| SpectraBase Compound ID | GKkRFTPPKfn |
|---|---|
| InChI | InChI=1S/6C18H21ClN2O2/c1-20-9-2-10-21-15-11-13(19)5-3-12(15)4-6-14-16(22)7-8-17(23)18(14)21;1-20-9-2-10-21-15-7-8-17(22)18(23)14(15)6-4-12-3-5-13(19)11-16(12)21;1-20-7-2-8-21-16-9-13(19)5-3-12(16)4-6-15-17(21)10-14(22)11-18(15)23;1-20-9-2-10-21-15-11-14(19)7-5-12(15)3-4-13-6-8-16(22)18(23)17(13)21;1-20-7-2-8-21-15-10-14(19)6-5-12(15)3-4-13-9-17(22)18(23)11-16(13)21;1-20-7-2-8-21-16-10-14(19)6-5-12(16)3-4-13-9-15(22)11-17(23)18(13)21/h2*3,5,7-8,11,20,22-23H,2,4,6,9-10H2,1H3;3,5,9-11,20,22-23H,2,4,6-8H2,1H3;5-8,11,20,22-23H,2-4,9-10H2,1H3;2*5-6,9-11,20,22-23H,2-4,7-8H2,1H3 |
| InChIKey | MVWMOMFYNHRMAR-UHFFFAOYSA-N |
| Mol Weight | 332.83 g/mol |
| Molecular Formula | C18H21ClN2O2 |
| Exact Mass | 332.129156 g/mol |
Mass Spectrum (LC)
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| SpectraBase Spectrum ID | LC7pZAXHFRX |
|---|---|
| Name | Clomipramine-M (nor-di-HO-glucuronide) MS3_1 |
| Comments | F: ITMS + c ESI d w Full ms3 [email protected] [email protected] |
| Copyright | Copyright © 2018-2025 Wiley-VCH GmbH. All Rights Reserved. |
| Formula | C18H21ClN2O2 |
| 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 |