| SpectraBase Spectrum ID |
I7JSTy1VLAC |
| Name |
4-CN-Cumyl-BUTINACA MS3_1 |
| Comments |
F: ITMS + c ESI d w Full ms3 [email protected] [email protected] [55.00-255.00] |
| Copyright |
Copyright © 2018-2025 Wiley-VCH GmbH. All Rights Reserved. |
| Formula |
C13H15N4O |
| InChI |
InChI=1S/C13H14N4O/c14-8-4-1-5-9-17-11-7-3-2-6-10(11)12(16-17)13(15)18/h2-3,6-7H,1,4-5,9H2,(H2,15,18)/p+1 |
| InChIKey |
RSCVIJNVZYCCFT-UHFFFAOYSA-O |
| Ion Polarity |
P |
| Ionization Type |
ESI |
| SMILES |
[NH+]1(N=C(C(=O)N)C2=C1C=CC=C2)CCCCC#N |
| 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 |
