| SpectraBase Spectrum ID |
ItkKokNjJb7 |
| Name |
Flucloxacillin-M (di-HO-ring) MS3_1 |
| Comments |
T: ITMS + c ESI d w Full ms3 [email protected] [email protected] [110.00-465.00] |
| Copyright |
Copyright © 2018-2025 Wiley-VCH GmbH. All Rights Reserved. |
| InChI |
InChI=1S/C18H13ClFN3O6S/c1-5-10(14(22-29-5)11-12(19)8(25)3-9(26)13(11)20)16(27)21-15-17(28)23-7(4-24)6(2)30-18(15)23/h3-4,15,18H,1-2H3,(H3-,21,24,25,26,27)/p+1/b7-4- |
| InChIKey |
VQVHRQSMZGWATB-DAXSKMNVSA-O |
| Ion Polarity |
P |
| Ionization Type |
ESI |
| SMILES |
N(C1C(N2C1S[C+](\C2=C\O)C)=O)C(C=1C(C2=C(C(=CC(=C2Cl)O)O)F)=NOC1C)=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 |
ms3 |
| Technique |
ITMS |
