Cefoperazone
URL: https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Athens_Univ-AU105004
Dataset description:
This MassBank record with Accession MSBNK-Athens_Univ-AU105004 contains the MS2 mass spectrum of Cefoperazone with the InChIkey GCFBRXLSHGKWDP-WJONJSRFSA-N.
Source: Cefoperazone
Chemical Info
| InChI | InChI=1S/C25H27N9O8S2/c1-3-32-8-9-33(21(39)20(32)38)24(42)27-15(12-4-6-14(35)7-5-12)18(36)26-16-19(37)34-17(23(40)41)13(10-43-22(16)34)11-44-25-28-29-30-31(25)2/h4-7,15-16,22,35H,3,8-11H2,1-2H3,(H,26,36)(H,27,42)(H,40,41)/t15-,16+,22+/m0/s1 |
|---|---|
| SMILES | O=C2N1/C(=C(\CS[C@@H]1[C@@H]2NC(=O)[C@H](c3ccc(O)cc3)NC(=O)N4C(=O)C(=O)N(CC)CC4)CSc5nnnn5C)C(=O)O |
| InChI Key | GCFBRXLSHGKWDP-WJONJSRFSA-N |
| Molecular Formula | C25H27N9O8S2 |
| Exact Mass | 645.142 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 | bb722524-1715-4c25-a46e-8b0b5e6a4305 |
| Package id | msbnk-athens_univ-au105004 |
| Resource type | HTML |
| State | active |