| SpectraBase Spectrum ID |
3tdsmnPAfPW |
| Name |
RCS-04-M (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 |
C21H23NO3 |
| InChI |
InChI=1S/C21H23NO3/c1-3-4-5-12-22-14-19(18-11-8-16(23)13-20(18)22)21(24)15-6-9-17(25-2)10-7-15/h6-11,13-14,23H,3-5,12H2,1-2H3 |
| InChIKey |
GCXOACPTGKLKKA-UHFFFAOYSA-N |
| Ion Polarity |
P |
| Ionization Type |
ESI |
| SMILES |
OC=1C=C2N(CCCCC)C=C(C2=CC1)C(C1=CC=C(C=C1)OC)=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 |
