| SpectraBase Compound ID | LJJ9FzVjtnM |
|---|---|
| InChI | InChI=1S/3C23H25Cl2N3O3/c24-17-4-3-5-18(21(17)25)28-13-11-27(12-14-28)10-1-2-15-31-19-8-6-16-7-9-20(29)26-22(16)23(19)30;24-18-4-3-5-20(23(18)25)28-11-9-27(10-12-28)8-1-2-13-31-16-14-19-17(21(29)15-16)6-7-22(30)26-19;24-17-4-3-5-19(23(17)25)28-11-9-27(10-12-28)8-1-2-13-31-21-15-18-16(14-20(21)29)6-7-22(30)26-18/h3-9,30H,1-2,10-15H2,(H,26,29);2*3-7,14-15,29H,1-2,8-13H2,(H,26,30) |
| InChIKey | AYKKGMOYTLBVCC-UHFFFAOYSA-N |
| Mol Weight | 462.38 g/mol |
| Molecular Formula | C23H25Cl2N3O3 |
| Exact Mass | 461.127297 g/mol |
Mass Spectrum (LC)
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| SpectraBase Spectrum ID | FRCmvSL702v |
|---|---|
| Name | Aripiprazole-M (dehydro-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 | C23H25Cl2N3O3 |
| 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 |