| SpectraBase Spectrum ID |
B0LvlrSzGkS |
| Name |
Pantoprazole-M (2-acetylamino-3-propionic acid) MS2 |
| Comments |
F: ITMS + c ESI d w Full ms2 346.10 |
| Copyright |
Copyright © 2018-2025 Wiley-VCH GmbH. All Rights Reserved. |
| Formula |
C13H13F2N3O4S |
| InChI |
InChI=1S/C13H13F2N3O4S/c1-6(19)16-10(11(20)21)5-23-13-17-8-3-2-7(22-12(14)15)4-9(8)18-13/h2-4,10,12H,5H2,1H3,(H,16,19)(H,17,18)(H,20,21) |
| InChIKey |
SWJFDJYAWPSEGC-UHFFFAOYSA-N |
| Ion Polarity |
P |
| Ionization Type |
ESI |
| SMILES |
N1C(SCC(C(O)=O)NC(=O)C)=NC=2C=C(C=CC12)OC(F)F |
| 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 |
