| SpectraBase Compound ID | DJSrMlarYM5 |
|---|---|
| InChI | InChI=1S/C14H18Cl2N2O2/c1-18(13-5-3-9(19)7-12(13)17)14(20)8-2-4-10(15)11(16)6-8/h2,4,6,9,12-13,19H,3,5,7,17H2,1H3/p+1 |
| InChIKey | TWGKHZMCDJIOPB-UHFFFAOYSA-O |
| Mol Weight | 318.22 g/mol |
| Molecular Formula | C14H19Cl2N2O2 |
| Exact Mass | 317.082358 g/mol |
Mass Spectrum (LC)
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| SpectraBase Spectrum ID | AKLUKnA0qe |
|---|---|
| Name | U-47700-M (N,N-bis-demethyl-HO-glucuronide) MS3_1 |
| Comments | F: ITMS + c ESI d w Full ms3 [email protected] [email protected] [75.00-330.00] |
| Copyright | Copyright © 2018-2025 Wiley-VCH GmbH. All Rights Reserved. |
| Formula | C14H19Cl2N2O2 |
| 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 |