| SpectraBase Spectrum ID |
BFbmjMWmKyt |
| Name |
Embutramide-M (O-demethyl-) MS3_1 |
| Comments |
T: ITMS + c ESI d w Full ms3 [email protected] [email protected] [50.00-205.00] |
| Copyright |
Copyright © 2018-2025 Wiley-VCH GmbH. All Rights Reserved. |
| InChI |
InChI=1S/C12H19NO/c1-3-12(4-2,9-13)10-6-5-7-11(14)8-10/h5-8,14H,3-4,9,13H2,1-2H3/p+1 |
| InChIKey |
XBIQFOVHGYIXFE-UHFFFAOYSA-O |
| Ion Polarity |
P |
| Ionization Type |
ESI |
| SMILES |
[NH3+]CC(C1=CC(=CC=C1)O)(CC)CC |
| 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 |
