| SpectraBase Spectrum ID |
5RNsgB09L17 |
| Name |
Penbutolol-M (HO-) isomer 1 MS2 |
| Comments |
F: ITMS + c ESI d w Full ms2 308.10 |
| Copyright |
Copyright © 2018-2025 Wiley-VCH GmbH. All Rights Reserved. |
| Formula |
C18H29NO3 |
| InChI |
InChI=1S/C18H29NO3/c1-18(2,3)19-11-13(20)12-22-17-10-5-4-7-15(17)14-8-6-9-16(14)21/h4-5,7,10,13-14,16,19-21H,6,8-9,11-12H2,1-3H3 |
| InChIKey |
WDQQLZGRHKONTO-UHFFFAOYSA-N |
| Ion Polarity |
P |
| Ionization Type |
ESI |
| SMILES |
N(CC(COC=1C(C2C(CCC2)O)=CC=CC1)O)C(C)(C)C |
| 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 |
