| SpectraBase Spectrum ID |
CQa3P5T6FN4 |
| Name |
Dimethylone MS3_1 |
| Comments |
T: ITMS + c ESI d w Full ms3 [email protected] [email protected] [50.00-190.00] |
| Copyright |
Copyright © 2018-2025 Wiley-VCH GmbH. All Rights Reserved. |
| Formula |
C10H9O3 |
| InChI |
InChI=1S/C15H10N5/c1-2-17-13-5-3-4-11(8-13)14-6-7-18-15-12(9-16)10-19-20(14)15/h3-8,10H,1H3/q+1 |
| InChIKey |
ZNCYCRRBVGHWDA-UHFFFAOYSA-N |
| Ion Polarity |
P |
| Ionization Type |
ESI |
| SMILES |
[C+](=NC1=CC(C=2N3C(=C(C#N)C=N3)N=CC2)=CC=C1)C |
| 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 |
