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The Drug Enforcement Administration's Special Testing and Research Laboratory generated this monograph using structurally confirmed reference material. H 3C H 3C O O NH 2 NH
N N CH 3 1. GENERAL INFORMATION IUPAC Name: CAS#: Synonyms: Source: Appearance: UVmax (nm): N-(1-amino-3-methyl-1-oxobutan-2-yl)-1-pentyl-1H-indazole-3-carboxamide 1445752-09-9 N/A DEA Reference Material Collection White powder (HCl) Not Determined
Form Base
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AB-PINACA
The Drug Enforcement Administration's Special Testing and Research Laboratory generated this monograph using structurally confirmed reference material. 3. QUALITATIVE DATA 3.1 NUCLEAR MAGNETIC RESONANCE Sample Preparation: Dilute analyte to ~10 mg/mL inCD3OD containing TMS for 0 ppm reference and maleic acid as quantitative internal standard. Instrument: Parameters: 400 MHz NMR spectrometer Spectral width: at least containing -3 ppm through 13 ppm Pulse angle: 90o Delay between pulses: 45 seconds
1
10 9 8 7 6 5 4 3 2 1 0 1 8 1 1 1 7 6 5 3 4 3 1 2 2 4 6 3 1 0
TMS from CD3OD Maleic Acid
1.0 0.5 0 1 8.00 7.75 1 1 7.50 1 3 4.50 4.45 1 2 2.00 1.75 1.50 4 6 3 1.0 0.9
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AB-PINACA
The Drug Enforcement Administration's Special Testing and Research Laboratory generated this monograph using structurally confirmed reference material. 3.2 GAS CHROMATOGRAPHY/MASS SPECTROMETRY Sample Preparation: Dilute analyte ~4 mg/mL in methanol. Instrument: Column: Carrier Gas: Temperatures: Agilent gas chromatograph operated in split mode with MS detector DB-1 MS (or equivalent); 30m x 0.25 mm x 0.25 m Helium at 1 mL/min Injector: 280oC MSD transfer line: 280oC MS Source: 230 oC MS Quad: 150oC Oven program: 1) 100oC initial temperature for 1.0 min 2) Ramp to 300 oC at 12 oC/min 3) Hold final temperature for 9.0 min Split Ratio = 20:1, 1 L injected Mass scan range: 30-550 amu Threshold: 100 Tune file: stune.u Acquisition mode: scan 17.220 min EI Mass Spectrum: AB-PINACA Lot # RM-130816-01
215 145
Retention Time:
5 Intensity [x 10 ] 5
2 43 90 103
171
185
200
250
271
300
330 m/z
286
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AB-PINACA
The Drug Enforcement Administration's Special Testing and Research Laboratory generated this monograph using structurally confirmed reference material. 3.3 INFRARED SPECTROSCOPY (FTIR) Insrument: Scan Parameters: FTIR with diamond ATR attachment (3 bounce) Number of scans: 32 Number of background scans: 32 Resolution: 4 cm-1 Sample gain: 8 Aperture: 150 FTIR ATR (Diamond, 3 Bounce): AB-PINACA Lot # RM-130816-01
%Transmittance
671 777 806 785 1003 1165 1086 1182 1138 1228 1242 1317 1373 1398 1471 1491
3178
1574
3317 3371
436
72 64 56
521 567
1682 1660
1533 1632
754
3500 %Transmittance
3000
2500
2000
1500
Wavenumber (cm-1)
1003
806
1574
1138
1443
1086
544
777 785
725
567
521
671
1491
1400
1398 1300
1200
1100
1000
900
800
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AB-PINACA
The Drug Enforcement Administration's Special Testing and Research Laboratory generated this monograph using structurally confirmed reference material. 4. ADDITIONAL RESOURCES Forendex http://forendex.southernforensic.org/index.php/detail/index/1234 Wikipedia http://en.wikipedia.org/wiki/AB-PINACA Uchiyama, N. et al; New cannabimimetic indazole derivatives, N-(1-amino-3-methyl-1-oxobutan-2-yl)-1-pentyl-1H-indazole-3-carboxamide (AB-PINACA) and N-(1-amino-3-methyl-1-oxobutan-2-yl)-1-(4-fluorobenzyl)-1H-indazole-3-carboxamide (AB-FUBINACA) identified as designer drugs in illegal products. Forensic Toxicol (2013) 31:93-100.
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