| SpectraBase Compound ID | Dlkpi8dhRu8 |
|---|---|
| InChI | InChI=1S/6C13H17ClN2O4/c14-10-3-1-9(2-4-10)13(19)15-5-6-16-7-12(18)20-8-11(16)17;14-10-3-1-9(2-4-10)13(19)15-5-6-16-11(17)7-20-8-12(16)18;14-10-3-1-9(2-4-10)13(19)15-5-6-16-7-11(17)20-12(18)8-16;14-11-3-1-10(2-4-11)12(17)15-5-6-16-7-8-20-9-13(16,18)19;14-11-3-1-10(2-4-11)12(17)15-5-6-16-7-8-20-13(18,19)9-16;14-10-3-1-9(2-4-10)11(17)15-5-6-16-7-8-20-13(19)12(16)18/h3*1-4,11-12,17-18H,5-8H2,(H,15,19);2*1-4,18-19H,5-9H2,(H,15,17);1-4,12-13,18-19H,5-8H2,(H,15,17) |
| InChIKey | RCWMWTRZSIQDSB-UHFFFAOYSA-N |
| Mol Weight | 300.74 g/mol |
| Molecular Formula | C13H17ClN2O4 |
| Exact Mass | 300.087685 g/mol |
Mass Spectrum (LC)
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| SpectraBase Spectrum ID | CU5MNy8mYyp |
|---|---|
| Name | Moclobemide-M (di-HO-ring) MS2 |
| Comments | F: ITMS + c ESI d w Full ms2 301.10 |
| Copyright | Copyright © 2018-2025 Wiley-VCH GmbH. All Rights Reserved. |
| Formula | C13H17ClN2O4 |
| 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 |