For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.
5-F-MDMB-PINACA-M (defluoro-HO-) MS2
SpectraBase Compound ID 3Kjd0SkOtLL
InChI InChI=1S/C20H29N3O4/c1-20(2,3)17(19(26)27-4)21-18(25)16-14-10-6-7-11-15(14)23(22-16)12-8-5-9-13-24/h6-7,10-11,17,24H,5,8-9,12-13H2,1-4H3,(H,21,25)
InChIKey NSZKXPRDEZMVDK-UHFFFAOYSA-N
Mol Weight 375.47 g/mol
Molecular Formula C20H29N3O4
Exact Mass 375.215806 g/mol

Mass Spectrum (LC)

Mass Spectrum (LC)

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID 1ydIQyK1uFK
Name 5-F-MDMB-PINACA-M (defluoro-HO-) MS2
Comments F: ITMS + c ESI d w Full ms2 376.30
Copyright Copyright © 2018-2025 Wiley-VCH GmbH. All Rights Reserved.
Formula C20H29N3O4
InChI InChI=1S/C20H29N3O4/c1-20(2,3)17(19(26)27-4)21-18(25)16-14-10-6-7-11-15(14)23(22-16)12-8-5-9-13-24/h6-7,10-11,17,24H,5,8-9,12-13H2,1-4H3,(H,21,25)
InChIKey NSZKXPRDEZMVDK-UHFFFAOYSA-N
Ion Polarity P
Ionization Type ESI
SMILES N(C(C=1C2=CC=CC=C2N(CCCCCO)N1)=O)C(C(OC)=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