| SpectraBase Spectrum ID |
9peWG107mq |
| Name |
Flucloxacillin-M (di-HO-ring) MS2 |
| Comments |
F: ITMS + c ESI d w Full ms2 486.10 |
| Copyright |
Copyright © 2018-2025 Wiley-VCH GmbH. All Rights Reserved. |
| Formula |
C19H17ClFN3O7S |
| InChI |
InChI=1S/C19H17ClFN3O7S/c1-5-8(12(23-31-5)9-10(20)6(25)4-7(26)11(9)21)15(27)22-13-16(28)24-14(18(29)30)19(2,3)32-17(13)24/h4,13-14,17,25-26H,1-3H3,(H,22,27)(H,29,30) |
| InChIKey |
QIYAPHXYDQVQBO-UHFFFAOYSA-N |
| Ion Polarity |
P |
| Ionization Type |
ESI |
| SMILES |
N(C(C1=C(ON=C1C1=C(C(=CC(=C1Cl)O)O)F)C)=O)C1C(N2C(C(=O)O)C(SC12)(C)C)=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: Metabolite |
| Source of Spectrum |
Maurer/Wissenbach/Weber, Saarland University |
| Spectrum Type |
ms2 |
| Technique |
ITMS |
