| SpectraBase Spectrum ID |
INHV5O6WTEr |
| Name |
DOI-M (O-demethyl-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 |
C10H14INO2 |
| InChI |
InChI=1S/C10H14INO2/c1-6(12)3-7-4-10(14-2)8(11)5-9(7)13/h4-6,13H,3,12H2,1-2H3 |
| InChIKey |
DOSVQBUJJWERKN-UHFFFAOYSA-N |
| Ion Polarity |
P |
| Ionization Type |
ESI |
| SMILES |
OC=1C(CC(C)N)=CC(=C(C1)I)OC |
| 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 |
