| SpectraBase Spectrum ID |
ES2nKaRnE6H |
| Name |
Aripiprazole-M (dehydro-) MS2 |
| Comments |
F: ITMS + c ESI d w Full ms2 446.10 |
| Copyright |
Copyright © 2018-2025 Wiley-VCH GmbH. All Rights Reserved. |
| Formula |
C23H25Cl2N3O2 |
| InChI |
InChI=1S/C23H25Cl2N3O2/c24-19-4-3-5-21(23(19)25)28-13-11-27(12-14-28)10-1-2-15-30-18-8-6-17-7-9-22(29)26-20(17)16-18/h3-9,16H,1-2,10-15H2,(H,26,29) |
| InChIKey |
CDONPRYEWWPREK-UHFFFAOYSA-N |
| Ion Polarity |
P |
| Ionization Type |
ESI |
| SMILES |
N1C2=CC(=CC=C2C=CC1=O)OCCCCN1CCN(C=2C=CC=C(Cl)C2Cl)CC1 |
| 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 |
