| SpectraBase Spectrum ID |
19N2MniCSEa |
| Name |
Diltiazem-M (deacetyl-) MS3_1 |
| Comments |
T: ITMS + c ESI d w Full ms3 [email protected] [email protected] [75.00-340.00] |
| Copyright |
Copyright © 2018-2025 Wiley-VCH GmbH. All Rights Reserved. |
| InChI |
InChI=1S/C18H18NO3S/c1-3-19-14-6-4-5-7-15(14)23-17(16(20)18(19)21)12-8-10-13(22-2)11-9-12/h4-11,16-17,20H,1,3H2,2H3/q+1 |
| InChIKey |
DSRAETOKQAXLOW-UHFFFAOYSA-N |
| Ion Polarity |
P |
| Ionization Type |
ESI |
| SMILES |
OC1C(N(C[CH2+])C2=C(C=CC=C2)SC1C=1C=CC(=CC1)OC)=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 |
ms3 |
| Technique |
ITMS |
