| SpectraBase Spectrum ID |
4MgchxeK5Xk |
| Name |
Omeprazole MS2 |
| CAS Registry Number |
73590-58-6 |
| Comments |
F: ITMS + c ESI d w Full ms2 346.10 |
| Copyright |
Copyright © 2018-2025 Wiley-VCH GmbH. All Rights Reserved. |
| Formula |
C17H19N3O3S |
| InChI |
InChI=1S/C17H19N3O3S/c1-10-8-18-15(11(2)16(10)23-4)9-24(21)17-19-13-6-5-12(22-3)7-14(13)20-17/h5-8H,9H2,1-4H3,(H,19,20) |
| InChIKey |
SUBDBMMJDZJVOS-UHFFFAOYSA-N |
| Ion Polarity |
P |
| Ionization Type |
ESI |
| SMILES |
N1C(=NC2=C1C=C(C=C2)OC)S(=O)CC1=NC=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: Parent |
| Source of Spectrum |
Maurer/Wissenbach/Weber, Saarland University |
| Spectrum Type |
ms2 |
| Technique |
ITMS |
