| SpectraBase Compound ID | 8vjKAAsPPzh |
|---|---|
| InChI | InChI=1S/C23H30N12O8S2/c1-23(2,20(40)41)43-31-11(15-30-21(26)45-32-15)16(36)29-12-17(37)35-13(19(38)39)9(8-44-18(12)35)6-34-7-10(14(25)33(34)3)28-22(42)27-5-4-24/h7,12,18,25H,4-6,8,24H2,1-3H3,(H7,26,27,28,29,30,32,36,38,39,40,41,42)/b31-11+ |
| InChIKey | JHFNIHVVXRKLEF-QFDQHJFZSA-N |
| Mol Weight | 666.69 g/mol |
| Molecular Formula | C23H30N12O8S2 |
| Exact Mass | 666.175098 g/mol |
Mass Spectrum (LC)
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| SpectraBase Spectrum ID | 7KPvmPdBmS |
|---|---|
| Name | Ceftolozane MS2 |
| Comments | F: ITMS + c ESI d w Full ms2 [email protected] [170.00-680.00] |
| Copyright | Copyright © 2018-2025 Wiley-VCH GmbH. All Rights Reserved. |
| Formula | C23H30N12O8S2 |
| InChI | InChI=1S/C23H30N12O8S2/c1-23(2,20(40)41)43-31-11(15-30-21(26)45-32-15)16(36)29-12-17(37)35-13(19(38)39)9(8-44-18(12)35)6-34-7-10(14(25)33(34)3)28-22(42)27-5-4-24/h7,12,18,25H,4-6,8,24H2,1-3H3,(H7,26,27,28,29,30,32,36,38,39,40,41,42)/b31-11+ |
| InChIKey | JHFNIHVVXRKLEF-QFDQHJFZSA-N |
| Ion Polarity | P |
| Ionization Type | ESI |
| SMILES | N(C1C(N2C(=C(C[N+]3=CC(=C(N3C)N)NC(NCCN)=O)CSC12)C(=O)[O-])=O)C(\C(C=1N=C(SN1)N)=N/OC(C)(C)C(=O)O)=O |
| Sample Comments | The MWW Reference Handbook and associated table are attached to Record #1, under the Attachments tab. Refer to these references for the sample preparation procedure and abbreviations, as well as other relevant information pertaining to this database. |
| Sample Description | Analyte Type: Parent |
| Source of Spectrum | Maurer/Wissenbach/Weber, Saarland University |
| Spectrum Type | ms2 |
| Technique | ITMS |