| SpectraBase Spectrum ID |
66RBeriYwGH |
| Name |
RCS-04-M (O-demethyl-HO-indole-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 |
C20H21NO3 |
| InChI |
InChI=1S/C20H21NO3/c1-2-3-4-11-21-13-18(17-10-9-16(23)12-19(17)21)20(24)14-5-7-15(22)8-6-14/h5-10,12-13,22-23H,2-4,11H2,1H3 |
| InChIKey |
OKGVGJZLBFGJAP-UHFFFAOYSA-N |
| Ion Polarity |
P |
| Ionization Type |
ESI |
| SMILES |
OC=1C=C2C(C(C(C3=CC=C(C=C3)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 |
