AB-FUBINACA metabolite 3

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Systematic / IUPAC Name: (2S)-2-({1-[(4-Fluorophenyl)methyl]indazole-3-carbonyl}amino)-3-methylbutanoic acid

ID: Reference6871

Other Names: MMB-FUBINACA metabolite 1

Formula: C20H20FN3O3

Class: Drugs of Abuse/Illegal Drugs Sports Doping Drugs

Spectral Data

AB-FUBINACA metabolite 3 mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.

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Available MS Data

Used Instruments Orbitrap Fusion with FAIMS ; Q Exactive Plus Orbitrap
No. of Spectral Trees 5
No. of Spectra 1746
Tandem Spectra MS1, MS2, MS3, MS4, MS5
Ionization Methods ESI; NSI
Analyzers FT
Last Modification 11/30/2018 1:33:38 PM
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Identificators

InChI InChI=1S/C20H20FN3O3/c1-12(2)17(20(26)27)22-19(25)18-15-5-3-4-6-16(15)24(23-18)11-13-7-9-14(21)10-8-13/h3-10,12,17H,11H2,1-2H3,(H,22,25)(H,26,27)/t17-/m0/s1
InChI Key XWTKFXNTAUXIRK-KRWDZBQOSA-N
Canonical SMILES CC(C)C(C(=O)O)NC(=O)C1=NN(C2=CC=CC=C21)CC3=CC=C(C=C3)F
CAS 1877243601
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Other Names MMB-FUBINACA metabolite 1

In Other Databases

PubChem 129532629