| SpectraBase Spectrum ID |
EJRGIeqmWx7 |
| Name |
5-F-ADB-PINACA-M (defluoro-HOOC-) MS3_1 |
| Comments |
T: ITMS + c ESI d w Full ms3 [email protected] [email protected] [80.00-345.00] |
| Copyright |
Copyright © 2018-2025 Wiley-VCH GmbH. All Rights Reserved. |
| Formula |
C18H24N3O3 |
| InChI |
InChI=1S/C18H23N3O3/c1-18(2,3)12-19-17(24)16-13-8-4-5-9-14(13)21(20-16)11-7-6-10-15(22)23/h4-5,8-9,12H,6-7,10-11H2,1-3H3,(H-,19,22,23,24)/p+1 |
| InChIKey |
QSHGGMSYIMGXJA-UHFFFAOYSA-O |
| Ion Polarity |
P |
| Ionization Type |
ESI |
| SMILES |
OC(CCCCN1C2=C(C(C(=O)N[CH+]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 |
ms3 |
| Technique |
ITMS |
