| SpectraBase Compound ID | CVTJAF9PgyS |
|---|---|
| InChI | InChI=1S/4C20H19NO5S/c1-4-21-16-11-14(23)7-10-17(16)27-19(18(20(21)24)26-12(2)22)13-5-8-15(25-3)9-6-13;1-4-21-16-10-7-14(23)11-17(16)27-19(18(20(21)24)26-12(2)22)13-5-8-15(25-3)9-6-13;1-4-21-15-6-5-7-16(23)19(15)27-18(17(20(21)24)26-12(2)22)13-8-10-14(25-3)11-9-13;1-4-21-17-15(23)6-5-7-16(17)27-19(18(20(21)24)26-12(2)22)13-8-10-14(25-3)11-9-13/h2*5-11,18-19H,1,4H2,2-3H3;5-11,17-18H,1,4H2,2-3H3;5-11,18-19H,1,4H2,2-3H3/p+4 |
| InChIKey | IERZLCWRIAOEDZ-UHFFFAOYSA-R |
| Mol Weight | 386.44 g/mol |
| Molecular Formula | C20H20NO5S |
| Exact Mass | 386.106219 g/mol |
Mass Spectrum (LC)
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| SpectraBase Spectrum ID | KWY1ld3CT3Y |
|---|---|
| Name | Diltiazem-M (HO-ring) MS3_1 |
| Comments | F: ITMS + c ESI d w Full ms3 [email protected] [email protected] [95.00-400.00] |
| Copyright | Copyright © 2018-2025 Wiley-VCH GmbH. All Rights Reserved. |
| Ion Polarity | P |
| Ionization Type | ESI |
| 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 |