| SpectraBase Spectrum ID |
7WPsnHD6Q4I |
| Name |
alpha-PVT MS3_1 |
| Comments |
F: ITMS + c ESI d w Full ms3 [email protected] [email protected] [50.00-180.00] |
| Copyright |
Copyright © 2018-2025 Wiley-VCH GmbH. All Rights Reserved. |
| Formula |
C9H11OS |
| InChI |
InChI=1S/C9H11OS/c1-2-3-5-8(10)9-6-4-7-11-9/h4-7H,2-3H2,1H3/q+1 |
| InChIKey |
KLFZHNDKWKWCNC-UHFFFAOYSA-N |
| Ion Polarity |
P |
| Ionization Type |
ESI |
| SMILES |
C([CH+]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: Parent |
| Source of Spectrum |
Maurer/Wissenbach/Weber, Saarland University |
| Spectrum Type |
ms3 |
| Technique |
ITMS |
