| SpectraBase Spectrum ID |
3a7hVJ3FRmX |
| Name |
Diltiazem-M (N-oxide) MS3_1 |
| Comments |
F: ITMS + c ESI d w Full ms3 [email protected] [email protected] [90.00-385.00] |
| Copyright |
Copyright © 2018-2025 Wiley-VCH GmbH. All Rights Reserved. |
| Formula |
C20H18NO4S |
| InChI |
InChI=1S/C20H20NO4S/c1-4-21-16-7-5-6-8-17(16)26-19(18(20(21)23)25-13(2)22)14-9-11-15(24-3)12-10-14/h5-12,18-19H,1,4H2,2-3H3/q+1 |
| InChIKey |
KZWFJHIELCILFS-UHFFFAOYSA-N |
| Ion Polarity |
P |
| Ionization Type |
ESI |
| SMILES |
[CH2+]CN1C(=O)C(OC(C)=O)C(C=2C=CC(=CC2)OC)SC2=C1C=CC=C2 |
| 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 |
