| SpectraBase Spectrum ID |
9stNREoGs1j |
| Name |
ADB-PINACA-M (HOOC-) MS2 |
| Comments |
F: ITMS + c ESI d w Full ms2 375.30 |
| Copyright |
Copyright © 2018-2025 Wiley-VCH GmbH. All Rights Reserved. |
| Formula |
C19H26N4O4 |
| InChI |
InChI=1S/C19H26N4O4/c1-19(2,3)16(17(20)26)21-18(27)15-12-8-4-5-9-13(12)23(22-15)11-7-6-10-14(24)25/h4-5,8-9,16H,6-7,10-11H2,1-3H3,(H2,20,26)(H,21,27)(H,24,25) |
| InChIKey |
IVHZMDPVHMCCKJ-UHFFFAOYSA-N |
| Ion Polarity |
P |
| Ionization Type |
ESI |
| SMILES |
OC(CCCCN1C2=C(C(C(=O)NC(C(N)=O)C(C)(C)C)=N1)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 |
ms2 |
| Technique |
ITMS |
