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MEP-CHMICAThe Drug Enforcement Administration's Special Testing and Research Laboratory
generated this monograph using structurally confirmed reference material.
Latest Revision: 10/1/2018 Page 1 of 4SWGDRUG.org/monographs.htm
1. GENERAL INFORMATION
IUPAC Name:
CAS#:
Synonyms:
Source:
Appearance:
UVmax(nm):
2. CHEMICAL AND PHYSICAL DATA
2.1 CHEMICAL DATA
Form Chemical Formula Molecular Weight Melting Point (oC)
Base C22H30N2O3 370.49 141.16
O
OCH3
N
NH
O
CH3
methyl 2-(1-(cyclohexylmethyl)-1H-indole-3-carboxamido)pentanoate
NA
MMB-CHMICA isomer 1; methyl 2-{[1-(cyclohexylmethyl)-1H-indole-3-carbonyl]amino}pentanoate
DEA Reference Material Collection
White powder
Not determined
MEP-CHMICAThe Drug Enforcement Administration's Special Testing and Research Laboratory
generated this monograph using structurally confirmed reference material.
Latest Revision: 10/1/2018 Page 2 of 4SWGDRUG.org/monographs.htm
3. QUALITATIVEDATA
3.1 NUCLEAR MAGNETIC RESONANCE
Sample Preparation: Dilute analyte to ~15 mg/mL in DMSO-d6 containing TMS for 0 ppm reference and dimethylsulfone 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
1HNMR: MEP-CHMICA; Lot # 0506714-8; DMSO-d6 ; 400MHz
8.5 8.0 7.5 7.0 6.5 6.0 5.5 5.0 4.5 4.0 3.5 3.0 2.5 2.0 1.5 1.0 0.5 0
32328321213
dimethylsulfone
water DMSO
TMS
8.125
3
7.525
1
7.20
2
4.45
1
4.05
2
3.650
3
1.75 1.50 1.25 1.00
32328
MEP-CHMICAThe Drug Enforcement Administration's Special Testing and Research Laboratory
generated this monograph using structurally confirmed reference material.
Latest Revision: 10/1/2018 Page 3 of 4SWGDRUG.org/monographs.htm
3.2 GAS CHROMATOGRAPHY/MASS SPECTROMETRY
Sample Preparation: Dilute analyte ~3 mg/mL in MeOH
Instrument: Agilent gas chromatograph operated in split mode with MS detectorColumn: HP-5 MS (or equivalent); 30m x 0.25 mm x 0.25 mCarrier Gas: Helium at 1.5 mL/minTemperatures: Injector: 280oC MSD transfer line: 280oC
MS Source: 230oC MS Quad: 150oCOven program:
1) 100oC initial temperature for 1.0 min2) Ramp to 280oC at 12 oC/min3) Hold final temperature for 9.0 min
Injection Parameters: Split Ratio = 25:1, 1 L injectedMS Parameters: Mass scan range: 30-550 amu
Tune file: stune.u Threshold: 250 Acquisition mode: scan
Retention Time: 20.392 min
EI Mass Spectrum: MEP-CHMICA; Lot # 0506714-8
m/z35030025020015010050
[x 1
05 ]In
tens
ity
0
0.5
1.0
1.5
2.0
2.5
3.0
3.5
4.0
4.5
5.0
39393939393939393939393939393939393939393939
4141414141414141414141414141414141414141414143434343434343434343434343434343434343434343
55555555555555555555555555555555555555555555
595959595959595959595959595959595959595959596767676767676767676767676767676767676767676783838383838383838383838383838383838383838383
8989898989898989898989898989898989898989898997979797979797979797979797979797979797979797 102102102102102102102102102102102102102102102102102102101010102
116116116116116116116116116116116116116116116116116116116116116116
129129129129129129129129129129129129129129129129129129129129129129
130130130130130130130130130130130130130130130130130130130130130130
144144144144144144144144144144144144144144144144144144144144144144
144144144144144144144144144144144144144144144144144144144144144144
157157157157157157157157157157157157157157157157157157157157157157173173173173173173173173173173173173173173173173173173173173173173
184184184184184184184184184184184184184184184184184184184184184184212212212212212212212212212212212212212212212212212212212212212212213213213213213213213213213213213213213213213213213213213213213213
240240240240240240240240240240240240240240240240240240240240240240
241241241241241241241241241241241241241241241241241241241241241241
256256256256256256256256256256256256256256256256256256256256256256
268268268268268268268268268268268268268268268268268268268268268268287287287287287287287287287287287287287287287287287287287287287287
296296296296296296296296296296296296296296296296296296296296296296309309309309309309309309309309309309309309309309309309309309309309
328328328328328328328328328328328328328328328328328328328328328328
338338338338338338338338338338338338338338338338338338338338338338
353353353353353353353353353353353353353353353353353353353353353353
370370370370370370370370370370370370370370370370370370370370370370
MEP-CHMICAThe Drug Enforcement Administration's Special Testing and Research Laboratory
generated this monograph using structurally confirmed reference material.
Latest Revision: 10/1/2018 Page 4 of 4SWGDRUG.org/monographs.htm
3.3 INFRARED SPECTROSCOPY (FTIR)
Instrument: FTIR with diamond ATR attachment (1 bounce)Scan Parameters: Number of scans: 32
Number of background scans: 32Resolution: 4 cm-1
Sample gain: 1Aperture: 150
FTIR ATR (Diamond 1 Bounce): MEP-CHMICA; Lot # 0506714-8
Wavenumber (cm-1)3500 3000 2500 2000 1500 1000
%Tr
ansm
ittan
ce
40
48
56
64
72
429429429429429429429429429429429429429429429429429429429429429429565
565565565565565565565565565565565565565565565565565565565565565
733733733733733733733733733733733733733733733733733733733733733733
1013101310131013101310131013101310131013101310131013101310131013101310131013101310131013
1167116711671167116711671167116711671167116711671167116711671167116711671167116711671167
1212121212121212121212121212121212121212121212121212121212121212121212121212121212121212
1453145314531453145314531453145314531453145314531453145314531453145314531453145314531453
15201520152015201520152015201520152015201520152015201520152015201520152015201520152015201540
154015401540154015401540154015401540154015401540154015401540154015401540154015401540
1619161916191619161916191619161916191619161916191619161916191619161916191619161916191619
1738173817381738173817381738173817381738173817381738173817381738173817381738173817381738
2851285128512851285128512851285128512851285128512851285128512851285128512851285128512851
2925292529252925292529252925292529252925292529252925292529252925292529252925292529252925
3108310831083108310831083108310831083108310831083108310831083108310831083108310831083108
3319331933193319331933193319331933193319331933193319331933193319331933193319331933193319
Wavenumber (cm-1)1900 1800 1700 1600 1500 1400 1300 1200 1100 1000 900 800 700
%Tr
ansm
ittan
ce
40
48
56
64
72
429429429429429429429429429429429429429429429429429429429429429429565
565565565565565565565565565565565565565565565565565565565565565
622622622622622622622622622622622622622622622622622622622622622622
673673673673673673673673673673673673673673673673673673673673673673
733733733733733733733733733733733733733733733733733733733733733733
745745745745745745745745745745745745745745745745745745745745745745
779779779779779779779779779779779779779779779779779779779779779779
834834834834834834834834834834834834834834834834834834834834834834864
864864864864864864864864864864864864864864864864864864864864864
903903903903903903903903903903903903903903903903903903903903903903
978978978978978978978978978978978978978978978978978978978978978978
1013101310131013101310131013101310131013101310131013101310131013101310131013101310131013
1105110511051105110511051105110511051105110511051105110511051105110511051105110511051105
1143114311431143114311431143114311431143114311431143114311431143114311431143114311431143
1167116711671167116711671167116711671167116711671167116711671167116711671167116711671167
1212121212121212121212121212121212121212121212121212121212121212121212121212121212121212
1232123212321232123212321232123212321232123212321232123212321232123212321232123212321232
12801280128012801280128012801280128012801280128012801280128012801280128012801280128012801397
1397139713971397139713971397139713971397139713971397139713971397139713971397139713971453
145314531453145314531453145314531453145314531453145314531453145314531453145314531453
1462146214621462146214621462146214621462146214621462146214621462146214621462146214621462
15201520152015201520152015201520152015201520152015201520152015201520152015201520152015201540
154015401540154015401540154015401540154015401540154015401540154015401540154015401540
1572157215721572157215721572157215721572157215721572157215721572157215721572157215721572
1619161916191619161916191619161916191619161916191619161916191619161916191619161916191619
1738173817381738173817381738173817381738173817381738173817381738173817381738173817381738