| SpectraBase Spectrum ID |
9U5Rl6JpCa |
| Name |
U-47700-M (N,N,N-tris-demethyl-) MS2 |
| Comments |
F: ITMS + c ESI d w Full ms2 287.10 |
| Copyright |
Copyright © 2018-2025 Wiley-VCH GmbH. All Rights Reserved. |
| Formula |
C13H16Cl2N2O |
| InChI |
InChI=1S/C13H16Cl2N2O/c14-9-6-5-8(7-10(9)15)13(18)17-12-4-2-1-3-11(12)16/h5-7,11-12H,1-4,16H2,(H,17,18) |
| InChIKey |
PSVHZOSPCCQDHN-UHFFFAOYSA-N |
| Ion Polarity |
P |
| Ionization Type |
ESI |
| SMILES |
N(C(C=1C=CC(=C(C1)Cl)Cl)=O)C1CCCCC1N |
| 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 |
