| SpectraBase Spectrum ID |
2VDyLWxaigx |
| Name |
4-EA-NBOMe-M (carboxy-HO-) MS2 |
| Comments |
T: ITMS + c ESI d w Full ms2 [email protected] [80.00-345.00] |
| Copyright |
Copyright © 2018-2025 Wiley-VCH GmbH. All Rights Reserved. |
| Formula |
C19H23NO4 |
| InChI |
InChI=1S/C19H23NO4/c1-13(20-12-16-5-3-4-6-17(16)24-2)11-14-7-9-15(10-8-14)18(21)19(22)23/h3-10,13,18,20-21H,11-12H2,1-2H3,(H,22,23) |
| InChIKey |
VYNAJXISVISZAE-UHFFFAOYSA-N |
| Ion Polarity |
P |
| Ionization Type |
ESI |
| SMILES |
OC(C(C=1C=CC(=CC1)CC(NCC=1C(=CC=CC1)OC)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 |
