| SpectraBase Spectrum ID |
5yZA6bou10C |
| Name |
Penbutolol MS3_2 |
| Comments |
F: ITMS + c ESI d w Full ms3 [email protected] [email protected] |
| Copyright |
Copyright © 2018-2025 Wiley-VCH GmbH. All Rights Reserved. |
| InChI |
InChI=1S/C14H17O/c1-2-11-15-14-10-6-5-9-13(14)12-7-3-4-8-12/h2,5-6,9-12H,1,3-4,7-8H2/q+1/b11-2+ |
| InChIKey |
AMYLXWGMVQOILN-BIIKFXOESA-N |
| Ion Polarity |
P |
| Ionization Type |
ESI |
| SMILES |
C1(O\C=C\[CH2+])=CC=CC=C1C1CCCC1 |
| 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: Parent |
| Source of Spectrum |
Maurer/Wissenbach/Weber, Saarland University |
| Spectrum Type |
ms3 |
| Technique |
ITMS |
