| SpectraBase Spectrum ID |
9pWiJrRePw |
| Name |
Diltiazem-M (N-oxide) MS2 |
| Comments |
F: ITMS + c ESI d w Full ms2 431.30 |
| Copyright |
Copyright © 2018-2025 Wiley-VCH GmbH. All Rights Reserved. |
| Formula |
C22H27N2O5S |
| InChI |
InChI=1S/C22H27N2O5S/c1-15(25)29-20-21(16-9-11-17(28-4)12-10-16)30-19-8-6-5-7-18(19)23(22(20)26)13-14-24(2,3)27/h5-12,20-21,27H,13-14H2,1-4H3/q+1 |
| InChIKey |
MMSDTIYQERUVJJ-UHFFFAOYSA-N |
| Ion Polarity |
P |
| Ionization Type |
ESI |
| SMILES |
O[N+](C)(C)CCN1C(C(OC(C)=O)C(SC2=C1C=CC=C2)C=1C=CC(OC)=CC1)=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 |
