SpectraBase Spectrum ID |
GoS1fCveCix |
Name |
4-CN-Cumyl-BUTINACA MS3_2 |
Comments |
F: ITMS + c ESI d w Full ms3 [email protected] [email protected] [50.00-240.00] |
Copyright |
Copyright © 2018-2025 Wiley-VCH GmbH. All Rights Reserved. |
InChI |
InChI=1S/C13H12N3O/c14-8-4-1-5-9-16-13-7-3-2-6-11(13)12(10-17)15-16/h2-3,6-7H,1,4-5,9H2/q+1 |
InChIKey |
NKRNQHASFASXPV-UHFFFAOYSA-N |
Ion Polarity |
P |
Ionization Type |
ESI |
SMILES |
C1=CC2=C(C=C1)C(=NN2CCCCC#N)[C+]=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 |