| SpectraBase Spectrum ID |
9UyOgLVsbQ |
| Name |
MDPPP-M (demethylenyl-) MS2 |
| Comments |
F: ITMS + c ESI d w Full ms2 236.10 |
| Copyright |
Copyright © 2018-2025 Wiley-VCH GmbH. All Rights Reserved. |
| Formula |
C13H17NO3 |
| InChI |
InChI=1S/C13H17NO3/c1-9(14-7-2-3-8-14)12(16)10-5-4-6-11(15)13(10)17/h4-6,9,15,17H,2-3,7-8H2,1H3 |
| InChIKey |
JEJGNGDHTVAJMN-UHFFFAOYSA-N |
| Ion Polarity |
P |
| Ionization Type |
ESI |
| SMILES |
OC1=CC=CC(=C1O)C(C(N1CCCC1)C)=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 |
