5-fluoro-pb-22 - swgdrug · ei mass spectrum: 5-fluoro-pb-22 lot # rm-032013-2 3.2 gas...
TRANSCRIPT
5-Fluoro-PB-22The Drug Enforcement Administration's Special Testing and Research Laboratory
generated this monograph using structurally confirmed reference material.
Page 1 of 5SWGDRUG.org/monographs.htmLatest Revision: 12/16/2013
Form Chemical Formula Molecular Weight Melting Point (oC)
Base C23H21FN2O2 376 117.4
N
O
O
N
F
1. GENERAL INFORMATION
IUPAC Name: quinolin-8-yl 1-(5-fluoropentyl)-1H-indole-3-carboxylate
CAS#: 1400742-41-7
Synonyms: 5F-PB-22
Source: DEA Reference Material Collection
Appearance: White powder
UVmax(nm): Not Determined
2. CHEMICAL AND PHYSICAL DATA
2.1 CHEMICAL DATA
5-Fluoro-PB-22The Drug Enforcement Administration's Special Testing and Research Laboratory
generated this monograph using structurally confirmed reference material.
Page 2 of 5SWGDRUG.org/monographs.htmLatest Revision: 12/16/2013
3. QUALITATIVE DATA
3.1 NUCLEAR MAGNETIC RESONANCE
Method NMR D2O
Sample Preparation: Dilute analyte to ~15 mg/mL inCDCl3 containing TMS for 0 ppm reference.
Instrument: 400 MHz NMR spectrometerParameters: Spectral width: at least containing -3 ppm through 13 ppm
Pulse angle: 90o
Delay between pulses: 45 seconds
Chemical Shift (ppm)9 8 7 6 5 4 3 2
0
1
2
3
4
5
6
7
8
9
10
2222112221211
CHCl3
TMS
1H NMR: 5-Fluoro-PB-22 Lot # RM-032013-2; CDCl3; 400 MHz
Chemical Shift (ppm)8.5
0
2.5
5.0
7.5
2221211
CHCl3
Chemical Shift (ppm)4.50
211
Chemical Shift (ppm)2.00
222
5-Fluoro-PB-22The Drug Enforcement Administration's Special Testing and Research Laboratory
generated this monograph using structurally confirmed reference material.
Page 3 of 5SWGDRUG.org/monographs.htmLatest Revision: 12/16/2013
m/z35030025020015010050
[x 1
05 ]In
tens
ity
0.5
1.0
1.5
2.0
2.5
3.0
4147 62 63
75 7689
102
116
129
144
159
160
176
183
196 21
2
232
255
258
272
283
287
302
341
357 37
6
EI+
EI Mass Spectrum: 5-Fluoro-PB-22 Lot # RM-032013-2
3.2 Gas Chromatography/Mass Spectrometry
Sample Preparation: Dilute analyte ~1 mg/mL in chloroform.
Instrument: Agilent gas chromatograph operated in split mode with MS detectorColumn: DB-1 MS (or equivalent); 30m x 0.25 mm x 0.25 µmCarrier Gas: Helium at 1 mL/minTemperatures: Injector: 280oC
MSD transfer line: 280oCMS Source: 230oCMS Quad: 150oCOven program:1) 100oC initial temperature for 1.0 min2) Ramp to 300oC at 12 oC/min3) Hold final temperature for 9.0 min
Injection Parameters: Split Ratio = 20:1, 1 µL injectedMS Parameters: Mass scan range: 30-550 amu
Threshold: 100Tune file: stune.uAcquisition mode: scan
Retention Time: 23.606 min
5-Fluoro-PB-22The Drug Enforcement Administration's Special Testing and Research Laboratory
generated this monograph using structurally confirmed reference material.
Page 4 of 5SWGDRUG.org/monographs.htmLatest Revision: 12/16/2013
3.3 INFRARED SPECTROSCOPY (FTIR)
Insrument: FTIR with diamond ATR attachment (3 bounce)Scan Parameters: Number of scans: 32
Number of background scans: 32Resolution: 4 cm-1
Sample gain: 8Aperture: 150
Wavenumber (cm-1)3500 3000 2500 2000 1500
%Tr
ansm
ittan
ce
56
64
72
430544
567613
721
752769787
812849
904939
962987
1057108210931159
11941223
1311
13791466
15291593
1711
28542941
3122
Wavenumber (cm-1)1700 1600 1500 1400 1300 1200 1100 1000 900 800 700
%Tr
ansm
ittan
ce
56
64
72
430459544
567588
613631
752787812
962987
1057108210931159
11941223
131113621379
1400
14661487
1529
1593
1711
FTIR ATR (Diamond, 3 Bounce): 5-Fluoro-PB-22 Lot RM-032013-2
5-Fluoro-PB-22The Drug Enforcement Administration's Special Testing and Research Laboratory
generated this monograph using structurally confirmed reference material.
Page 5 of 5SWGDRUG.org/monographs.htmLatest Revision: 12/16/2013
http://forendex.southernforensic.org/index.php/detail/index/1233
http://en.wikipedia.org/wiki/5F-PB-22
4. ADDITIONAL RESOURCES
Forendex
Wikipedia