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1. Simultaneous quantification of 20 synthetic cannabinoids and 21 metabolites, and semi-quantification of 12 alkyl hydroxy metabolites in human urine by liquid chromatography–tandem mass spectrometry A

Author:
Huestis, Marilyn A.,   et al.   ; Scheidweiler, Karl B.;     Show all 2 Author
Source:
Journal of chromatography 2014 v.1327 pp. 105-117
ISSN:
0021-9673
Subject:
beta-glucuronidase; biphenyl; cannabinoids; formic acid; humans; ionization; isomers; liquid chromatography; metabolites; monitoring; spectrometers; tandem mass spectrometry; toxicity testing; urine
Abstract:
... Clandestine laboratories constantly produce new synthetic cannabinoids to circumvent legislative efforts, complicating toxicological analysis. No extensive synthetic cannabinoid quantitative urinary methods are reported in the literature. We developed and validated a liquid chromatography–tandem mass spectrometric (LC–MS/MS) method for simultaneously quantifying JWH-018, JWH-019, JWH-073, JWH-081, ...
DOI:
10.1016/j.chroma.2013.12.067

2. Simultaneous determination of 40 novel psychoactive stimulants in urine by liquid chromatography–high resolution mass spectrometry and library matching A

Author:
Huestis, Marilyn A.,   et al.   ; Concheiro, Marta; Castaneto, Marisol; Kronstrand, Robert;     Show all 4 Authors
Source:
Journal of chromatography 2015 v.1397 pp. 32-42
ISSN:
0021-9673
Subject:
acetonitrile; amphetamines; blood; cation exchange; forensic sciences; formic acid; ions; laws and regulations; liquid chromatography; liquids; markets; mass spectrometry; medicinal properties; metabolites; piperazines; poisoning; psychotropic agents; urine
Abstract:
... The emergence of novel psychoactive substances is an ongoing challenge for analytical toxicologists. Different analogs are continuously introduced in the market to circumvent legislation and to enhance their pharmacological activity. Although detection of drugs in blood indicates recent exposure and link intoxication to the causative agent, urine is still the most preferred testing matrix in clini ...
DOI:
10.1016/j.chroma.2015.04.002

3. Nontargeted SWATH acquisition for identifying 47 synthetic cannabinoid metabolites in human urine by liquid chromatography-high-resolution tandem mass spectrometry

Author:
Huestis, Marilyn A.,   et al.   ; Scheidweiler, Karl B.; Jarvis, Michael J. Y.;     Show all 3 Authors
Source:
Analytical and bioanalytical chemistry 2015 v.407 no.3 pp. 883-897
ISSN:
1618-2642
Subject:
acetonitrile; biphenyl; cannabinoids; detection limit; formic acid; humans; liquid chromatography; metabolites; spectrometers; tandem mass spectrometry; urine
Abstract:
... Clandestine laboratories constantly produce new synthetic cannabinoids to circumvent legislative scheduling efforts, challenging and complicating toxicological analysis. Sundstrom et al. (Anal Bioanal Chem 405(26):8463–8474, [9]) and Kronstrand et al. (Anal Bioanal Chem 406(15):3599–3609, [10]) published nontargeted liquid chromatography, high-resolution, quadrupole/time-of-flight mass spectrometr ...
DOI:
10.1007/s00216-014-8118-8

4. Simultaneous quantification of 11 cannabinoids and metabolites in human urine by liquid chromatography tandem mass spectrometry using WAX-S tips

Author:
Huestis, Marilyn A.,   et al.   ; Andersson, Maria; Scheidweiler, Karl B.; Sempio, Cristina; Barnes, Allan J.;     Show all 5 Authors
Source:
Analytical and bioanalytical chemistry 2016 v.408 no.23 pp. 6461-6471
ISSN:
1618-2642
Subject:
acetonitrile; ammonium acetate; cannabidiol; drugs; forensic sciences; guidelines; humans; ionization; liquid chromatography; metabolites; methanol; monitoring; tandem mass spectrometry; toxicology; urine
Abstract:
... A comprehensive cannabinoid urine quantification method may improve clinical and forensic result interpretation and is necessary to support our clinical research. A liquid chromatography tandem mass spectrometry quantification method for ∆⁹-tetrahydrocannabinol (THC), 11-hydroxy-THC (11-OH-THC), 11-nor-9-carboxy-THC (THCCOOH), ∆⁹-tetrahydrocannabinolic acid (THCAA), cannabinol (CBN), cannabidiol ( ...
DOI:
10.1007/s00216-016-9765-8
PubMed:
27422645
PubMed Central:
PMC5010516

5. Quantification of cannabinoids and their free and glucuronide metabolites in whole blood by disposable pipette extraction and liquid chromatography-tandem mass spectrometry

Author:
Huestis, Marilyn A.,   et al.   ; Scheidweiler, Karl B.; Newmeyer, Matthew N.; Barnes, Allan J.;     Show all 4 Authors
Source:
Journal of chromatography 2016 v.1453 pp. 34-42
ISSN:
0021-9673
Subject:
blood; cannabidiol; drugs; excretion; ionization; liquid chromatography; metabolites; monitoring; quality control; tandem mass spectrometry; tetrahydrocannabinol
Abstract:
... Identifying recent cannabis intake is confounded by prolonged cannabinoid excretion in chronic frequent cannabis users. We previously observed detection times ≤2.1h for cannabidiol (CBD) and cannabinol (CBN) and Δ9-tetrahydrocannabinol (THC)-glucuronide in whole blood after smoking, suggesting their applicability for identifying recent intake. However, whole blood collection may not occur for up t ...
DOI:
10.1016/j.chroma.2016.05.024
PubMed:
27236483
PubMed Central:
PMC4955402

6. Quantification of [1-(5-fluoropentyl)-1H-indol-3-yl](naphthalene-1-yl)methanone (AM-2201) and 13 metabolites in human and rat plasma by liquid chromatography-tandem mass spectrometry

Author:
Huestis, Marilyn A.,   et al.   ; Carlier, Jeremy; Scheidweiler, Karl B.; Wohlfarth, Ariane; Salmeron, Bonita D.; Baumann, Michael H.;     Show all 6 Authors
Source:
Journal of chromatography 2016 v.1451 pp. 97-106
ISSN:
0021-9673
Subject:
ambient temperature; biphenyl; cannabinoids; enzymatic hydrolysis; forensic sciences; formic acid; freeze-thaw cycles; humans; liquid chromatography; metabolites; pharmacodynamics; pharmacokinetics; rats; tandem mass spectrometry
Abstract:
... AM-2201 is a popular synthetic cannabinoid first synthesized in 2000. AM-2201 pharmacokinetic and pharmacodynamic data are scarce, requiring further investigation. We developed a sensitive method for quantifying AM-2201 and 13 metabolites in plasma to provide a tool to further metabolic, pharmacokinetic and pharmacodynamic studies. Analysis was performed by liquid chromatography-tandem mass spectr ...
DOI:
10.1016/j.chroma.2016.05.020
PubMed:
27208987
PubMed Central:
PMC4886661

7. Simultaneous quantification of buprenorphine, naloxone and phase I and II metabolites in plasma and breastmilk by liquid chromatography–tandem mass spectrometry

Author:
Huestis, Marilyn A.,   et al.   ; Swortwood, Madeleine J.; Scheidweiler, Karl B.; Barnes, Allan J.; Jansson, Lauren M.;     Show all 5 Authors
Source:
Journal of chromatography 2016 v.1446 pp. 70-77
ISSN:
0021-9673
Subject:
ambient temperature; breast feeding; buprenorphine; fetal death; fetal development; guidelines; liquid chromatography; metabolites; methadone; mothers; naloxone; pregnancy; solid phase extraction; tandem mass spectrometry; therapeutics
Abstract:
... Opioid abuse during pregnancy is associated with fetal growth restriction, placental abruption, preterm labor, fetal death, and Neonatal Abstinence Syndrome. Current guidelines for medication-assisted opioid addiction treatment during pregnancy are methadone or buprenorphine monotherapy. Buprenorphine/naloxone combination therapy (Suboxone®) has not been thoroughly evaluated during pregnancy and i ...
DOI:
10.1016/j.chroma.2016.03.076

8. Oral fluid cocaine and benzoylecgonine concentrations following controlled intravenous cocaine administration

Author:
Huestis, Marilyn A.,   et al.   ; Ellefsen, Kayla N.; Concheiro, Marta; Pirard, Sandrine; Gorelick, David A.;     Show all 5 Authors
Source:
Forensic science international 2016 v.260 pp. 95-101
ISSN:
0379-0738
Subject:
adults; buffers; cocaine; data collection; drugs; forensic sciences; half life; intravenous injection; metabolites; monitoring; pharmacokinetics; saliva
Abstract:
... Limited oral fluid (OF) pharmacokinetic data collected with commercially available collection devices after controlled cocaine administration hinder OF result interpretations. Ten cocaine-using adults provided OF, collected with Oral-Eze® (OE) and StatSure Saliva Sampler™ (SS) devices, an hour prior to and up to 69h after 25mg intravenous (IV) cocaine administration. Cocaine and benzoylecgonine (B ...
DOI:
10.1016/j.forsciint.2016.01.013
PubMed:
26851651
PubMed Central:
PMC4761476

9. Rapid quantitative chiral amphetamines liquid chromatography–tandem mass spectrometry: Method in plasma and oral fluid with a cost-effective chiral derivatizing reagent A

Author:
Huestis, Marilyn A.,   et al.   ; Newmeyer, Matthew N.; Concheiro, Marta;     Show all 3 Authors
Source:
Journal of chromatography 2014 v.1358 pp. 68-74
ISSN:
0021-9673
Subject:
ammonium hydroxide; amphetamine; cations; cost effectiveness; derivatization; enantiomers; liquid chromatography; metabolites; methamphetamines; methanol; solid phase extraction; spectrometers; tandem mass spectrometry; washing
Abstract:
... Methamphetamine is a widely abused psychostimulant containing a chiral center. Consumption of over-the-counter and prescription medications may yield positive amphetamines results, but chiral separation of l- and d-methamphetamine and its metabolite amphetamine can help determine whether the source was licit or illicit. We present the first LC–MS/MS method with precolumn derivatization for methamp ...
DOI:
10.1016/j.chroma.2014.06.096

10. First metabolic profile of PV8, a novel synthetic cathinone, in human hepatocytes and urine by high-resolution mass spectrometry

Author:
Huestis, Marilyn A.,   et al.   ; Swortwood, Madeleine J.; Ellefsen, Kayla N.; Wohlfarth, Ariane; Diao, Xingxing; Concheiro-Guisan, Marta; Kronstrand, Robert;     Show all 7 Authors
Source:
Analytical and bioanalytical chemistry 2016 v.408 no.18 pp. 4845-4856
ISSN:
1618-2642
Subject:
algorithms; biochemical pathways; biotransformation; business enterprises; carboxylation; dehydrogenation; forensic sciences; half life; hepatocytes; humans; hydroxylation; laboratory techniques; liver; markets; mass spectrometry; metabolites; new drugs; pharmacokinetics; psychotropic agents; toxicology; urine; Germany; Japan; Netherlands
Abstract:
... Novel psychoactive substances (NPS) are ever changing on the drug market, making it difficult for toxicology laboratory methods to stay current with so many new drugs. Recently, PV8, a synthetic pyrrolidinophenone, was detected in seized products in Japan (2013), The Netherlands (2014), and Germany (2014). There are no controlled PV8 administration studies, and no pharmacodynamic and pharmacokinet ...
DOI:
10.1007/s00216-016-9599-4

11. Simultaneous quantification of 28 synthetic cathinones and metabolites in urine by liquid chromatography-high resolution mass spectrometry

Author:
Huestis, Marilyn A.,   et al.   ; Concheiro, Marta; Anizan, Sebastien; Ellefsen, Kayla;     Show all 4 Authors
Source:
Analytical and bioanalytical chemistry 2013 v.405 no.29 pp. 9437-9448
ISSN:
1618-2642
Subject:
detection limit; urine; spectrometers; amphetamines; cation exchange; acetonitrile; freeze-thaw cycles; ambient temperature; formic acid; pH; mass spectrometry; forensic sciences; liquid chromatography; metabolites
Abstract:
... Synthetic cathinones are novel stimulants derived from cathinone, with amphetamines or cocaine-like effects, often labeled “not for human consumption” and considered “legal highs”. Emergence of these new designer drugs complicate interpretation of forensic and clinical cases, with introduction of many new analogs designed to circumvent legislation and vary effects and potencies. We developed a met ...
DOI:
10.1007/s00216-013-7386-z

12. Simultaneous quantification of Δ⁹-tetrahydrocannabinol, 11-nor-9-carboxy-tetrahydrocannabinol, cannabidiol and cannabinol in oral fluid by microflow-liquid chromatography–high resolution mass spectrometry

Author:
Huestis, Marilyn A.,   et al.   ; Concheiro, Marta; Lee, Dayong; Lendoiro, Elena;     Show all 4 Authors
Source:
Journal of chromatography 2013 v.1297 pp. 123-130
ISSN:
0021-9673
Subject:
Cannabis; acetonitrile; ammonium acetate; biomarkers; breathing; cannabidiol; liquid chromatography; mass spectrometry; pH; proteins; solid phase extraction
Abstract:
... Δ⁹-Tetrahydrocannabinol (THC) is the primary target in oral fluid (OF) for detecting cannabis intake. However, additional biomarkers are needed to solve interpretation issues, such as the possibility of passive inhalation by identifying 11-nor-9-carboxy-THC (THCCOOH), and determining recent cannabis smoking by identifying cannabidiol (CBD) and/or cannabinol (CBN). We developed and comprehensively ...
DOI:
10.1016/j.chroma.2013.04.071
PubMed:
23726246
PubMed Central:
PMC3918468

13. Biochip array technology immunoassay performance and quantitative confirmation of designer piperazines for urine workplace drug testing

Author:
Huestis, Marilyn A.,   et al.   ; Castaneto, Marisol S.; Barnes, Allan J.; Concheiro, Marta; Klette, Kevin L.; Martin, Thomas A.;     Show all 6 Authors
Source:
Analytical and bioanalytical chemistry 2015 v.407 no.16 pp. 4639-4648
ISSN:
1618-2642
Subject:
antibodies; antidepressants; antigens; chemiluminescence; detection limit; immunoassays; liquid chromatography; mass spectrometry; metabolites; peroxidase; piperazine; quality control; screening; urine; working conditions
Abstract:
... Designer piperazines are emerging novel psychoactive substances (NPS) with few high-throughput screening methods for their identification. We evaluated a biochip array technology (BAT) immunoassay for phenylpiperazines (PNP) and benzylpiperazines (BZP) and analyzed 20,017 randomly collected urine workplace specimens. Immunoassay performance at recommended cutoffs was evaluated for PNPI (5 μg/L), P ...
DOI:
10.1007/s00216-015-8660-z

14. Quantification of cocaine and metabolites in exhaled breath by liquid chromatography-high-resolution mass spectrometry following controlled administration of intravenous cocaine

Author:
Huestis, Marilyn A.,   et al.   ; Ellefsen, Kayla N.; Concheiro, Marta; Beck, Olof; Gorelick, David A.; Pirard, Sandrine;     Show all 6 Authors
Source:
Analytical and bioanalytical chemistry 2014 v.406 no.25 pp. 6213-6223
ISSN:
1618-2642
Subject:
adults; cocaine; drugs; filters; ingestion; intravenous injection; liquid chromatography; mass spectrometry; metabolites; storage conditions
Abstract:
... Breath has been investigated as an alternative matrix for detecting recent cocaine intake; however, there are no controlled cocaine administration studies that investigated the drug’s disposition into breath. Breath was collected from 10 healthy adult cocaine users by asking them to breathe into a SensAbues device for 3 min before and up to 22 h following 25 mg intravenous (IV) cocaine dosing on d ...
DOI:
10.1007/s00216-014-8051-x

15. Evaluation of a homogenous enzyme immunoassay for the detection of synthetic cannabinoids in urine

Author:
Huestis, Marilyn A.,   et al.   ; Barnes, Allan J.; Young, Sheena; Spinelli, Eliani; Martin, Thomas M.; Klette, Kevin L.;     Show all 6 Authors
Source:
Forensic science international 2014 v.241 pp. 27-34
ISSN:
0379-0738
Subject:
antibodies; buprenorphine; cannabinoids; cross reaction; detection limit; diagnostic sensitivity; enzyme immunoassays; metabolites; screening; urine
Abstract:
... The recent emergence and widespread availability of many new synthetic cannabinoids support the need for an accurate and high-throughput urine screen for these new designer drugs. We evaluated performance of the immunalysis homogeneous enzyme immunoassay (HEIA) to sensitively, selectively, and rapidly identify urinary synthetic cannabinoids.2443 authentic urine samples were analyzed with the HEIA ...
DOI:
10.1016/j.forsciint.2014.04.020
PubMed:
24845968
PubMed Central:
PMC4127333

16. Validation of a novel method to identify in utero ethanol exposure: simultaneous meconium extraction of fatty acid ethyl esters, ethyl glucuronide, and ethyl sulfate followed by LC-MS/MS quantification

Author:
Huestis, Marilyn A.,   et al.   ; Himes, Sarah K.; Concheiro, Marta; Scheidweiler, Karl B.;     Show all 4 Authors
Source:
Analytical and bioanalytical chemistry 2014 v.406 no.7 pp. 1945-1955
ISSN:
1618-2642
Subject:
methanol; ambient temperature; solid phase extraction; arachidonic acid; feces; pregnancy; stearic acid; tandem mass spectrometry; esters; liquid chromatography; alcohol drinking; oleic acid; ethanol
Abstract:
... Presence of fatty acid ethyl esters (FAEE), ethyl glucuronide (EtG), and ethyl sulfate (EtS) in meconium, the first neonatal feces, identifies maternal alcohol consumption during pregnancy. Current meconium alcohol marker assays require separate analyses for FAEE and EtG/EtS. We describe development and validation of the first quantitative liquid chromatography tandem mass spectrometry assay for 9 ...
DOI:
10.1007/s00216-013-7600-z
PubMed:
24408304
PubMed Central:
PMC4539124

17. Metabolism of synthetic cannabinoids PB-22 and its 5-fluoro analog, 5F-PB-22, by human hepatocyte incubation and high-resolution mass spectrometry

Author:
Huestis, Marilyn A.,   et al.   ; Wohlfarth, Ariane; Gandhi, Adarsh S.; Pang, Shaokun; Zhu, Mingshe; Scheidweiler, Karl B.;     Show all 6 Authors
Source:
Analytical and bioanalytical chemistry 2014 v.406 no.6 pp. 1763-1780
ISSN:
1618-2642
Subject:
biochemical pathways; cannabinoids; cryopreservation; cysteine; data collection; drugs; hepatocytes; humans; hydrolysis; mass spectrometry; metabolism; metabolites; oxidation; quinoline; spectrometers; urinalysis; urine
Abstract:
... BACKGROUND: PB-22 (1-pentyl-8-quinolinyl ester-1H-indole-3-carboxylic acid) and 5F-PB-22 (1-(5-fluoropentyl)-8-quinolinyl ester-1H-indole-3-carboxylic acid) are new synthetic cannabinoids with a quinoline substructure and the first marketed substances with an ester bond linkage. No human metabolism data are currently available, making it difficult to document PB-22 and 5F-PB-22 intake from urine a ...
DOI:
10.1007/s00216-014-7668-0

18. Optimization and validation of a liquid chromatography-tandem mass spectrometry method for the simultaneous quantification of nicotine, cotinine, trans-3′-hydroxycotinine and norcotinine in human oral fluid

Author:
Huestis, Marilyn A.,   et al.   ; Shakleya, Diaa M.;     Show all 2 Author
Source:
Analytical and bioanalytical chemistry 2009 v.395 no.7 pp. 2349-2357
ISSN:
1618-2642
Subject:
biomarkers; correlation; cotinine; humans; liquid chromatography; metabolites; monitoring; nicotine; solid phase extraction; tandem mass spectrometry
Abstract:
... An analytical procedure was developed and validated for the simultaneous identification and quantification of nicotine, cotinine, trans-3′-hydroxycotinine, and norcotinine in 0.5 mL of human oral fluid collected with the Quantisal™ oral fluid collection device. Solid phase extraction and liquid chromatography-tandem mass spectrometry with multiple reaction monitoring were utilized. Endogenous and ...
DOI:
10.1007/s00216-009-3157-2
PubMed:
19838828
PubMed Central:
PMC3171506

19. Simultaneous quantification of nicotine, opioids, cocaine, and metabolites in human fetal postmortem brain by liquid chromatography tandem mass spectrometry

Author:
Huestis, Marilyn A.,   et al.   ; Shakleya, Diaa M.;     Show all 2 Author
Source:
Analytical and bioanalytical chemistry 2009 v.393 no.8 pp. 1957-1965
ISSN:
1618-2642
Subject:
biomarkers; brain; cocaine; codeine; cotinine; homogenization; humans; liquid chromatography; metabolites; narcotics; nicotine; solid phase extraction; tandem mass spectrometry
Abstract:
... A validated method for simultaneous LCMSMS quantification of nicotine, cocaine, 6-acetylmorphine (6AM), codeine, and metabolites in 100 mg fetal human brain was developed and validated. After homogenization and solid-phase extraction, analytes were resolved on a Hydro-RP analytical column with gradient elution. Empirically determined linearity was from 5-5,000 pg/mg for cocaine and benzoylecgonine ...
DOI:
10.1007/s00216-009-2661-8
PubMed:
19229524
PubMed Central:
PMC3178103

20. Simultaneous analysis of buprenorphine, methadone, cocaine, opiates and nicotine metabolites in sweat by liquid chromatography tandem mass spectrometry

Author:
Huestis, Marilyn A.,   et al.   ; Concheiro, Marta; Shakleya, Diaa M.;     Show all 3 Authors
Source:
Analytical and bioanalytical chemistry 2011 v.400 no.1 pp. 69-78
ISSN:
1618-2642
Subject:
acetates; acetonitrile; biomarkers; buprenorphine; cocaine; codeine; cotinine; formic acid; liquid chromatography; metabolites; methadone; monitoring; morphine; nicotine; pH; sweat; tandem mass spectrometry; tobacco; women
Abstract:
... A liquid chromatography tandem mass spectrometry method for buprenorphine (BUP), norbuprenorphine (NBUP), methadone, 2-ethylidene-1,5-dimethyl-3,3-diphenylpyrrolidine (EDDP), cocaine, benzoylecgonine, ecgonine methyl ester (EME), morphine, codeine, 6-acetylmorphine, heroin, 6-acetylcodeine, cotinine, and trans-3′-hydroxycotinine quantification in sweat was developed and comprehensively validated. ...
DOI:
10.1007/s00216-010-4392-2
PubMed:
21125263
PubMed Central:
PMC3717346