| SpectraBase Spectrum ID |
8z9JAOeXAfB |
| Name |
Diltiazem-M (deacetyl-O-demethyl-) MS3_1 |
| Comments |
T: ITMS + c ESI d w Full ms3 [email protected] [email protected] [70.00-325.00] |
| Copyright |
Copyright © 2018-2025 Wiley-VCH GmbH. All Rights Reserved. |
| InChI |
InChI=1S/C17H15NO3S/c1-2-18-13-5-3-4-6-14(13)22-16(15(20)17(18)21)11-7-9-12(19)10-8-11/h3-10,15-16,20H,1-2H2/p+1 |
| InChIKey |
UVOJHXGDBKKUQF-UHFFFAOYSA-O |
| Ion Polarity |
P |
| Ionization Type |
ESI |
| SMILES |
OC1C(C=2C=CC(=CC2)O)SC2=C(N(C1=O)C[CH2+])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 |
ms3 |
| Technique |
ITMS |
