| SpectraBase Spectrum ID |
4yqPeblboqA |
| Name |
3,4-DMA-NBOMe-M (O,O-bis-demethyl-glucuronide) isomer 2 MS3_1 |
| Comments |
T: ITMS + c ESI d w Full ms3 [email protected] [email protected] [65.00-300.00] |
| Copyright |
Copyright © 2018-2025 Wiley-VCH GmbH. All Rights Reserved. |
| Formula |
C17H22NO3 |
| InChI |
InChI=1S/C17H21NO3/c1-12(9-13-7-8-15(19)16(20)10-13)18-11-14-5-3-4-6-17(14)21-2/h3-8,10,12,18-20H,9,11H2,1-2H3/p+1 |
| InChIKey |
WSHFGUWTHCUPBP-UHFFFAOYSA-O |
| Ion Polarity |
P |
| Ionization Type |
ESI |
| SMILES |
OC1=C(C=CC(CC([NH2+]CC=2C(=CC=CC2)OC)C)=C1)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 |
ms3 |
| Technique |
ITMS |
