| SpectraBase Spectrum ID |
ICZKZdyY9RV |
| Name |
Diltiazem-M (O-demethyl-N-demethyl-) MS3_1 |
| Comments |
T: ITMS + c ESI d w Full ms3 [email protected] [email protected] [80.00-370.00] |
| Copyright |
Copyright © 2018-2025 Wiley-VCH GmbH. All Rights Reserved. |
| InChI |
InChI=1S/C19H17NO4S/c1-3-20-15-6-4-5-7-16(15)25-18(13-8-10-14(22)11-9-13)17(19(20)23)24-12(2)21/h4-11,17-18H,1,3H2,2H3/p+1 |
| InChIKey |
CURJGUHBXJRDKE-UHFFFAOYSA-O |
| Ion Polarity |
P |
| Ionization Type |
ESI |
| SMILES |
OC=1C=CC(C2C(C(N(C[CH2+])C3=C(C=CC=C3)S2)=O)OC(C)=O)=CC1 |
| 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 |
