Application Compendium
IDENTIFICATION OF SYNTHETIC CANNABINOIDS IN HERBAL INCENSE BLENDS BY GC/MS
2
Table of ContentsIntroduction ..........................................................................................................................3
Sample Preparation..............................................................................................................4
Gas Chromatograph and Mass Spectrometer Conditions ...................................................5
GC/MS Total Ion Chromatogram of the Synthetic Cannabinoids Evaluated .......................6
JWH-007 .............................................................................................................................7
JWH-015 .............................................................................................................................8
JWH-018 .............................................................................................................................9
JWH-018 1-methylhexyl homolog ....................................................................................10
JWH-018 6-methoxyindole analog ...................................................................................11
JWH-019 ...........................................................................................................................12
JWH-073 ...........................................................................................................................13
JWH-073 2-methylbutyl homolog .....................................................................................14
JWH-081 ...........................................................................................................................15
JWH-098 ...........................................................................................................................16
JWH-122 ...........................................................................................................................17
JWH-133 ...........................................................................................................................18
JWH-200 ...........................................................................................................................19
JWH-201 ...........................................................................................................................20
JWH-203 ...........................................................................................................................21
JWH-210 ...........................................................................................................................22
JWH-250 ...........................................................................................................................23
JWH-251 ...........................................................................................................................24
JWH-302 ...........................................................................................................................25
JWH-398 ...........................................................................................................................26
HU-210...............................................................................................................................27
HU-210-di-TMS derivative .................................................................................................28
HU-211...............................................................................................................................29
HU-211-di-TMS derivative .................................................................................................30
HU-308...............................................................................................................................31
HU-308-mono-TMS derivative ...........................................................................................32
HU-331...............................................................................................................................33
HU-331-tri-TMS derivative .................................................................................................34
CB-25 .................................................................................................................................35
CB-25-di-TMS derivative ...................................................................................................36
CB-52 .................................................................................................................................37
CB-52-di-TMS derivative ...................................................................................................38
CP47,497 (C7 analog) .......................................................................................................39
CP47,497 (C7 analog)-di-TMS derivative .........................................................................40
CP47,497 (C8 analog) .......................................................................................................41
CP47,497 (C8 analog)-di-TMS derivative .........................................................................42
CP55,940 ...........................................................................................................................43
CP55,940-tri-TMS derivative .............................................................................................44
AM-694 ..............................................................................................................................45
AM-2201 ...........................................................................................................................46
RCS-4 .................................................................................................................................47
RCS-8 .................................................................................................................................48
WIN55,212-2 .....................................................................................................................49
WIN55-212-3 ....................................................................................................................50
3
Identifi cation of Synthetic Cannabinoids in Herbal Incense Blends by GC/MSApplication Compendium
IntroductionBy Fran Diamond, Chemistry Technical Leader, NMS Labs
The recent phenomenon of synthetic cannabinoid usage has given law enforcement and
testing laboratories a series of challenges to overcome in order to provide testing of these new
materials. These emerging substances are being manufactured and distributed worldwide,
but few legitimate certifi ed synthetic laboratories have been able to keep up with numerous
analogous and homologous materials that are used. Analytical laboratories have had a diffi cult
time obtaining pure reference material to use for positive identifi cation. The sheer number
of different chemicals has also thwarted the attempts of law-enforcement to crack down on
the distribution and use. These are legal drugs. As soon as legislation is passed banning their
use, different drugs show up in the next wave. These chemicals have different function group
chemistry that dictates a sample extraction procedure that will capture the various chemical
functionalities. Some of these new compounds are extremely potent in terms of dosage so that
they may only be present at trace levels. This necessitates the ability to analyze the complex
chromatographic data in the presence of large amounts of co-extractant material. These
materials are also structurally similar in terms of chromatographic retention time and mass
spectral appearance. Data analysis needs to be able to identify the subtle differences in these
species and be able to detect these substances in complex mixtures.
Test development and validation was completed at the Criminalistics division of NMS labs.
For 40 years, NMS Labs has been setting the standard for excellence in forensic testing with
state-of-the-art tests that other labs don’t or can’t provide. A national reference laboratory,
NMS Labs is unsurpassed in its scope of tests, accuracy of results, client service, scientifi c
expertise, and innovation.
4
HomogenizationThese synthetic cannabinoid preparations are produced by preparing a solution of the pure
chemical in acetone. Next, this acetone solution is sprayed onto the botanical matrix. The
botanical material is then air-dried, and is soft and light. These properties make it diffi cult to
crush into a homogeneous material to allow for proper representative sampling. We tested
numerous methods such as crushing in a mortar and pestle, an herb grinder, and even
electrical grinders and mills. These procedures did not produce acceptable results. We fi nally
developed a method of grinding by applying approximately 500 mg of material between two
5 in. x 5in. sheets of sandpaper (grit#100) and rubbing the two sheets together until a fi nely
divided powder was obtained.
ExtractionThe chemicals in this class contain various functional groups that require we use a generalized
method of extraction. We have used two basic strategies: an acid/base combined extraction
and a simple methanol incubation followed by centrifugation. In the acid/base extraction, we
acidify an aliquot of sample (between 50 and 100 mg of ground material) by adding 1 mL of
de-ionized water followed by the addition of 3 drops of 10% HCl. We next add 1 mL of solvent
extraction (95% methylene chloride/5% isopropanol v/v) and mix briefl y. We centrifuge the
sample and remove the bottom solvent layer and keep. To the remaining aqueous mixture,
we add 2 drops of concentrated ammonium hydroxide solution and add 1 mL of the above
mentioned mixed solvent. Tubes are again mixed and centrifuged, and the lower solvent layer
is removed and combined with the initial solvent. This combined extract is then mixed briefl y
and transferred to an autosampler vial and capped. It is now ready for instrumental analysis.
DerivatizationSome of the chemicals used in production contain active, polar funtional groups such as
alcohols, phenols, amides and ketones that negatively impact the GC/MS analysis in their
native form. To enhance sensitivity and detectability, we will employ a derivatization procedure
to shield these polar groups.
We employ the use of BSTFA with 1% TMCS. The procedure is performed as follows: The
above mentioned extracts are evaporated to dryness at room temperature under a gentle
stream of nitrogen. It is crucial that these extracts are completely dry and free from residual
water or alcohol as this will neutralize the derivatizing agent. Next, 50 uL of SELECTRA-SIL®
(BSTFA with 1% TMCS) was added and the tube capped. Tube is incubated at 70 °C for thirty
minutes. Upon cooling, the derivatized mixture is transferred to an autosampler vial with a
200 µL insert, capped, and sealed. Samples are now ready for instrumental analysis.
Sample Preparation
5
Gas Chromatograph and Mass Spectrometer ConditionsGCAgilent technologies 6890 with fast oven, Autoinjector and tray
Inlet EPC Split/splitless
Mode Constant pressure
Injection type Splitless
Injection volume (uL) 1.0
Inlet temperature (°C) 265
Pressure nominal (psig) 20.70
Purge fl ow (ml/min.) 50
Purge time (min.) 0.30
Gas type Helium
OvenVoltage (VAC) 240
Initial Oven Temp. (°C) 50
Initial oven hold (min.) 0
Ramp rate (°C/min.) 20
Final Temp. (°C) 340
Final hold (min.) 2.0
Total Run Time (min.) 16.50
Equilibration time (min.) 0.1
ColumnType DB-1
Agilent part number 128-1012
Length (m) 12
Diameter (mm) 0.200
Film Thickness (um) 0.33
Nominal Initial Flow (mL/min) 2.6
MSDAgilent Technologies 5973 network
Vacuum pump Turbo
Tune File Atune.U
Mode scan
Solvent delay (min.) 1.5
EM voltage Atune Voltage
Low mass (amu) 40
High mass (amu) 620
Threshold 250
Sampling 1
Quad temp (°C) 150
Source temp (°C) 230
Transfer line temp (°C) 300
6
GC/MS Total Ion Chromatogram of the Synthetic Cannabinoids Evaluated
8.00 8.50 9.00 9.50 10.00 10.50 11.00 11.50 12.00 12.50 13.00 13.50 14.00 14.50 15.000
100000
200000
300000
400000
500000
600000
700000
800000
900000
1000000
1100000
1200000
Time-->
Abundance
1
2
3
4
5
6
7
8
910
12
11
13
15
14
16
1718
19
20
21
22
23
24
2526
27
1) Internal standard 2) JWH-133 3) HU-331 4) CP47,497 (C7 analog) 5) CP47,497 (C8 analog) 6) HU-308 7) JWH-251 8) JWH-203 9) JWH-250 10) RCS-4 11) CP55,940 12) HU-210/211 13) JWH-015 14) AM-694 15) JWH-073 16) JWH-018 17) JWH-019 18) AM-2201 19) JWH-122 20) RCS-8 21) JWH-398 22) JWH-210 23) CB-25 24) JWH-081 25) CB-52 26) JWH-200 27) WIN55,212-2/-3
7
JWH-007
Chemical name 1-pentyl-2-methyl-3-(1-naphthoyl)indole
Molecular formula C25
H25
NO
Molecular mass 355.471
Major GC/MS ions 355.2, 354.2, 127.0, 340.1, 298.1
Ions used for analysis Target 355
Qualifi er-1 340
Qualifi er-2 127
Retention time 12.97 minutes
LOD Not yet established
Mass Spectrum:
Molecular Structure:
30 40 50 60 70 80 90 100 110 120 130 140 150 160 170 180 190 200 210 220 230 240 250 260 270 280 290 300 310 320 330 340 350 3600
20000
40000
60000
80000
100000
120000
140000
160000
180000
200000
220000
m/z-->
A ecnadnub355
127
340
298155
270
43 228
284254 312241
11532677 215
101 142 1728955 163 184 19863 134 207191 277108
8
JWH-015
Chemical name (2-Methyl-1-propyl-1H-indol-3-yl)-1-naphthalenylmethanone
Molecular formula C23H21NO
Molecular mass 327.16
Major GC/MS ions 327.3, 326.3, 310.3, 270.2, 200.2, 127.1
Ions used for analysis Target 327.3
Qualifi er-1 310.3
Qualifi er-2 270.2
Retention time 12.62 minutes
LOD Not yet established
Additional comments JWH-015 does not derivatize.
JWH-015 and JWH-073 are formula isomers. They have
similar fragmentation patterns with slight differences in
retention time.
Mass Spectrum:
Molecular Structure:
40 50 60 70 80 90 100 110 120 130 140 150 160 170 180 190 200 210 220 230 240 250 260 270 280 290 300 310 320 3300
100000
200000
300000
400000
500000
600000
700000
800000
900000
1000000
1100000
m/z-->
A ecnadnub 327
310
270
200127
155298
284254
24121311577 103 163142 226134 172148 18441 89 2782646351 190
9
JWH-018
Chemical name Naphthalen-1-yl-(1-pentylindol-3-yl)methanone
Molecular formula C24H23NO
Molecular mass 341.18
Major GC/MS ions 341.3, 324.3, 284.2, 270.2, 214.2, 127.1
Ions used for analysis Target 341.3
Qualifi er-1 324.3
Qualifi er-2 284.2
Retention time 13.05 minutes
LOD 0.02 mg/g
Additional comments JWH-018 will not derivatize
Mass Spectrum:
Molecular Structure:
40 50 60 70 80 90 100 110 120 130 140 150 160 170 180 190 200 210 220 230 240 250 260 270 280 290 300 310 320 330 340 3500
50000
100000
150000
200000
250000
300000
350000
400000
450000
500000
550000
600000
650000
700000
750000
800000
850000
900000
950000
1000000
1050000
m/z-->
A ecnadnub 341
284
214324
127
270144
155
254167 241
1164318610189 22677 31229855 20263 133 174
10
JWH-018 1-methylhexyl homolog
Chemical name (1-(Heptan-2-yl)-1H-indol-3-yl)(naphthalen-1-yl)methanone
(racemate)
Molecular formula C26
H27
NO
Molecular mass 369.50
Major GC/MS ions 298.1, 369.2, 127.0, 270.1, 299.1
Ions used for analysis Target 298
Qualifi er-1 369
Qualifi er-2 127
Retention time 12.94 minutes
LOD Not yet established
Mass Spectrum:
Molecular Structure:
30 40 50 60 70 80 90 100 110 120 130 140 150 160 170 180 190 200 210 220 230 240 250 260 270 280 290 300 310 320 330 340 350 360 370 3800
50000
100000
150000
200000
250000
300000
350000
400000
450000
500000
550000
600000
m/z-->
A ecnadnub298
369
127
270
155144242
25441 57
354116 2141701018977 284226 340189 312 32620067 179
11
JWH-018 6-methoxyindole analog
Chemical name (6-methoxy-1-pentyl-1H-indol-3-yl)(naphthalen-1-yl)-
methanone
Molecular formula C25
H25
NO2
Molecular mass 371.5
Major GC/MS ions 371.1, 372.1, 244.1, 370.1, 314.0
Ions used for analysis Target 371
Qualifi er-1 244
Qualifi er-2 314
Retention time 13.68 minutes
LOD Not yet established
Mass Spectrum:
Molecular Structure:
30 40 50 60 70 80 90 100 110 120 130 140 150 160 170 180 190 200 210 220 230 240 250 260 270 280 290 300 310 320 330 340 350 360 370 3800
50000
100000
150000
200000
250000
300000
350000
400000
450000
500000
550000
600000
650000
700000
750000
800000
850000
900000
950000
1000000
m/z-->
A ecnadnub371
244 314354
155127
300
174 257147 28421643 228 270202 34032876171177 102 1898955 13563 181109 293
12
JWH-019
Chemical name Naphthalen-1-yl-(1-pentylindol-3-yl)methanone
Molecular formula C25H25NO
Molecular mass 355.19
Major GC/MS ions 355.3, 338.3, 284.2, 228.2, 127.1, 155.1
Ions used for analysis Target 355.3
Qualifi er-1 284.2
Qualifi er-2 338.3
Retention time 13.37 minutes
LOD 0.02 mg/g
Additional comments JWH-019 will not derivatize. JWH-019 is a formula isomer of
JWH-122 and has similar fragmentation pattern with only a
slight difference in retention time.
Mass Spectrum:
Molecular Structure:
40 50 60 70 80 90 100 110 120 130 140 150 160 170 180 190 200 210 220 230 240 250 260 270 280 290 300 310 320 330 340 350 3600
50000
100000
150000
200000
250000
300000
350000
400000
450000
500000
550000
600000
650000
700000
750000
800000
850000
m/z-->
A ecnadnub 355
284
338228
127
155 270144
254167 241
43 116 200 215 32610177 89 177 298 31255 18713563
13
JWH-073
Chemical name naphthalen-1-yl-(1-butylindol-3-yl)meth
Molecular formula C23H21NO
Molecular mass 327.16
Major GC/MS ions 327.3, 310.3, 284.2, 200.2, 127.1, 144.1
Ions used for analysis Target 327.3
Qualifi er-1 310.3
Qualifi er-2 284.2
Retention time 12.75 minutes
LOD 0.02 mg/g
Additional comments JWH-073 does not derivatize. JWH-073 is a structural isomer
of JWH-015 with similar fragmentation and a slight difference
in retention time.
Mass Spectrum:
Molecular Structure:
40 50 60 70 80 90 100 110 120 130 140 150 160 170 180 190 200 210 220 230 240 250 260 270 280 290 300 310 320 3300
50000
100000
150000
200000
250000
300000
350000
400000
450000
500000
550000
600000
650000
700000
750000
800000
850000
900000
950000
m/z-->
A ecnadnub 327
284200
310
127
144270
155254167 241
11621389 1017741 226 29857 18963 13551 176 278264
14
JWH-073 2-methylbutyl homolog
Chemical name N-(2-methylbutyl)-3-(1-naphthoyl)-indole
Molecular formula C24
H23
NO
Molecular mass 341.5
Major GC/MS ions 284.0, 341.1, 127.0, 214.0, 285.0
Ions used for analysis Target 284
Qualifi er-1 341
Qualifi er-2 127
Retention time 12.65 minutes
LOD Not yet established
Mass Spectrum:
Molecular Structure:
30 40 50 60 70 80 90 100 110 120 130 140 150 160 170 180 190 200 210 220 230 240 250 260 270 280 290 300 310 320 330 340 3500
20000
40000
60000
80000
100000
120000
140000
160000
180000
200000
220000
240000
260000
280000
300000
320000
m/z-->
A ecnadnub284
341
127
214
155
270144
254 32443 167 241
11610277 89 22618655 63 312202 294176135 194
15
JWH-081
Chemical name 4-methoxynaphthalen- 1-yl- (1-pentylindol- 3-yl)methanone
Molecular formula C25H25NO2
Molecular mass 371.19
Major GC/MS ions 371.3, 354.3, 314.3, 370.3, 214.2, 185.1
Ions used for analysis Target 371.3
Qualifi er-1 354.3
Qualifi er-2 314.3
Retention time 13.99 minutes
LOD 0.02 mg/g
Additional comments JWH-081 will not derivatize
Mass Spectrum:
Molecular Structure:
40 50 60 70 80 90 100 110 120 130 140 150 160 170 180 190 200 210 220 230 240 250 260 270 280 290 300 310 320 330 340 350 360 370 3800
50000
100000
150000
200000
250000
300000
350000
400000
450000
500000
550000
600000
650000
m/z-->
A ecnadnub 371
354314
214
185
144197 300
285157114 241 270 34032822812743 25717110289 13677 46155 20763
16
JWH-098
Chemical name 4-methoxynaphthalen-1-yl-(1-pentyl-2-methylindol-3-yl)
methanone
Molecular formula C26
H27
NO2
Molecular mass 385.497
Major GC/MS ions 385.2, 370.2, 185.0, 384.2, 368.2
Ions used for analysis Target 385
Qualifi er-1 370
Qualifi er-2 185
Retention time 13.82 minutes
LOD Not yet established
Mass Spectrum:
Molecular Structure:
30 40 50 60 70 80 90 100 110 120 130 140 150 160 170 180 190 200 210 220 230 240 250 260 270 280 290 300 310 320 330 340 350 360 370 380 3900
10000
20000
30000
40000
50000
60000
70000
80000
90000
100000
110000
120000
130000
140000
150000
160000
170000
180000
190000
200000
210000
220000
m/z-->
A ecnadnub385
370
185
43328158 314300114
228142127
255 342171 241 270 356212202 285
1038855 7765
17
JWH-122
Chemical name 1-Pentyl-3-(4-methyl-1-naphthoyl)indole
Molecular formula C25H25NO
Molecular mass 355.19
Major GC/MS ions 355.3, 338.3, 298.2, 284.2, 214.2, 144.1
Ions used for analysis Target 355.3
Qualifi er-1 338.3
Qualifi er-2 298.2
Retention time 13.46 minutes
LOD not yet established
Additional comments JWH-122 will not derivatize. JWH-122 is a structural isomer
of JWH-019 with similar fragmentation and slight difference in
retention time.
Mass Spectrum:
Molecular Structure:
40 50 60 70 80 90 100 110 120 130 140 150 160 170 180 190 200 210 220 230 240 250 260 270 280 290 300 310 320 330 340 350 3600
100000
200000
300000
400000
500000
600000
700000
800000
900000
1000000
1100000
1200000
1300000
1400000
1500000
1600000
1700000
m/z-->
A ecnadnub 355
338298
214
284
144 169 181254 270115 241
43 226 326128 312102 53198 155 20255 77 18963 162
18
JWH-133
Chemical name (6aR,10aR)-3-(1,1-Dimethylbutyl)-6a,7,10,10a-tetrahydro
-6,6,9-trimethyl-6H-dibenzo[b,d]pyran
Molecular formula C22H32O
Molecular mass 312.24
Major GC/MS ions 312.3, 269.2, 229.2, 270.2, 201.2, 159.1
Ions used for analysis Target 312.3
Qualifi er-1 269.2
Qualifi er-2 229.2
Retention time 9.47 minutes
LOD 0.02 mg/g
Additional comments JWH-133 will not derivatize
Mass Spectrum:
Molecular Structure:
40 50 60 70 80 90 100 110 120 130 140 150 160 170 180 190 200 210 220 230 240 250 260 270 280 290 300 310 3200
100000
200000
300000
400000
500000
600000
700000
800000
900000
1000000
1100000
1200000
1300000
1400000
1500000
1600000
1700000
1800000
1900000
m/z-->
A ecnadnub 269
312
229
2011591851918543 171119 13510791 297257127 147 24421316577 14155 113 15369 17899 237
19
JWH-200
Chemical name (1-(2-morpholin-4-ylethyl)indol-3-yl)-naphthalen-1-
ylmethanone
Molecular formula C25H24N2O2
Molecular mass 384.18
Major GC/MS ions 100.0, 384.3, 127.1, 155.1, 56
Ions used for analysis Target 384.3
Qualifi er-1 100.0
Qualifi er-2 127.1
Retention time 14.38 minutes
LOD 0.05 mg/g
Additional comments JWH-200 will not derivatize
Mass Spectrum:
Molecular Structure:
30 40 50 60 70 80 90 100 110 120 130 140 150 160 170 180 190 200 210 220 230 240 250 260 270 280 290 300 310 320 330 340 350 360 370 380 3900
100000
200000
300000
400000
500000
600000
700000
800000
900000
1000000
1100000
1200000
1300000
1400000
1500000
1600000
1700000
1800000
1900000
2000000
m/z-->
A ecnadnub 100
384
12756 155
254 28470 24142 115 226213 270 339170143 29689 187 19978
20
JWH-201
Chemical name 2-(4-methoxyphenyl)-1-(1-pentyl-1H-indol-3-yl)-ethanone
Molecular formula C22
H25
NO2
Molecular mass 335.4
Major GC/MS ions 214.1, 144.0, 215.1, 121.0, 116.0
Ions used for analysis Target 214
Qualifi er-1 144
Qualifi er-2 335
Retention time 12.27 minutes
LOD Not yet established
Mass Spectrum:
Molecular Structure:
30 40 50 60 70 80 90 100 110 120 130 140 150 160 170 180 190 200 210 220 230 240 250 260 270 280 290 300 310 320 330 340 3500
50000
100000
150000
200000
250000
300000
350000
400000
450000
500000
550000
600000
650000
700000
750000
800000
850000
900000
m/z-->
A ecnadnub214
144
121
43 129 33578 89 10251 17015711463 204191184 27823471 221 603052177 31926216313795 268
21
JWH-203
Chemical name 2-(2-chlorophenyl)-1-(1-pentylindol-3-yl)ethanone
Molecular formula C21H22ClNO
Molecular mass 339.14
Major GC/MS ions 214.2, 144.1, 339.3
Ions used for analysis Target 214.2
Qualifi er-1 144.1
Qualifi er-2 339.3
Retention time 12.15 minutes
LOD not yet established
Additional comments JWH-203 will not derivatize
Mass Spectrum:
Molecular Structure:
40 50 60 70 80 90 100 110 120 130 140 150 160 170 180 190 200 210 220 230 240 250 260 270 280 290 300 310 320 330 3400
500000
1000000
1500000
2000000
2500000
3000000
3500000
4000000
4500000
5000000
5500000
6000000
6500000
m/z-->
A ecnadnub 214
144
339116 1298943 102 304282204157 17063 184 2467755 232177
22
JWH-210
Chemical name 4-ethylnaphthalen-1-yl-(1-pentylindol-3-yl)methanone
Molecular formula C26H27NO
Molecular mass 369.21
Major GC/MS ions 369.3, 352.3, 340.3, 312.3, 183.1, 195.1
Ions used for analysis Target 369.3
Qualifi er-1 352.3
Qualifi er-2 312.3
Retention time 13.72 minutes
LOD not yet established
Additional comments JWH-210 will not derivatize
Mass Spectrum:
Molecular Structure:
40 50 60 70 80 90 100 110 120 130 140 150 160 170 180 190 200 210 220 230 240 250 260 270 280 290 300 310 320 330 340 350 360 370 3800
50000
100000
150000
200000
250000
300000
350000
400000
450000
500000
m/z-->
A ecnadnub 369
352
312
340
195183 214 298270 283
153139 326253115 128 24143 22616777
23
JWH-250
Chemical name 2-(2-methoxyphenyl)-1-(1-pentylindol-3-yl)ethanone
Molecular formula C22H25NO2
Molecular mass 335.19
Major GC/MS ions 214.2, 144.1, 335.3
Ions used for analysis Target 214.2
Qualifi er-1 144.1
Qualifi er-2 335.3
Retention time 12.22 minutes
LOD 0.02 mg/g
Additional comments JWH-250 will not derivatize
Mass Spectrum:
Molecular Structure:
40 50 60 70 80 90 100 110 120 130 140 150 160 170 180 190 200 210 220 230 240 250 260 270 280 290 300 310 320 330 3400
200000
400000
600000
800000
1000000
1200000
1400000
1600000
1800000
2000000
2200000
2400000
2600000
2800000
3000000
3200000
m/z-->
A ecnadnub 214
144
335
11643 91 12910265 170 8727517855 204184 432191122 306246 913122771801
24
JWH-251
Chemical name 2-(2-methylphenyl)-1-(1-pentyl-1H-indol-3-yl)ethanone
Molecular formula C22H25NO
Molecular mass 319.19
Major GC/MS ions 214.2, 319.3, 144.1
Ions used for analysis Target 214.2
Qualifi er-1 319.3
Qualifi er-2 144.1
Retention time 11.92 minutes
LOD 0.02 mg/g
Additional comments JWH-251 will not derivatize
Mass Spectrum:
Molecular Structure:
40 50 60 70 80 90 100 110 120 130 140 150 160 170 180 190 200 210 220 230 240 250 260 270 280 290 300 310 3200
500000
1000000
1500000
2000000
2500000
3000000
3500000
4000000
4500000
m/z-->
A ecnadnub 214
144
31911643 1291058977 170157 26220418455 63 230 290220
25
JWH-302
Chemical name 2-(3-methoxyphenyl)-1-(1-pentyl-1H-indol-3-yl)-ethanone
Molecular formula C22
H25
NO2
Molecular mass 335.4
Major GC/MS ions 214.1, 144.0, 215.1, 116.0, 335
Ions used for analysis Target 214
Qualifi er-1 144
Qualifi er-2 335
Retention time 12.09 minutes
LOD Not yet established
Mass Spectrum:
Molecular Structure:
40 50 60 70 80 90 100 110 120 130 140 150 160 170 180 190 200 210 220 230 240 250 260 270 280 290 300 310 320 330 3400
50000
100000
150000
200000
250000
300000
350000
400000
450000
500000
550000
600000
650000
700000
750000
800000
850000
900000
950000
1000000
m/z-->
A ecnadnub214
144
11643 3351299178 10265 17055 157 204 236192 278184 222 264177 319603942108 292032123 136 150
26
JWH-398
Chemical name 1-pentyl-3-(4-chloro-1-naphthoyl)indole
Molecular formula C24H22ClNO
Molecular mass 375.14
Major GC/MS ions 375.3, 358.3, 318.3, 214.2, 189.1, 144.1
Ions used for analysis Target 375.3
Qualifi er-1 358.3
Qualifi er-2 318.3
Retention time 13.69 minutes
LOD 0.02 mg/g
Additional comments JWH-398 will not derivatize
Mass Spectrum:
Molecular Structure:
30 40 50 60 70 80 90 100 110 120 130 140 150 160 170 180 190 200 210 220 230 240 250 260 270 280 290 300 310 320 330 340 350 360 370 3800
20000
40000
60000
80000
100000
120000
140000
160000
180000
200000
220000
240000
260000
280000
300000
320000
340000
360000
380000
400000
420000
m/z—>
A ecnadnub 375
318214
358
144
189
161304
126254 269201 340241
2901164328310289 226175 332 34727675 15355 13563
27
HU-210Chemical name (6aR,10aR)- 9-(Hydroxymethyl)- 6,6-dimethyl-
3-(2-methyloctan-2-yl)- 6a,7,10,10a-tetrahydrobenzo [c]
chromen- 1-ol
Molecular formula C25H38O3
Molecular mass 386.28
Major GC/MS ions 386.3, 302.3, 287.2, 316.3, 330.3, 344.3
Ions used for analysis Target 386.3
Qualifi er-1 302.3
Qualifi er-2 287.2
Retention time 12.56 minutes
LOD 0.02 mg/g
Additional comments Forms di-TMS derivative with BSTFA
Mass Spectrum:
Molecular Structure:
30 40 50 60 70 80 90 100 110 120 130 140 150 160 170 180 190 200 210 220 230 240 250 260 270 280 290 300 310 320 330 340 350 360 370 380 3900
100000
200000
300000
400000
500000
600000
700000
800000
900000
1000000
1100000
1200000
1300000
m/z-->
A ecnadnub 302
386
287
316330
344269241217201 24918743 164 227 35391 133 14969 17570155 119 36879 141 257209 277
28
HU-210 di-TMS derivative
Chemical name (6aR,10aR)- 9-(Hydroxymethyl)- 6,6-dimethyl-
3-(2-methyloctan-2-yl)- 6a,7,10,10a-tetrahydrobenzo [c]
chromen- 1-ol-di-TMS derivative
Molecular formula C31H54O3Si2
Molecular mass 530.36
Major GC/MS ions 530.5, 446.4, 531.5, 359.3, 460.4, 474.4
Ions used for analysis Target 530.5
Qualifi er-1 446.4
Qualifi er-2 359.3
Retention time 8.35 minutes
LOD 0.004 mg/g
Additional comments HU-210 is indistinguishable from HU-211.
Mass Spectrum:
Molecular Structure:
60 80 100 120 140 160 180 200 220 240 260 280 300 320 340 360 380 400 420 440 460 480 500 520 5400
100000
200000
300000
400000
500000
600000
700000
800000
900000
1000000
1100000
1200000
1300000
m/z-->
A ecnadnub 446
53073
359
460 474216
273 488431321259 515133 34123691 105 397289299147 373 387195 247119 179165 418
29
HU-211
Chemical name (6aS,10aS)-9-(Hydroxymethyl)- 6,6-dimethyl-
3-(2-methyloctan-2-yl)- 6a,7,10,10a-tetrahydrobenzo [c]
chromen-1-ol
Molecular formula C25H38O3
Molecular mass 386.28
Major GC/MS ions 386.3, 302.3, 287.2, 316.3, 330.3, 344.3
Ions used for analysis Target 386.3
Qualifi er-1 302.3
Qualifi er-2 287.2
Retention time 12.56 minutes
LOD 0.02 mg/g
Additional comments Forms di-TMS derivative with BSTFA
HU-211 is indistinguishable from HU-210
Mass Spectrum:
Molecular Structure:
30 40 50 60 70 80 90 100 110 120 130 140 150 160 170 180 190 200 210 220 230 240 250 260 270 280 290 300 310 320 330 340 350 360 370 380 3900
50000
100000
150000
200000
250000
300000
350000
400000
450000
m/z-->
A ecnadnub 302
386
287
316330
34426924121743 201 24918716491 227 35355 69 133119107 17514979 368
141 257209 277
30
HU-211-di-TMS derivative
Chemical name (6aS,10aS)-9-(Hydroxymethyl)- 6,6-dimethyl-
3-(2-methyloctan-2-yl)- 6a,7,10,10a-tetrahydrobenzo [c]
chromen-1-ol-di-TMS derivative
Molecular formula C31H54O3Si2
Molecular mass 530.36
Major GC/MS ions 530.5, 446.4, 531.5, 359.3, 460.4, 474.4
Ions used for analysis Target 530.5
Qualifi er-1 446.4
Qualifi er-2 359.3
Retention time 8.35 minutes
LOD 0.004 mg/g
Additional comments HU-211 is indistinguishable from HU-210
Mass Spectrum:
Molecular Structure:
40 60 80 100 120 140 160 180 200 220 240 260 280 300 320 340 360 380 400 420 440 460 480 500 520 540 560 580 6000
50000
100000
150000
200000
250000
300000
350000
400000
450000
500000
550000
600000
650000
700000
750000
800000
850000
900000
950000
1000000
m/z-->
A ecnadnub 446
73
530
359
460 474216
488273259 431321237 341133 51557 147 289 39791 105 163 195 373119 179 418385309
31
HU-308
Chemical name [(1R,2R,5R)-2-[2,6-dimethoxy-4-(2-methyloctan-2-yl)phenyl]-
7,7-dimethyl-4-bicyclo[3.1.1]hept-3-enyl] methanol
Molecular formula C27H42O3
Molecular mass 414.31
Major GC/MS ions 277.2, 318.3, 353.3, 414.4, 293.2, 383.3
Ions used for analysis Target 414.4
Qualifi er-1 318.3
Qualifi er-2 353.3
Retention time 11.69 minutes
LOD Not yet established
Additional comments Forms mono-TMS derivative with BSTFA
Mass Spectrum:
Molecular Structure:
30 40 50 60 70 80 90 100 110 120 130 140 150 160 170 180 190 200 210 220 230 240 250 260 270 280 290 300 310 320 330 340 350 360 370 380 390 400 410 4200
50000
100000
150000
200000
250000
300000
350000
400000
450000
500000
m/z-->
A ecnadnub 318
353
277
414
293
383233
341215180 39671 11943 36591 165 191 205 25557 151105 285265 30513579 241 329
32
HU-308-mono-TMS derivative
Chemical name [(1R,2R,5R)-2-[2,6-dimethoxy-4-(2-methyloctan-2-yl)phenyl]-
7,7-dimethyl-4-bicyclo[3.1.1]hept-3-enyl] methanol-mono-
TMS derivative
Molecular formula C30H50O3Si
Molecular mass 486.35
Major GC/MS ions 277.2, 318.3, 353.3, 383.3, 396.3, 486.4
Ions used for analysis Target 486.4
Qualifi er-1 396.3
Qualifi er-2 353.3
Retention time 8.20 minutes
LOD Not yet established
Mass Spectrum:
Molecular Structure:
40 50 60 70 80 90 100 110 120 130 140 150 160 170 180 190 200 210 220 230 240 250 260 270 280 290 300 310 320 330 340 350 360 370 380 390 400 410 420 430 440 450 460 470 480 490 5000
20000
40000
60000
80000
100000
120000
140000
160000
180000
200000
220000
240000
260000
280000
300000
320000
340000
360000
380000
400000
m/z-->
A ecnadnub 35373
277
396318
383
157103486365
91 131119 41857 239179
209 443191 471291227 255141333265167 305 430
33
HU-331
Chemical name 3-hydroxy-2-[(1R,6R)-3-methyl-6-(1-methylethenyl)-2-
cyclohexen-1-yl]-5-pentyl-2,5-cyclohexadiene-1,4-dione
Molecular formula C21H28O3
Molecular mass 328.203
Major GC/MS ions 313.3, 311.3, 328.3, 247.2, 237.2, 204.2
Ions used for analysis Target 328.3
Qualifi er-1 313.3
Qualifi er-2 247.2
Retention time 9.84 minutes
LOD Not yet established
Additional comments Forms tri-TMS derivative with BSTFA
Mass Spectrum:
Molecular Structure:
40 50 60 70 80 90 100 110 120 130 140 150 160 170 180 190 200 210 220 230 240 250 260 270 280 290 300 310 320 3300
5000
10000
15000
20000
25000
30000
35000
40000
45000
m/z-->
A ecnadnub 313
247
237
204328
220
26091
191109 175 28716179 11941 27322967 211128 15255145135 296183103 169 198
34
HU-331-tri-TMS derivative
Chemical name 3-hydroxy-2-[(1R,6R)-3-methyl-6-(1-methylethenyl)-2-
cyclohexen-1-yl]-5-pentyl-2,5-cyclohexadiene-1,4-dione-tri-
TMS derivative
Molecular formula C30H52O3Si3
Molecular mass 544.32
Major GC/MS ions 455.4, 384.3, 529.5, 544.4
Ions used for analysis Target 455.4
Qualifi er-1 384.3
Qualifi er-2 544.5
Retention time 7.18 minutes
LOD Not yet established
Mass Spectrum:
Molecular Structure:
40 60 80 100 120 140 160 180 200 220 240 260 280 300 320 340 360 380 400 420 440 460 480 500 520 5400
10000
20000
30000
40000
50000
60000
70000
80000
90000
100000
110000
120000
130000
140000
150000
160000
170000
m/z-->
A ecnadnub 455
384
544529
370 411 477295 39654 519186 434100
35
CB-25
Chemical name N-cyclopropyl-11-(3-hydroxy-5-pentylphenoxy)-undecanamide
Molecular formula C25H41NO3
Molecular mass 403.31
Major GC/MS ions 403.4, 124.1, 57.0, 181.1, 347.3, 374.3
Ions used for analysis Target 403.4
Qualifi er-1 124.1
Qualifi er-2 57.0
Retention time 13.88 minutes
LOD not yet established
Additional comments Forms di-TMS derivative with BSTFA
Mass Spectrum:
Molecular Structure:
30 40 50 60 70 80 90 100 110 120 130 140 150 160 170 180 190 200 210 220 230 240 250 260 270 280 290 300 310 320 330 340 350 360 370 380 390 400 4100
50000
100000
150000
200000
250000
300000
350000
400000
450000
500000
m/z-->
A ecnadnub 403
124
57
181
224 347
374290
69 138 36014941 318
262 3048310799
163 202 332193 247 276 38591 233210115
36
CB-25-di-TMS derivative
Chemical name N-cyclopropyl-11-(3-hydroxy-5-pentylphenoxy)-undecanamide
di-TMS derivative
Molecular formula C31H57NO3Si2
Molecular mass 547.39
Major GC/MS ions 547, 532, 504, 156, 184, 196
Ions used for analysis Target 547.5
Qualifi er-1 532.5
Qualifi er-2 504.5
Retention time 9.22 minutes
LOD not yet established
Mass Spectrum:
Molecular Structure:
40 60 80 100 120 140 160 180 200 220 240 260 280 300 320 340 360 380 400 420 440 460 480 500 520 540 560 5800
50000
100000
150000
200000
250000
300000
350000
400000
450000
500000
550000
600000
650000
700000
750000
800000
850000
900000
950000
m/z-->
A ecnadnub 73156
184
171196
547296
116 532504
55128
282 407 420240 325212 226 253 268144 491476 518100392 448364337
37
CB-52
Chemical name N-cyclopropyl-11-(2-hexyl-5-hydroxyphenoxy)-undecanamide
Molecular formula C26H43NO3
Molecular mass 417.32
Major GC/MS ions 417.4, 123.1, 261.2, 346.3, 360.3, 194.1
Ions used for analysis Target 417.4
Qualifi er-1 261.2
Qualifi er-2 346.3
Retention time 13.88 minutes
LOD not yet established
Additional comments Forms di-TMS derivative with BSTFA
Mass Spectrum:
Molecular Structure:
30 40 50 60 70 80 90 100 110 120 130 140 150 160 170 180 190 200 210 220 230 240 250 260 270 280 290 300 310 320 330 340 350 360 370 380 390 400 410 4200
50000
100000
150000
200000
250000
300000
350000
400000
450000
500000
550000
600000
650000
m/z-->
A ecnadnub 123
417
261
346
360
194
58
149137 16369 289 33241 22481 95 107388177 374207 399233 318247 301275216115
38
CB-52-di-TMS derivative
Chemical name N-cyclopropyl-11-(2-hexyl-5-hydroxyphenoxy)-undecanamide
di-TMS derivative
Molecular formula C32H59NO3Si2
Molecular mass 561.4
Major GC/MS ions 561.5, 546.5, 505.5, 296.2, 195.1, 156.1
Ions used for analysis Target 561.5
Qualifi er-1 546.5
Qualifi er-2 505.5
Retention time 9.31 minutes
LOD not yet established
Mass Spectrum:
Molecular Structure:
40 60 80 100 120 140 160 180 200 220 240 260 280 300 320 340 360 380 400 420 440 460 480 500 520 540 5600
50000
100000
150000
200000
250000
300000
350000
400000
450000
500000
550000
600000
650000
700000
750000
800000
850000
900000
950000
m/z-->
A ecnadnub 73
156
195
184
171
296561
54650555 116 128 227
490282240 448209 267254 518100 337144 532312 421 476434390
39
CP47,497 (C7 analog)
Chemical name 2-[(1R,3S)-3-hydroxycyclohexyl]- 5-(2-methyloctan-2-yl)
phenol
Molecular formula C21H34O2
Molecular mass 318.26
Major GC/MS ions 215.2, 233.2, 318.3, 300.3
Ions used for analysis Target 318.3
Qualifi er-1 215.2
Qualifi er-2 233.2
Retention time 10.96 minutes
LOD 0.01 mg/g
Additional comments Forms di-TMS derivative with BSTFA
Compound shares some common ions with the C8 analog.
Mass Spectrum:
Molecular Structure:
40 50 60 70 80 90 100 110 120 130 140 150 160 170 180 190 200 210 220 230 240 250 260 270 280 290 300 310 3200
50000
100000
150000
200000
250000
300000
350000
400000
450000
500000
550000
600000
650000
700000
750000
800000
850000
900000
950000
1000000
1050000
1100000
m/z-->
A ecnadnub 215
233
318
300
81 161147 246107 173 18743 135
57 91 20112171 115 128 257 2851419765 27215551 181
40
CP47,497 (C7 analog)-di-TMS derivative
Chemical name 2-[(1R,3S)-3-hydroxycyclohexyl]- 5-(2-methyloctan-2-yl)
phenol-di-TMS derivative
Molecular formula C27H50O2Si2
Molecular mass 462.33
Major GC/MS ions 377, 462, 378, 463
Ions used for analysis Target 377.3
Qualifi er-1 462.4
Qualifi er-2 378.3
Retention time 7.43 minutes
LOD 0.002 mg/g
Additional comments Compound shares some common ions with the C8 analog.
Mass Spectrum:
Molecular Structure:
30 40 50 60 70 80 90 100 110 120 130 140 150 160 170 180 190 200 210 220 230 240 250 260 270 280 290 300 310 320 330 340 350 360 370 380 390 400 410 420 430 440 450 460 4700
50000
100000
150000
200000
250000
300000
350000
400000
450000
500000
550000
600000
650000
m/z-->
A ecnadnub 377
73
462
28743
2335720514785 219129 305101 245179 419191 447116 259169 363273 349157 319 335 391 406
41
CP47,497 (C8 analog)
Chemical name 2-[(1R,3S)-3-hydroxycyclohexyl]- 5-(2-methylnonan-2-yl)
phenol
Molecular formula C22H36O2
Molecular mass 332.27
Major GC/MS ions 215.2, 233.2, 314.3, 332.3
Ions used for analysis Target 332.3
Qualifi er-1 215.2
Qualifi er-2 233.2
Retention time 11.35 minutes
LOD 0.02 mg/g
Additional comments Forms di-TMS derivative with BSTFA
Compound shares some common ions with the C7 analog.
Mass Spectrum:
Molecular Structure:
40 50 60 70 80 90 100 110 120 130 140 150 160 170 180 190 200 210 220 230 240 250 260 270 280 290 300 310 320 330 3400
50000
100000
150000
200000
250000
300000
350000
400000
450000
500000
550000
600000
650000
700000
750000
800000
850000
900000
950000
1000000
1050000
m/z-->
A ecnadnub 215
233
332
314
81 161147107 26018717313543 57 2011219171 128 299244 271 28615599
42
CP47,497 (C8 analog)-di-TMS derivative
Chemical name 2-[(1R,3S)-3-hydroxycyclohexyl]- 5-(2-methylnonan-2-yl)
phenol-di-TMS derivative
Molecular formula C28H52O2Si2
Molecular mass 476.35
Major GC/MS ions 377.3, 476.4, 378.3, 477.4
Ions used for analysis Target 476.4
Qualifi er-1 377.3
Qualifi er-2 378.3
Retention time 7.67 minutes
LOD 0.004 mg/g
Additional comments Compound shares some common ions with the C7 analog.
Mass Spectrum:
Molecular Structure:
30 40 50 60 70 80 90 100 110 120 130 140 150 160 170 180 190 200 210 220 230 240 250 260 270 280 290 300 310 320 330 340 350 360 370 380 390 400 410 420 430 440 450 460 470 480 4900
50000
100000
150000
200000
250000
300000
350000
400000
450000
500000
550000
600000
650000
700000
750000
m/z-->
A ecnadnub 377
73
476
28743 57233
20514785 219129 542101 177 191 433303 461319259116 161 363273 393349333 404 420
43
CP55,940
Chemical name 2-[(1R,2R,5R)-5-hydroxy-2-(3-hydroxypropyl) cyclohexyl]-5-
(2-methyloctan-2-yl)phenol
Molecular formula C24H40O3
Molecular mass 376.3
Major GC/MS ions 273.2, 147.1, 376.3, 121.1, 304.3, 358.3
Ions used for analysis Target 376.3
Qualifi er-1 273.2
Qualifi er-2 358.3
Retention time 12.43 minutes
LOD 0.05 mg/g
Additional comments Forms tri-TMS derivative with BSTFA
Mass Spectrum:
Molecular Structure:
30 40 50 60 70 80 90 100 110 120 130 140 150 160 170 180 190 200 210 220 230 240 250 260 270 280 290 300 310 320 330 340 350 360 370 3800
10000
20000
30000
40000
50000
60000
70000
80000
90000
100000
110000
120000
m/z-->
A ecnadnub 273
147
376
121
161 187304
213358135
23343
71 25555 10793 29179 173
199 246220312154 343114100 283 330
44
CP55,940-tri-TMS derivative
Chemical name 2-[(1R,2R,5R)-5-hydroxy-2-(3-hydroxypropyl) cyclohexyl]-5-
(2-methyloctan-2-yl)phenol-tri-TMS derivative
Molecular formula C33H64O3Si3
Molecular mass 592.41
Major GC/MS ions 593.5, 419.4, 327.3, 305.3, 219.2, 121.1
Ions used for analysis Target 593.5
Qualifi er-1 419.4
Qualifi er-2 327.3
Retention time 8.27 minutes
LOD 0.01 mg/g
Mass Spectrum:
Molecular Structure:
60 80 100 120 140 160 180 200 220 240 260 280 300 320 340 360 380 400 420 440 460 480 500 520 540 560 580 6000
100000
200000
300000
400000
500000
600000
700000
800000
900000
1000000
1100000
1200000
1300000
1400000
1500000
m/z-->
A ecnadnub 73
593
327
305
219419
121147
233285
205
25993 245185 345133 577271 386361 465169105 50261 372 487434398
45
AM-694
Chemical name 1-[(5-fl uoropentyl)-1H-indol-3-yl]-(2-iodophenyl)methanone
Molecular formula C20H19FINO
Molecular mass 435.05
Major GC/MS ions 435.3, 232.1, 220.1, 360.2
Ions used for analysis Target 435.3
Qualifi er-1 232.1
Qualifi er-2 220.1
Retention time 12.66 minutes
LOD not yet established
Additional comments Does not form derivative
Mass Spectrum:
Molecular Structure:
30 40 50 60 70 80 90 100 110 120 130 140 150 160 170 180 190 200 210 220 230 240 250 260 270 280 290 300 310 320 330 340 350 360 370 380 390 400 410 420 430 4400
200000
400000
600000
800000
1000000
1200000
1400000
1600000
1800000
2000000
2200000
2400000
m/z-->
A ecnadnub 435
232
220
360
204144308
164 190116 13076 176 25610241 33189 246 3186350 415288154
46
AM-2201
Chemical name 1-[(5-fl uoropentyl)-1H-indol-3-yl]-(naphthalen-1-yl)methanone
Molecular formula C24H22FNO
Molecular mass 359.17
Major GC/MS ions 127.1, 232.2, 284.2, 359.3
Ions used for analysis Target 359.3
Qualifi er-1 232.2
Qualifi er-2 284.2
Retention time 13.41 minutes
LOD not yet established
Additional comments Does not form derivative
AM-2201 is the fl uoro-analog of JWH-018
Mass Spectrum:
Molecular Structure:
40 50 60 70 80 90 100 110 120 130 140 150 160 170 180 190 200 210 220 230 240 250 260 270 280 290 300 310 320 330 340 350 360 3700
50000
100000
150000
200000
250000
300000
350000
400000
450000
500000
550000
600000
650000
700000
m/z-->
A ecnadnub 359
232
284 342
127
144 270
155 254167241116
41 21389 10277 330179 204 29822569 188 3225951 135 310
47
RCS-4
Chemical name ((4-methoxyphenyl)(1-pentyl-1H-indol-3-yl)methanone)
Molecular formula C21H23NO2
Molecular mass 321.17
Major GC/MS ions 321.3, 264.2, 214.2, 135.1, 144.1, 186.1
Ions used for analysis Target 321.3
Qualifi er-1 264.2
Qualifi er-2 214.2
Retention time 12.43 minutes
LOD not yet established
Additional comments RCS-4 will not derivatize
Mass Spectrum:
Molecular Structure:
40 50 60 70 80 90 100 110 120 130 140 150 160 170 180 190 200 210 220 230 240 250 260 270 280 290 300 310 320 3300
100000
200000
300000
400000
500000
600000
700000
800000
900000
1000000
1100000
1200000
1300000
1400000
1500000
1600000
m/z-->
A ecnadnub 321
264
214135
144186
118 222 30677 92 29010743 129 152 250 278192178170 207 23663 101 16351
48
RCS-8
Chemical name 1-(1-(2-cyclohexylethyl)-1H-indol-3-yl)-2-(2-methoxyphenyl)
ethanone
Molecular formula C25H29NO2
Molecular mass 375.22
Major GC/MS ions 254.2, 144.1, 375.3
Ions used for analysis Target 254.2
Qualifi er-1 144.1
Qualifi er-2 375.3
Retention time 13.66 minutes
LOD not yet established
Additional comments RCS-8 will not derivatize
Mass Spectrum:
Molecular Structure:
40 50 60 70 80 90 100 110 120 130 140 150 160 170 180 190 200 210 220 230 240 250 260 270 280 290 300 310 320 330 340 350 360 370 3800
200000
400000
600000
800000
1000000
1200000
1400000
1600000
1800000
2000000
2200000
m/z-->
A ecnadnub 254
144
37555 69 12941 91 158116102 27817078 207 218178 234198 227
49
WIN55,212-2
Chemical name (R)-(+)-[2,3-Dihydro-5-methyl-
3-(4-morpholinylmethyl)pyrrolo
[1,2,3-de]-1,4-benzoxazin-6-yl]-
1-napthalenylmethanone
Molecular formula C27H26N2O3
Molecular mass 426.19
Major GC/MS ions 100.0, 127.1, 155.1, 326.3, 426.4, 56.0
Ions used for analysis Target 100.0
Qualifi er-1 426.4
Qualifi er-2 127.1
Retention time 15.38 minutes
LOD 0.12 mg/g
Additional comments WIN55,212-2 will not derivatize. WIN55,212-2 and
WIN55,212-3 are isomers and are indistinguishable.
Mass Spectrum:
Molecular Structure:
30 40 50 60 70 80 90 100 110 120 130 140 150 160 170 180 190 200 210 220 230 240 250 260 270 280 290 300 310 320 330 340 350 360 370 380 390 400 410 420 4300
100000
200000
300000
400000
500000
600000
700000
800000
900000
1000000
1100000
m/z-->
A ecnadnub 100
426
12756 155
3267042 254 298115 170 382202 241226 270 310142 21389 340184
50
WIN55,212-3
Chemical name [(3S)-2,3-Dihydro-5-methyl-3-(4-morpholinylmethyl)
pyrrolo[1,2,3-de]-1,4-benzoxazin-6-yl]-1-naphthalenyl-
methanone
Molecular formula C27H26N2O3
Molecular mass 426.19
Major GC/MS ions 100.0, 127.1, 155.1, 326.3, 426.4, 56.0
Ions used for analysis Target 100.0
Qualifi er-1 426.4
Qualifi er-2 127.1
Retention time 15.38 minutes
LOD 0.12 mg/g
Additional comments WIN55,212-2 will not derivatize. WIN55,212-2 and
WIN55,212-3 are isomers and are indistinguishable.
Mass Spectrum:
Molecular Structure:
30 40 50 60 70 80 90 100 110 120 130 140 150 160 170 180 190 200 210 220 230 240 250 260 270 280 290 300 310 320 330 340 350 360 370 380 390 400 410 420 4300
100000
200000
300000
400000
500000
600000
700000
800000
900000
1000000
1100000
1200000
1300000
1400000
1500000
1600000
1700000
1800000
1900000
2000000
2100000
2200000
m/z-->
A ecnadnub 100
426
12715556
3267042 170 254 298281241722511 270202142 310189 213 338 35589
For more information
Learn more:
www.agilent.com/lifesciences/dissolution
Buy online:
www.agilent.com/chem/store
Dissolution hotline:
U.S. and Canada
Europe
Asia Pacifi c
For Forensic Use.
This information is subject to change without notice.
© Agilent Technologies, Inc. 2012, 2016Printed in the USA March 24, 20165990-7967EN
Top Related