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  • 5FPB22

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    Mihaela Balan
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    1. 5-Fluoro-PB-22 is a synthetic cannabinoid with an IUPAC name of quinolin-8-yl 1-(5-fluoropentyl)-1H-indole-3-carboxylate. It has a molecular weight of 376 and melts at 117.4°C. 2. Analytical data is provided including NMR, GC-MS, and FTIR spectra to aid in identification. NMR analysis was conducted on a 400 MHz spectrometer. GC-MS was performed using an Agilent gas chromatograph with a DB-1 MS column and helium carrier gas. FTIR used a diamond ATR attachment with a

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    1. 5-Fluoro-PB-22 is a synthetic cannabinoid with an IUPAC name of quinolin-8-yl 1-(5-fluoropentyl)-1H-indole-3-carboxylate. It has a molecular weight of 376 and melts at 117.4°C. 2. Analytical data is provided including NMR, GC-MS, and FTIR spectra to aid in identification. NMR analysis was conducted on a 400 MHz spectrometer. GC-MS was performed using an Agilent gas chromatograph with a DB-1 MS column and helium carrier gas. FTIR used a diamond ATR attachment with a

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    66 views4 pages

    5FPB22

    Uploaded by

    Mihaela Balan
    1. 5-Fluoro-PB-22 is a synthetic cannabinoid with an IUPAC name of quinolin-8-yl 1-(5-fluoropentyl)-1H-indole-3-carboxylate. It has a molecular weight of 376 and melts at 117.4°C. 2. Analytical data is provided including NMR, GC-MS, and FTIR spectra to aid in identification. NMR analysis was conducted on a 400 MHz spectrometer. GC-MS was performed using an Agilent gas chromatograph with a DB-1 MS column and helium carrier gas. FTIR used a diamond ATR attachment with a

    Copyright:

    Attribution Non-Commercial (BY-NC)
    Download as PDF, TXT or read online from Scribd
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    of 4

    5-Fluoro-PB-22

    Latest Revision: May 3, 2013 F

    1. GENERAL INFORMATION IUPAC Name: CFR: CAS#: Synonyms: Source: Appearance: Kovat's Index: UVmax (nm): quinolin-8-yl 1-(5-fluoropentyl)-1H-indole-3-carboxylate Not Scheduled (5/2013) 1400742-41-7 5F-PB-22 DEA Reference Material Collection White powder Pending Not Determined

    2. CHEMICAL AND PHYSICAL DATA 2.1 CHEMICAL DATA Form Base Chemical Formula C23H21FN2O2 Molecular Weight 376 Melting Point ( oC) 117.4

    3. ADDITIONAL RESOURCES
    http://forendex.southernforensic.org/index.php/detail/index/1233 Forendex http://en.wikipedia.org/wiki/5F-PB-22 Wikipedia

    Page 1 of 4

    4. QUALITATIVE DATA 4.1 NUCLEAR MAGNETIC RESONANCE Method NMR D 2O Sample Preparation: Dilute analyte to ~15 mg/mL inCDCl3 containing TMS for 0 ppm reference. 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

    H NMR: 5-Fluoro-PB-22 Lot # RM-032013-2; CDCl3; 400 MHz

    10 9 8 7
    TMS

    6 5 4 3 2 1 1 9 7.5 5.0 2.5 1 8.5 1 2 1 2 22 1 1 2 2 2.00 2 2


    CHCl3 CHCl3

    12 8

    1 2 22 7 6 5

    11 2 4 3

    2 2 2 2 Chemical Shift (ppm)

    Chemical Shift (ppm)

    4.50 Chemical Shift (ppm)

    Chemical Shift (ppm)

    Page 2 of 4

    4.2 Gas Chromatography/Mass Spectrometry Sample Preparation: Dilute analyte ~1 mg/mL in chloroform. 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 23.606 min EI Mass Spectrum: 5-Fluoro-PB-22 Lot # RM-032013-2
    5 Intensity [x 10 ] 232 41 89 116 144 102 129 212

    Injection Parameters: MS Parameters:

    Retention Time:

    3.0 2.5 2.0 1.5 1.0 47 62 63 159 160 176 183 272 283 287 196 255 258 302 341 357 0.5 376 m/z

    EI+

    50

    75 76

    100

    150

    200

    250

    300

    350

    Page 3 of 4

    4.3 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): 5-Fluoro-PB-22 Lot RM-032013-2
    %Transmittance

    3122

    2854 2941

    1593

    430 544 752 567 769 613 787 721 812 849 904 939 962 987 1057 1082 1093 1159 1311 1194 1223 1379 1466 1529 1711

    72 64 56

    3500 %Transmittance

    3000

    2500

    2000

    1500

    Wavenumber (cm-1)

    1593

    1311

    72 1487 64 56 1362 1379 1529

    588 631

    459

    544

    1400 1159 1194 1223 987

    567

    613

    1466

    430

    1700

    1711 1600

    1057 1082 1093

    962

    752 787 812

    1500

    1400

    1300

    1200

    1100

    1000

    900

    800

    700 Wavenumber (cm-1)

    Page 4 of 4

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