| SpectraBase Spectrum ID |
GO654UxKQC6 |
| Name |
Pentedrone MS3_1 |
| Comments |
F: ITMS + c ESI d w Full ms3 [email protected] [email protected] [50.00-175.00] |
| Copyright |
Copyright © 2018-2025 Wiley-VCH GmbH. All Rights Reserved. |
| Formula |
C11H13O |
| InChI |
InChI=1S/C11H13O/c1-2-3-9-11(12)10-7-5-4-6-8-10/h3-8H,2,9H2,1H3/q+1 |
| InChIKey |
AZJOYOCAVAQGFM-UHFFFAOYSA-N |
| Ion Polarity |
P |
| Ionization Type |
ESI |
| SMILES |
C1=C(C=CC=C1)C(C[CH+]CC)=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: Parent |
| Source of Spectrum |
Maurer/Wissenbach/Weber, Saarland University |
| Spectrum Type |
ms3 |
| Technique |
ITMS |
