| SpectraBase Spectrum ID |
KhjlbeYDQ2A |
| Name |
Acebutolol-M (N-dealkyl-) MS3_1 |
| 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/C15H17NO3/c1-4-6-15(18)16-12-7-8-14(19-9-5-2)13(10-12)11(3)17/h5,7-10H,2,4,6H2,1,3H3/p+1/b9-5+ |
| InChIKey |
RNEASAYYRBQYLT-WEVVVXLNSA-O |
| Ion Polarity |
P |
| Ionization Type |
ESI |
| SMILES |
N(C=1C=CC(O\C=C\[CH2+])=C(C(C)=O)C1)C(=O)CCC |
| 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 |
