| SpectraBase Spectrum ID |
9f1QXEyCnI |
| Name |
25C-NBOMe-M (O-demethyl-) isomer 3 MS2 |
| Comments |
F: ITMS + c ESI d w Full ms2 322.30 |
| Copyright |
Copyright © 2018-2025 Wiley-VCH GmbH. All Rights Reserved. |
| Formula |
C17H20ClNO3 |
| InChI |
InChI=1S/C17H20ClNO3/c1-21-16-10-14(18)17(22-2)9-12(16)7-8-19-11-13-5-3-4-6-15(13)20/h3-6,9-10,19-20H,7-8,11H2,1-2H3 |
| InChIKey |
VHWXICYYQMMZCW-UHFFFAOYSA-N |
| Ion Polarity |
P |
| Ionization Type |
ESI |
| SMILES |
N(CCC=1C=C(C(=CC1OC)Cl)OC)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 |
