| SpectraBase Spectrum ID |
8V2aA4jgNk |
| Name |
Penbutolol-M (HO-) isomer 3 MS3_1 |
| Comments |
T: ITMS + c ESI d w Full ms3 [email protected] [email protected] [55.00-265.00] |
| Copyright |
Copyright © 2018-2025 Wiley-VCH GmbH. All Rights Reserved. |
| InChI |
InChI=1S/C14H21NO3/c15-8-12(17)9-18-14-6-5-11(16)7-13(14)10-3-1-2-4-10/h5-7,10,12,16-17H,1-4,8-9,15H2/p+1 |
| InChIKey |
AMQRVXVMAAJRJK-UHFFFAOYSA-O |
| Ion Polarity |
P |
| Ionization Type |
ESI |
| SMILES |
[NH3+]CC(COC1=CC=C(C=C1C1CCCC1)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 |
