| SpectraBase Spectrum ID |
7pH2ttwqcy |
| Name |
DOM-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 |
C11H17NO2 |
| InChI |
InChI=1S/C11H17NO2/c1-7-4-10(13)9(5-8(2)12)6-11(7)14-3/h4,6,8,13H,5,12H2,1-3H3 |
| InChIKey |
NIRJHEFWNFTPAN-UHFFFAOYSA-N |
| Ion Polarity |
P |
| Ionization Type |
ESI |
| SMILES |
OC1=C(CC(N)C)C=C(C(=C1)C)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 |
