| SpectraBase Spectrum ID |
8Jz6nwpZEe |
| Name |
alpha-PVT-M (oxo-) MS2 |
| Comments |
T: ITMS + c ESI d w Full ms2 [email protected] [55.00-265.00] |
| Copyright |
Copyright © 2018-2025 Wiley-VCH GmbH. All Rights Reserved. |
| Formula |
C13H17NO2S |
| InChI |
InChI=1S/C13H17NO2S/c1-2-5-10(14-8-3-7-12(14)15)13(16)11-6-4-9-17-11/h4,6,9-10H,2-3,5,7-8H2,1H3 |
| InChIKey |
JVNLUDMLFPSACA-UHFFFAOYSA-N |
| Ion Polarity |
P |
| Ionization Type |
ESI |
| SMILES |
C(C(N1CCCC1=O)CCC)(=O)C1=CC=CS1 |
| 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 |
