-36(8,47-13)32(43)24(7)50-27/h19-27,29-33,35,41-43,45H,15-18H2,1-14H3/t19-,20-,21+,22+,23-,24+,25+,26-,27+,29-,30+,31-,32+,33-,35+,36-,37-,38-/m1/s1 |
|---|---|
| SMILES | [O-][N+](C)(C)[C@H]3C[C@@H](C)O[C@@H](O[C@@H]2[C@@H](C)[C@H](O[C@H]1C[C@@](C)(OC)[C@@H](O)[C@H](C)O1)[C@@H](C)C(=O)O[C@H](CC)[C@@](C)(O)[C@H](O)[C@@H](C)C(=O)[C@H](C)C[C@@]2(C)OC)[C@@H]3O |
| InChI Key | KDRPFIWYMNONLJ-KCBOHYOISA-N |
| Exact Mass | 763.472 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 | 6287c8ff-076f-4301-bfe9-f60bf3092f9f |
| Package id | msbnk-eawag-eq344607 |
| Resource type | HTML |
| State | active |