| SpectraBase Spectrum ID |
A9jxOqdmvg |
| Name |
4-EA-NBOMe-M (O-demethyl-carboxy-HO-) MS2 |
| Comments |
T: ITMS + c ESI d w Full ms2 [email protected] [75.00-330.00] |
| Copyright |
Copyright © 2018-2025 Wiley-VCH GmbH. All Rights Reserved. |
| Formula |
C18H21NO4 |
| InChI |
InChI=1S/C18H21NO4/c1-12(19-11-15-4-2-3-5-16(15)20)10-13-6-8-14(9-7-13)17(21)18(22)23/h2-9,12,17,19-21H,10-11H2,1H3,(H,22,23) |
| InChIKey |
BBIZNIQGLKFXOB-UHFFFAOYSA-N |
| Ion Polarity |
P |
| Ionization Type |
ESI |
| SMILES |
OC(C(C=1C=CC(=CC1)CC(NCC1=CC=CC=C1O)C)O)=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 |
