Ceftriaxone
URL: https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Waters-WA001730
Dataset description:
This MassBank record with Accession MSBNK-Waters-WA001730 contains the MS mass spectrum of Ceftriaxone with the InChIkey VAAUVRVFOQPIGI-SPQHTLEESA-N.
Source: Ceftriaxone
Chemical Info
| InChI | InChI=1S/C18H18N8O7S3/c1-25-18(22-12(28)13(29)23-25)36-4-6-3-34-15-9(14(30)26(15)10(6)16(31)32)21-11(27)8(24-33-2)7-5-35-17(19)20-7/h5,9,15H,3-4H2,1-2H3,(H2,19,20)(H,21,27)(H,23,29)(H,31,32)/b24-8-/t9-,15-/m1/s1 |
|---|---|
| SMILES | CON=C(C(=O)NC(C(=O)2)C([H])(S3)N(C(C(O)=O)=C(CSC(=N4)N(C)N=C(O)C(=O)4)C3)2)c(c1)nc(N)s1 |
| InChI Key | VAAUVRVFOQPIGI-SPQHTLEESA-N |
| Molecular Formula | C18H18N8O7S3 |
| Exact Mass | 554.046 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 | e6bf7315-96eb-4e2d-b297-e7adf809b3d7 |
| Package id | msbnk-waters-wa001730 |
| Resource type | HTML |
| State | active |