| SpectraBase Compound ID | C7mPPPZgvoK |
|---|---|
| InChI | InChI=1S/6C19H23ClN2O2/c1-21(2)10-3-11-22-16-12-14(20)6-4-13(16)5-7-15-17(23)8-9-18(24)19(15)22;1-21(2)10-3-11-22-16-8-9-18(23)19(24)15(16)7-5-13-4-6-14(20)12-17(13)22;1-21(2)8-3-9-22-17-10-14(20)6-4-13(17)5-7-16-18(22)11-15(23)12-19(16)24;1-21(2)10-3-11-22-16-12-15(20)8-6-13(16)4-5-14-7-9-17(23)19(24)18(14)22;1-21(2)8-3-9-22-16-11-15(20)7-6-13(16)4-5-14-10-18(23)19(24)12-17(14)22;1-21(2)8-3-9-22-17-11-15(20)7-6-13(17)4-5-14-10-16(23)12-18(24)19(14)22/h2*4,6,8-9,12,23-24H,3,5,7,10-11H2,1-2H3;4,6,10-12,23-24H,3,5,7-9H2,1-2H3;6-9,12,23-24H,3-5,10-11H2,1-2H3;2*6-7,10-12,23-24H,3-5,8-9H2,1-2H3 |
| InChIKey | YYBBOTONFWZOEW-UHFFFAOYSA-N |
| Mol Weight | 346.86 g/mol |
| Molecular Formula | C19H23ClN2O2 |
| Exact Mass | 346.144806 g/mol |
Mass Spectrum (LC)
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| SpectraBase Spectrum ID | GK9hGUscfca |
|---|---|
| Name | Clomipramine-M (di-HO-glucuronide) isomer 1 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 | C19H23ClN2O2 |
| 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 |