| SpectraBase Spectrum ID |
6can0QpYQtg |
| Name |
Pyrrolidinovalerophenone-M (HO-ring) MS2 |
| Comments |
T: ITMS + c ESI d w Full ms2 [email protected] [55.00-260.00] |
| Copyright |
Copyright © 2018-2025 Wiley-VCH GmbH. All Rights Reserved. |
| Formula |
C15H21NO2 |
| InChI |
InChI=1S/C15H21NO2/c1-2-7-13(16-11-6-10-14(16)17)15(18)12-8-4-3-5-9-12/h3-5,8-9,13-14,17H,2,6-7,10-11H2,1H3 |
| InChIKey |
ANWAGMVYYFXSOT-UHFFFAOYSA-N |
| Ion Polarity |
P |
| Ionization Type |
ESI |
| SMILES |
OC1N(C(C(C2=CC=CC=C2)=O)CCC)CCC1 |
| 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 |
