| SpectraBase Compound ID | 2dhVnFieCSF |
|---|---|
| InChI | InChI=1S/4C22H24ClN5O3/c23-14-2-5-19-18(12-14)25-22(31)28(19)15-6-10-26(11-7-15)8-1-9-27-20-13-16(29)3-4-17(20)24-21(27)30;23-14-2-4-20-17(12-14)25-22(31)28(20)15-6-10-26(11-7-15)8-1-9-27-19-5-3-16(29)13-18(19)24-21(27)30;23-14-5-6-17-16(13-14)24-22(31)28(17)15-7-11-26(12-8-15)9-2-10-27-18-3-1-4-19(29)20(18)25-21(27)30;23-14-5-6-18-17(13-14)25-22(31)28(18)15-7-11-26(12-8-15)9-2-10-27-20-16(24-21(27)30)3-1-4-19(20)29/h2*2-5,12-13,15,29H,1,6-11H2,(H,24,30)(H,25,31);1,3-6,13,15,29H,2,7-12H2,(H,24,31)(H,25,30);1,3-6,13,15,29H,2,7-12H2,(H,24,30)(H,25,31) |
| InChIKey | SBCWCDAOYCQHRR-UHFFFAOYSA-N |
| Mol Weight | 441.92 g/mol |
| Molecular Formula | C22H24ClN5O3 |
| Exact Mass | 441.156767 g/mol |
Mass Spectrum (LC)
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| SpectraBase Spectrum ID | 4pNmKjlDRO6 |
|---|---|
| Name | Domperidone-M (HO-aryl) MS2 |
| Comments | F: ITMS + c ESI d w Full ms2 442.10 |
| Copyright | Copyright © 2018-2025 Wiley-VCH GmbH. All Rights Reserved. |
| Formula | C22H24ClN5O3 |
| 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 | ms2 |
| Technique | ITMS |