| SpectraBase Spectrum ID |
7AM7SPklrE |
| Name |
U-47700-M (N,N,N-tris-demethyl-) MS3_1 |
| Comments |
F: ITMS + c ESI d w Full ms3 [email protected] [email protected] [50.00-205.00] |
| Copyright |
Copyright © 2018-2025 Wiley-VCH GmbH. All Rights Reserved. |
| Formula |
C7H6Cl2NO |
| InChI |
InChI=1S/C7H5Cl2NO/c8-5-2-1-4(7(10)11)3-6(5)9/h1-3H,(H2,10,11)/p+1 |
| InChIKey |
XURBWYCGQQXTHJ-UHFFFAOYSA-O |
| Ion Polarity |
P |
| Ionization Type |
ESI |
| SMILES |
[NH3+]C(C=1C=CC(=C(C1)Cl)Cl)=O |
| 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 |
