Cefotaxime
URL: https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Waters-WA001737
Dataset description:
This MassBank record with Accession MSBNK-Waters-WA001737 contains the MS mass spectrum of Cefotaxime with the InChIkey GPRBEKHLDVQUJE-VINNURBNSA-N.
Source: Cefotaxime
Chemical Info
| InChI | InChI=1S/C16H17N5O7S2/c1-6(22)28-3-7-4-29-14-10(13(24)21(14)11(7)15(25)26)19-12(23)9(20-27-2)8-5-30-16(17)18-8/h5,10,14H,3-4H2,1-2H3,(H2,17,18)(H,19,23)(H,25,26)/b20-9+/t10-,14-/m1/s1 |
|---|---|
| SMILES | CON=C(c(c3)nc(N)s3)C(=O)NC([H])(C(=O)1)C([H])(S2)N(C(C(O)=O)=C(COC(C)=O)C2)1 |
| InChI Key | GPRBEKHLDVQUJE-VINNURBNSA-N |
| Molecular Formula | C16H17N5O7S2 |
| Exact Mass | 455.057 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 | 391b4d98-6d52-4885-a05d-b381a71ff2fe |
| Package id | msbnk-waters-wa001737 |
| Resource type | HTML |
| State | active |