| SpectraBase Spectrum ID |
5emnOtoNV2 |
| Name |
Bunitrolol-M/artifact (HO-aryl) MS3 |
| Comments |
T: ITMS + c ESI d w Full ms3 [email protected]@cid40.00 |
| Copyright |
Copyright © 2018-2025 Wiley-VCH GmbH. All Rights Reserved. |
| InChI |
InChI=1S/C10H12N2O3/c11-4-7-3-8(13)1-2-10(7)15-6-9(14)5-12/h1-3,9,13-14H,5-6,12H2/p+1 |
| InChIKey |
CMRDGNAFOBUMSU-UHFFFAOYSA-O |
| Ion Polarity |
P |
| Ionization Type |
ESI |
| SMILES |
[NH3+]CC(COC1=C(C=C(C=C1)O)C#N)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 |
