| SpectraBase Spectrum ID |
4u6qsP8Oicu |
| Name |
Amlopidine-M (dehydro-deamino-deethyl-glucuronide) MS3_1 |
| Comments |
F: ITMS + c ESI d w Full ms3 [email protected] [email protected] [85.00-360.00] |
| Copyright |
Copyright © 2018-2025 Wiley-VCH GmbH. All Rights Reserved. |
| Formula |
C18H18ClNO5 |
| InChI |
InChI=1S/C18H18ClNO5/c1-4-25-18(23)16-13(9-21)20-10(2)14(17(22)24-3)15(16)11-7-5-6-8-12(11)19/h5-8,21H,4,9H2,1-3H3 |
| InChIKey |
NOAITXCJUZWNGE-UHFFFAOYSA-N |
| Ion Polarity |
P |
| Ionization Type |
ESI |
| SMILES |
OCC1=C(C(=C(C(=N1)C)C(=O)OC)C1=C(Cl)C=CC=C1)C(=O)OCC |
| 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 |
