| SpectraBase Spectrum ID |
6UI2kHQ7izA |
| Name |
Omeprazole-M (rearrangement product 1-sulfate) MS3_1 |
| Comments |
T: ITMS + c ESI d w Full ms3 [email protected] [email protected] |
| Copyright |
Copyright © 2018-2025 Wiley-VCH GmbH. All Rights Reserved. |
| Formula |
C17H20N3O3S |
| InChI |
InChI=1S/C17H19N3O3S/c1-10-8-20(15(9-24-21)11(2)16(10)23-4)17-18-13-6-5-12(22-3)7-14(13)19-17/h5-8H,9H2,1-4H3,(H-,18,19,21)/p+1 |
| InChIKey |
KTNOOKRFAODYEK-UHFFFAOYSA-O |
| Ion Polarity |
P |
| Ionization Type |
ESI |
| SMILES |
N1C([N+]2=C(CSO)C(=C(C(=C2)C)OC)C)=NC2=C1C=C(C=C2)OC |
| 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 |
