| SpectraBase Spectrum ID |
18mdk3D17Xz |
| Name |
Piperacilline-M (dealkyl-) MS2 |
| Comments |
F: ITMS + c ESI d w Full ms2 490.10 |
| Copyright |
Copyright © 2018-2025 Wiley-VCH GmbH. All Rights Reserved. |
| Formula |
C21H23N5O7S |
| InChI |
InChI=1S/C21H23N5O7S/c1-21(2)13(19(31)32)26-16(29)12(18(26)34-21)23-14(27)11(10-6-4-3-5-7-10)24-20(33)25-9-8-22-15(28)17(25)30/h3-7,11-13,18H,8-9H2,1-2H3,(H,22,28)(H,23,27)(H,24,33)(H,31,32) |
| InChIKey |
MKBNTPDMOZKDSO-UHFFFAOYSA-N |
| Ion Polarity |
P |
| Ionization Type |
ESI |
| SMILES |
N1C(C(N(C(=O)NC(C(=O)NC2C(N3C(C(O)=O)C(SC23)(C)C)=O)C2=CC=CC=C2)CC1)=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: Metabolite |
| Source of Spectrum |
Maurer/Wissenbach/Weber, Saarland University |
| Spectrum Type |
ms2 |
| Technique |
ITMS |
