AB-001 - SWGDRUG · AB-001 The Drug Enforcement Administration's Special Testing and Research Laboratory generated this monograph using structurally confirmed reference material

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




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



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




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




http://forendex.southernforensic.org/index.php/detail/index/1186

http://en.wikipedia.org/wiki/AB-001

4. ADDITIONAL RESOURCES

Forendex

Wikipedia







Base C24H31NO 349 127.1

Documents

AB-001 - SWGDRUG · AB-001 The Drug Enforcement Administration's Special Testing and Research Laboratory generated this monograph using structurally confirmed reference material