| SpectraBase Spectrum ID |
857EAmlewla |
| Name |
4-EA-NBOMe-M (O-demethyl-carboxy-) MS2 |
| Comments |
T: ITMS + c ESI d w Full ms2 [email protected] [70.00-315.00] |
| Copyright |
Copyright © 2018-2025 Wiley-VCH GmbH. All Rights Reserved. |
| Formula |
C18H21NO3 |
| InChI |
InChI=1S/C18H21NO3/c1-13(19-12-16-4-2-3-5-17(16)20)10-14-6-8-15(9-7-14)11-18(21)22/h2-9,13,19-20H,10-12H2,1H3,(H,21,22) |
| InChIKey |
JMPHDXPTDHQLRE-UHFFFAOYSA-N |
| Ion Polarity |
P |
| Ionization Type |
ESI |
| SMILES |
OC(CC=1C=CC(CC(NCC2=CC=CC=C2O)C)=CC1)=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 |
