| SpectraBase Spectrum ID |
2SIV0b2ew3C |
| Name |
4-EA-NBOMe-M (O-demethyl-oxo-) MS3_1 |
| Comments |
T: ITMS + c ESI d w Full ms3 [email protected] [email protected] [50.00-190.00] |
| Copyright |
Copyright © 2018-2025 Wiley-VCH GmbH. All Rights Reserved. |
| Formula |
C11H16NO |
| InChI |
InChI=1S/C11H15NO/c1-9(12)8-11-4-2-10(3-5-11)6-7-13/h2-5,7,9H,6,8,12H2,1H3/p+1 |
| InChIKey |
YZUNNECRFOWVHO-UHFFFAOYSA-O |
| Ion Polarity |
P |
| Ionization Type |
ESI |
| SMILES |
[NH3+]C(CC=1C=CC(=CC1)CC=O)C |
| 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 |
