| SpectraBase Spectrum ID |
GbkRHmKda7I |
| Name |
Piperacilline-M (piperacillinic acid) MS3_1 |
| Comments |
F: ITMS + c ESI d w Full ms3 [email protected] [email protected] [95.00-405.00] |
| Copyright |
Copyright © 2018-2025 Wiley-VCH GmbH. All Rights Reserved. |
| InChI |
InChI=1S/C17H19N3O6S/c1-17(2)12(16(25)26)20-14(27-17)11(15(23)24)19-13(22)10(18-8-21)9-6-4-3-5-7-9/h3-7,10-12,14,20H,1-2H3,(H3-,18,19,21,22,23,24,25,26)/p+1 |
| InChIKey |
PBFNEGPMPBAWPH-UHFFFAOYSA-O |
| Ion Polarity |
P |
| Ionization Type |
ESI |
| SMILES |
N([C+]=O)C(C(=O)NC(C1SC(C(C(O)=O)N1)(C)C)C(=O)O)C1=CC=CC=C1 |
| 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 |
