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AB-001The Drug Enforcement Administration's Special Testing and Research Laboratory
generated this monograph using structurally confirmed reference material.
Page 1 of 6SWGDRUG.org/monographs.htmLatest Revision: 12/16/2013
Form Chemical Formula Molecular Weight Melting Point (oC)
Base C24H31NO 349 127.1
N
CH3
O
1. GENERAL INFORMATION
IUPAC Name: (1-phenyl-1H-indol-3-yl)(tricyclo[3.3.1.13,7]dec-1-yl)methanone
CAS#: Not Available
Synonyms: JWH-018 adamantyl analog; 1-pentyl-3-(1-adamantoyl)indole
Source: DEA Reference Material Collection
Appearance: Off-white powder
UVmax(nm): Not Determined
2. CHEMICAL AND PHYSICAL DATA
2.1 CHEMICAL DATA
AB-001The Drug Enforcement Administration's Special Testing and Research Laboratory
generated this monograph using structurally confirmed reference material.
Page 2 of 6SWGDRUG.org/monographs.htmLatest Revision: 12/16/2013
3. QUALITATIVE DATA
3.1 NUCLEAR MAGNETIC RESONANCE
Sample Preparation: Dilute analyte to ~10 mg/mL inCDCl3 containing TMS for 0 ppm reference anddimethylsulfone as quantitative internal standard.
Instrument: 400 MHz NMR spectrometerParameters: Spectral width: at least containing -3 ppm through 13 ppm Pulse angle: 90o
Delay between pulses: 45 seconds
8 7 6 5 4 3 2 1 0
0
1
2
3
4
5
6
3462922111
CHCl3
H2O
TMS
dimethylsulfone
1H NMR: AB-001 Lot N1P20; CDCl3; 400 MHz
4.175
2
8.0 7.5
0
0.5
1.0
2111
CHCl3
2.1 2.0 1.9 1.8
629
1.25 1.00
34
AB-001The Drug Enforcement Administration's Special Testing and Research Laboratory
generated this monograph using structurally confirmed reference material.
Page 3 of 6SWGDRUG.org/monographs.htmLatest Revision: 12/16/2013m/z35030025020015010050
[x 1
06 ]In
tens
ity
1
2
3
434
9
320
319
292
291
214
207
194
184
170
158
144
135
130
116
1029379
675543EI+
EI Mass Spectrum: AB-001 Lot N1P20
3.2 GAS CHROMATOGRAPHY/MASS SPECTROMETRY
Sample Preparation: Dilute analyte ~1 mg/mL base extracted into 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: 280oC MS Source: 230oC MS Quad: 150oC Oven program: 1) 100oC initial temperature for 1.0 min 2) Ramp to 300oC at 12 oC/min 3) Hold final temperature for 9.0 minInjection Parameters: Split Ratio = 20:1, 1 µL injectedMS Parameters: Mass scan range: 30-550 amu Threshold: 100 Tune file: stune.u Acquisition mode: scanRetention Time: 19.990 min
AB-001The Drug Enforcement Administration's Special Testing and Research Laboratory
generated this monograph using structurally confirmed reference material.
Page 4 of 6SWGDRUG.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
20
30
40
50
60
70
29122901
2850
161816101516
1452 137111901182 1134
1039906
800742
727 673 424
Wavenumber (cm-1)1700 1600 1500 1400 1300 1200 1100 1000 900 800 700
%Tr
ansm
ittan
ce
20
30
40
50
60
70
16181610
151614661452
1396 1371
1217119011821173 1134
10391016
906
800768
742727 673 424
FTIR ATR (Diamond, 3 Bounce): AB-001 Lot N1P20
AB-001The Drug Enforcement Administration's Special Testing and Research Laboratory
generated this monograph using structurally confirmed reference material.
Page 5 of 6SWGDRUG.org/monographs.htmLatest Revision: 12/16/2013
http://forendex.southernforensic.org/index.php/detail/index/1186
http://en.wikipedia.org/wiki/AB-001
4. ADDITIONAL RESOURCES
Forendex
Wikipedia
Form Chemical Formula Molecular Weight Melting Point (oC)
Form Chemical Formula Molecular Weight Melting Point (oC)
AB-001The Drug Enforcement Administration's Special Testing and Research Laboratory
generated this monograph using structurally confirmed reference material.
Page 6 of 6SWGDRUG.org/monographs.htmLatest Revision: 12/16/2013
Form Chemical Formula Molecular Weight Melting Point (oC)
Base C24H31NO 349 127.1