| SpectraBase Spectrum ID |
3kjr1Fa4koJ |
| Name |
PPP-M (oxo-) MS2 |
| Comments |
F: ITMS + c ESI d w Full ms2 218.10 |
| Copyright |
Copyright © 2018-2025 Wiley-VCH GmbH. All Rights Reserved. |
| Formula |
C13H15NO2 |
| InChI |
InChI=1S/C13H15NO2/c1-10(14-9-5-8-12(14)15)13(16)11-6-3-2-4-7-11/h2-4,6-7,10H,5,8-9H2,1H3 |
| InChIKey |
LZFDBIIMVDBINR-UHFFFAOYSA-N |
| Ion Polarity |
P |
| Ionization Type |
ESI |
| SMILES |
C1=C(C=CC=C1)C(C(C)N1C(CCC1)=O)=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 |
