| SpectraBase Spectrum ID |
7pqdeqP5Vo |
| Name |
Embutramide-M (O-demethyl-) MS2 |
| Comments |
F: ITMS + c ESI d w Full ms2 280.10 |
| Copyright |
Copyright © 2018-2025 Wiley-VCH GmbH. All Rights Reserved. |
| Formula |
C16H25NO3 |
| InChI |
InChI=1S/C16H25NO3/c1-3-16(4-2,12-17-15(20)9-6-10-18)13-7-5-8-14(19)11-13/h5,7-8,11,18-19H,3-4,6,9-10,12H2,1-2H3,(H,17,20) |
| InChIKey |
TVGZBYSUMDVWMA-UHFFFAOYSA-N |
| Ion Polarity |
P |
| Ionization Type |
ESI |
| SMILES |
OC1=CC=CC(C(CNC(CCCO)=O)(CC)CC)=C1 |
| 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 |
