| SpectraBase Spectrum ID |
DRmUDgNRSJJ |
| Name |
Mescaline-M (O-demethyl-N-acetyl) isomer 1 MS2 |
| Comments |
F: ITMS + c ESI d w Full ms2 240.10 |
| Copyright |
Copyright © 2018-2025 Wiley-VCH GmbH. All Rights Reserved. |
| Formula |
C12H17NO4 |
| InChI |
InChI=1S/C12H17NO4/c1-8(14)13-5-4-9-6-10(15)12(17-3)11(7-9)16-2/h6-7,15H,4-5H2,1-3H3,(H,13,14) |
| InChIKey |
ZNFGGXOHSVDBJW-UHFFFAOYSA-N |
| Ion Polarity |
P |
| Ionization Type |
ESI |
| SMILES |
N(C(C)=O)CCC1=CC(=C(C(=C1)OC)OC)O |
| 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 |
