| SpectraBase Spectrum ID |
4Llu8mec6kA |
| Name |
Atenolol-M (carboxylic acid) MS3_1 |
| Comments |
T: ITMS + c ESI d w Full ms3 [email protected] [email protected] [50.00-240.00] |
| Copyright |
Copyright © 2018-2025 Wiley-VCH GmbH. All Rights Reserved. |
| InChI |
InChI=1S/C11H15NO4/c12-6-9(13)7-16-10-3-1-8(2-4-10)5-11(14)15/h1-4,9,13H,5-7,12H2,(H,14,15)/p+1 |
| InChIKey |
AFDWJLSGYKXCCF-UHFFFAOYSA-O |
| Ion Polarity |
P |
| Ionization Type |
ESI |
| SMILES |
[NH3+]CC(COC1=CC=C(C=C1)CC(O)=O)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 |
