| SpectraBase Spectrum ID |
6fe3YMs3FY |
| Name |
RCS-04-M (O-demethyl-HO-indole-HO-ring-glucuronide) MS3_1 |
| Comments |
T: ITMS + c ESI d w Full ms3 [email protected] [email protected] |
| Copyright |
Copyright © 2018-2025 Wiley-VCH GmbH. All Rights Reserved. |
| Formula |
C20H21NO4 |
| InChI |
InChI=1S/C20H21NO4/c1-2-3-4-9-21-12-16(15-7-6-14(22)11-17(15)21)20(25)13-5-8-18(23)19(24)10-13/h5-8,10-12,22-24H,2-4,9H2,1H3 |
| InChIKey |
RCZHTJAOZSIEAP-UHFFFAOYSA-N |
| Ion Polarity |
P |
| Ionization Type |
ESI |
| SMILES |
OC=1C=C2C(C(C(C3=CC(=C(C=C3)O)O)=O)=CN2CCCCC)=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: Metabolite |
| Source of Spectrum |
Maurer/Wissenbach/Weber, Saarland University |
| Spectrum Type |
ms3 |
| Technique |
ITMS |
