| SpectraBase Spectrum ID |
5pOKKqKbQ0 |
| Name |
Diltiazem-M (O-demethyl-N-demethyl-) MS2 |
| Comments |
F: ITMS + c ESI d w Full ms2 387.10 |
| Copyright |
Copyright © 2018-2025 Wiley-VCH GmbH. All Rights Reserved. |
| Formula |
C20H22N2O4S |
| InChI |
InChI=1S/C20H22N2O4S/c1-13(23)26-18-19(14-7-9-15(24)10-8-14)27-17-6-4-3-5-16(17)22(20(18)25)12-11-21-2/h3-10,18-19,21,24H,11-12H2,1-2H3 |
| InChIKey |
WRFWPKPPSGMXIS-UHFFFAOYSA-N |
| Ion Polarity |
P |
| Ionization Type |
ESI |
| SMILES |
N(C)CCN1C(C(C(C=2C=CC(=CC2)O)SC2=C1C=CC=C2)OC(C)=O)=O |
| 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 |
