| SpectraBase Spectrum ID |
CdFXwGvIBM2 |
| Name |
4-EA-NBOMe-M (carboxy-oxo-) MS3_1 |
| Comments |
T: ITMS + c ESI d w Full ms3 [email protected] [email protected] [65.00-295.00] |
| Copyright |
Copyright © 2018-2025 Wiley-VCH GmbH. All Rights Reserved. |
| Formula |
C18H22NO2 |
| InChI |
InChI=1S/C18H21NO2/c1-14(11-15-7-9-16(13-20)10-8-15)19-12-17-5-3-4-6-18(17)21-2/h3-10,13-14,19H,11-12H2,1-2H3/p+1 |
| InChIKey |
FWFNJHMQACANKN-UHFFFAOYSA-O |
| Ion Polarity |
P |
| Ionization Type |
ESI |
| SMILES |
[NH2+](C(CC=1C=CC(=CC1)C=O)C)CC=1C(=CC=CC1)OC |
| 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 |
