| SpectraBase Spectrum ID |
7gAAnj1txB9 |
| Name |
N-Methyl-DOB-M (O-demethyl-HO-) MS2 |
| Comments |
T: ITMS + c ESI d w Full ms2 [email protected] [65.00-305.00] |
| Copyright |
Copyright © 2018-2025 Wiley-VCH GmbH. All Rights Reserved. |
| Formula |
C11H16BrNO3 |
| InChI |
InChI=1S/C11H16BrNO3/c1-6(13-2)4-7-5-8(16-3)9(12)11(15)10(7)14/h5-6,13-15H,4H2,1-3H3 |
| InChIKey |
IJQRQQKBNFLTJJ-UHFFFAOYSA-N |
| Ion Polarity |
P |
| Ionization Type |
ESI |
| SMILES |
OC=1C(CC(C)NC)=CC(=C(C1O)Br)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 |
ms2 |
| Technique |
ITMS |
