| SpectraBase Spectrum ID |
79pIzpgsiK0 |
| Name |
5-F-ADB-PINACA-M (HOOC-defluoro-HO-) MS2 |
| Comments |
F: ITMS + c ESI d w Full ms2 362.30 |
| Copyright |
Copyright © 2018-2025 Wiley-VCH GmbH. All Rights Reserved. |
| Formula |
C19H27N3O4 |
| InChI |
InChI=1S/C19H27N3O4/c1-19(2,3)16(18(25)26)20-17(24)15-13-9-5-6-10-14(13)22(21-15)11-7-4-8-12-23/h5-6,9-10,16,23H,4,7-8,11-12H2,1-3H3,(H,20,24)(H,25,26) |
| InChIKey |
KKSZGRJWFAYUMS-UHFFFAOYSA-N |
| Ion Polarity |
P |
| Ionization Type |
ESI |
| SMILES |
N(C(C=1C2=CC=CC=C2N(CCCCCO)N1)=O)C(C(O)=O)C(C)(C)C |
| 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 |
