| SpectraBase Spectrum ID |
3TMi8vcKglb |
| Name |
Carvedilol-M (N-oxide-glucuronide) 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. |
| Formula |
C24H27N2O5 |
| InChI |
InChI=1S/C24H26N2O5/c1-29-21-10-4-5-11-22(21)30-14-13-25-15-17(27)16-31-23-12-6-9-20-24(23)18-7-2-3-8-19(18)26(20)28/h2-12,17,25,27-28H,13-16H2,1H3/p+1 |
| InChIKey |
DLANTXZCOAQINL-UHFFFAOYSA-O |
| Ion Polarity |
P |
| Ionization Type |
ESI |
| SMILES |
[NH+]1(C2=C(C(OCC(CNCCOC=3C=CC=CC3OC)O)=CC=C2)C2=CC=CC=C12)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 |
