| SpectraBase Spectrum ID |
1loyoqzDtFY |
| Name |
ADB-CHMINACA-M (HOOC-HO-) isomer 1 MS3_2 |
| Comments |
F: ITMS + c ESI d w Full ms3 [email protected] [email protected] [55.00-250.00] |
| Copyright |
Copyright © 2018-2025 Wiley-VCH GmbH. All Rights Reserved. |
| InChI |
InChI=1S/C15H15N2O/c18-11-14-13-8-4-5-9-15(13)17(16-14)10-12-6-2-1-3-7-12/h1-2,4-5,8-9,12H,3,6-7,10H2/q+1 |
| InChIKey |
ZDCZCLUCUGAYLB-UHFFFAOYSA-N |
| Ion Polarity |
P |
| Ionization Type |
ESI |
| SMILES |
[C+](C=1C2=C(N(N1)CC1CCC=CC1)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: Metabolite |
| Source of Spectrum |
Maurer/Wissenbach/Weber, Saarland University |
| Spectrum Type |
ms3 |
| Technique |
ITMS |
