| SpectraBase Spectrum ID |
E8q7JniE1iM |
| Name |
Umeclidinium bromide metabolite MS2 |
| Comments |
F: ITMS + c ESI d w Full ms2 338.30 |
| Copyright |
Copyright © 2018-2025 Wiley-VCH GmbH. All Rights Reserved. |
| Formula |
C22H28NO2 |
| InChI |
InChI=1S/C22H28NO2/c24-18-17-23-14-11-21(12-15-23,13-16-23)22(25,19-7-3-1-4-8-19)20-9-5-2-6-10-20/h1-10,24-25H,11-18H2/q+1 |
| InChIKey |
PSBRYSHOOSHIOJ-UHFFFAOYSA-N |
| Ion Polarity |
P |
| Ionization Type |
ESI |
| SMILES |
OC(C12CC[N+](CCO)(CC2)CC1)(C1=CC=CC=C1)C=1C=CC=CC1 |
| 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 |
ms2 |
| Technique |
ITMS |
