| SpectraBase Spectrum ID |
KAcMSbG2VJi |
| Name |
Pyrrolidinovalerophenone-M (di-HO-) isomer 1 MS2 |
| Comments |
F: ITMS + c ESI d w Full ms2 264.10 |
| Copyright |
Copyright © 2018-2025 Wiley-VCH GmbH. All Rights Reserved. |
| Formula |
C15H21NO3 |
| InChI |
InChI=1S/C15H21NO3/c1-11(17)9-14(16-7-2-3-8-16)15(19)12-5-4-6-13(18)10-12/h4-6,10-11,14,17-18H,2-3,7-9H2,1H3 |
| InChIKey |
KFIBRDQMYVHHOA-UHFFFAOYSA-N |
| Ion Polarity |
P |
| Ionization Type |
ESI |
| SMILES |
OC1=CC(C(C(CC(C)O)N2CCCC2)=O)=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 |
