| SpectraBase Spectrum ID |
CrtUIxQ6iNC |
| Name |
4-EA-NBOMe-M (O-demethyl-oxo-) MS2 |
| Comments |
T: ITMS + c ESI d w Full ms2 [email protected] [65.00-295.00] |
| Copyright |
Copyright © 2018-2025 Wiley-VCH GmbH. All Rights Reserved. |
| Formula |
C18H21NO2 |
| InChI |
InChI=1S/C18H21NO2/c1-14(19-13-17-4-2-3-5-18(17)21)12-16-8-6-15(7-9-16)10-11-20/h2-9,11,14,19,21H,10,12-13H2,1H3 |
| InChIKey |
DOFWESRSIAGMQB-UHFFFAOYSA-N |
| Ion Polarity |
P |
| Ionization Type |
ESI |
| SMILES |
N(C(CC=1C=CC(=CC1)CC=O)C)CC1=CC=CC=C1O |
| 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 |
