| SpectraBase Spectrum ID |
L0op4RPUPRU |
| Name |
Cumyl-THPINACA MS3_1 |
| Comments |
F: ITMS + c ESI d w Full ms3 [email protected] [email protected] [60.00-275.00] |
| Copyright |
Copyright © 2018-2025 Wiley-VCH GmbH. All Rights Reserved. |
| Formula |
C14H18N3O2 |
| InChI |
InChI=1S/C14H17N3O2/c15-14(18)13-11-3-1-2-4-12(11)17(16-13)9-10-5-7-19-8-6-10/h1-4,10H,5-9H2,(H2,15,18)/p+1 |
| InChIKey |
YDWJFQSDUXGIOZ-UHFFFAOYSA-O |
| Ion Polarity |
P |
| Ionization Type |
ESI |
| SMILES |
[NH3+]C(C=1C2=C(N(N1)CC1CCOCC1)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 |
