| SpectraBase Spectrum ID |
7p17fQXA4e |
| Name |
Cumyl-PINACA MS3_1 |
| Comments |
F: ITMS + c ESI d w Full ms3 [email protected] [email protected] [50.00-245.00] |
| Copyright |
Copyright © 2018-2025 Wiley-VCH GmbH. All Rights Reserved. |
| Formula |
C13H18N3O |
| InChI |
InChI=1S/C13H17N3O/c1-2-3-6-9-16-11-8-5-4-7-10(11)12(15-16)13(14)17/h4-5,7-8H,2-3,6,9H2,1H3,(H2,14,17)/p+1 |
| InChIKey |
XYYHAEYUCNIXQI-UHFFFAOYSA-O |
| Ion Polarity |
P |
| Ionization Type |
ESI |
| SMILES |
[NH3+]C(C=1C2=C(N(N1)CCCCC)C=CC=C2)=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 |
