| SpectraBase Spectrum ID |
8zwCIGnk8W |
| Name |
Omeprazole-M (rearrangement product 2) MS2 |
| Comments |
F: ITMS + c ESI d w Full ms2 328.10 |
| Copyright |
Copyright © 2018-2025 Wiley-VCH GmbH. All Rights Reserved. |
| Formula |
C17H18N3O2S |
| InChI |
InChI=1S/C17H18N3O2S/c1-10-8-19-15(11(2)16(10)22-4)9-23-20-14-7-12(21-3)5-6-13(14)18-17(19)20/h5-8H,9H2,1-4H3/q+1 |
| InChIKey |
NNKKOITVFGCNKQ-UHFFFAOYSA-N |
| Ion Polarity |
P |
| Ionization Type |
ESI |
| SMILES |
C1=2N=C3N(C2C=C(C=C1)OC)SCC1=[N+]3C=C(C(=C1C)OC)C |
| 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 |
