| SpectraBase Spectrum ID |
5XHnQJYRzE8 |
| Name |
Celiprolol-M (HO-) 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/C16H22N2O4/c1-5-18(6-2)16(21)17-13-7-8-15(22-10-11(3)19)14(9-13)12(4)20/h7-9,11,19H,3,5-6,10H2,1-2,4H3/p+1 |
| InChIKey |
VDIMZDAWDKLXPQ-UHFFFAOYSA-O |
| Ion Polarity |
P |
| Ionization Type |
ESI |
| SMILES |
N(C1=CC=C(OCC([CH2+])O)C(=C1)C(C)=O)C(N(CC)CC)=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 |
