| SpectraBase Spectrum ID |
4PD3JRBJNFs |
| Name |
4-MMA-NBOMe-M (N,O-bis-demethyl-carboxy-) MS2 |
| Comments |
T: ITMS + c ESI d w Full ms2 [email protected] [65.00-300.00] |
| Copyright |
Copyright © 2018-2025 Wiley-VCH GmbH. All Rights Reserved. |
| Formula |
C17H19NO3 |
| InChI |
InChI=1S/C17H19NO3/c1-12(18-11-15-4-2-3-5-16(15)19)10-13-6-8-14(9-7-13)17(20)21/h2-9,12,18-19H,10-11H2,1H3,(H,20,21) |
| InChIKey |
UEAHVDOILIGEAF-UHFFFAOYSA-N |
| Ion Polarity |
P |
| Ionization Type |
ESI |
| SMILES |
OC(C=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 |
