| SpectraBase Spectrum ID |
34yAd40KIIf |
| Name |
Diltiazem-M (deacetyl-O-demethyl-N-demethyl-) MS2 |
| Comments |
F: ITMS + c ESI d w Full ms2 345.10 |
| Copyright |
Copyright © 2018-2025 Wiley-VCH GmbH. All Rights Reserved. |
| Formula |
C18H20N2O3S |
| InChI |
InChI=1S/C18H20N2O3S/c1-19-10-11-20-14-4-2-3-5-15(14)24-17(16(22)18(20)23)12-6-8-13(21)9-7-12/h2-9,16-17,19,21-22H,10-11H2,1H3 |
| InChIKey |
ZTRZZXJIQHVVGS-UHFFFAOYSA-N |
| Ion Polarity |
P |
| Ionization Type |
ESI |
| SMILES |
N(C)CCN1C2=C(SC(C(C1=O)O)C=1C=CC(O)=CC1)C=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 |
ms2 |
| Technique |
ITMS |
