Technical Report: "Total Solution for Metabolomic Analysis of Endogenous Metabolites Using Exact Mass Database"
LC/MS/MS Rapid Toxicology Screening System Ver.3
Library info for 235 compounds common in toxicology
This system improves the efficiency of simultaneous LC/MS/MS analysis methods by allowing the user to start analysis without time-consuming steps such as consideration of separation conditions and MS parameter optimization.
Rapid simultaneous analysis methods with analysis times under 15 mins are included for 235 compounds including drugs of abuse, psychoneurotic drugs and sedatives. The system also provides optimised conditions for synchronised survey scans used in screening measurements (conditions adopted for the product ion spectrum as a threshold value for the intensity in MRM).
Total solution including semi-quantitation
For each compound in the method, calibration curve information based on internal standards is available, so it is possible to obtain simple quantitative values after analysis. Using a pretreatment method based on the QuEChERS method*, it is possible to comprehensively recover compounds from biological samples. Qualitative analysis using the spectral library can be carried out during the data processing stage. In other words, the system provides a total solution encompassing pretreatment, analysis and data processing.
Pretreatment using the Micro Volume QuEChERS Kit
Example of data analysis using LabSolutions Insight Library Screening:
Using LabSolutions Insight Library Screening, you can check all of the following:
- (1) Quantitative results
- (2) Library search results
- (3) MS chromatogram
- (4) MS/MS spectra
- (5) Structural formula
List of registered compounds:
235 compounds including illegal drugs, sedatives, psychotropic drugs and medical drugs associated with many real-life cases.
| IS Diazepam-D5（Positive） IS_Phenobarbital-D5 (negative) 7-Aminoclonazepam 7-Aminoflunitrazepam 7-Aminonimetazepam 7-Aminonitrazepam 8-Hydroxyetizolam (M-III) 9-Hydroxyrisperidone Acetaminophen Acetylpheneturide Aconitine Alfa-methyltryptamine Allylisopropylacetylurea alpha-Hydroxyalprazolam alpha-Hydroxybrotizolam alpha-Hydroxymidazolam alpha-Hydroxytriazolam Alprazolam Amitriptyline Amlodipine Amobarbital Amoxapine Amphetamine Ampicillin Aripiprazole Atenolol Atomoxetine Atorvastatin Atropine Azelnidipine Azilsartan Barbital Benzoyl ecgonine Biperiden Blonanserin Brexpiprazole Bromazepam Bromocriptine Bromovalerylurea Bromperidol Brotizolam Bupivacaine Caffeine Candesartan Carbamazepine Carbazochrome Carpipramine Carvedilol |
Chlordiazepoxide Chlorpheniramine Chlorpromazine Chlorpromazine-M (bis-nor-) Cibenzoline Clobazam Clocapramine Clomipramine Clonazepam Clotiazepam Cloxazolam Clozapine Cocaine Codeine Colchicine DDVP Delorazepam DEP Desipramine Desmethylclotiazepam Desmethyldiazepam Dextromethorphan Diazepam Dibucaine Diclofenac Dihydrocodeine Diltiazem Diphenhydramine Diprophyline Diquat Domperidone Donepezil Dosulepin Droperidol Duloxetine Ecgonine methyl ester Ephedrine Escitalopram Estazolam Ethenzamide Ethyl loflazepate Etizolam Famotidine Fenitrothion(MEP) Fludiazepam Flufenamic acid Flunitrazepam Fluphenazine |
Flurazepam Fluvoxamine Furosemide Gabapentin Glibenclamide Gliclazide Glimepiride Haloperidol Haloxazolam Hydroxymethylbrotizolam Hydroxyzine Ibuprofen Imidapril Imipramine Irbesartan Isopropylantipyrine Ketamine Ketoprofen Lamotrigine Levetiracetam Levomepromazine Lidocaine Lorazepam Lormetazepam Losartan Loxoprofen Malathion Maprotiline MDA MDMA Medazepam Mefenamic acid Memantine Mepivacaine Mequitazine Metformin Methamphetamine Methomyl Methylephedrine Methylphenidate Mexazolam Mexiletine Mianserin Midazolam Milnacipran Mirtazapine Morphine |
Mosapramine Naftopidil N-Desmethyl clobazam N-Desmethyl zopiclone N-Desmethylmirtazapine Nemonapride Nicardipine Nicotine Nicotine-M Nifedipine Nimetazepam Nitrazepam Norephedrine Nortriptyline Noscapine Olanzapine Olmesartan Oxazepam Oxypertine Paliperidone Papaverine Paroxetine Pemoline Pentazocine Pentobarbital Perospirone Perphenazine Phenobarbital Phenytoin Pimozide Pioglitazone Pipamperone Piroxicam Pitavastatin Pranlukast Primidone Procaine Prochlorperazine Promethazine Propericiazine Propofol Propranolol Quazepam Quetiapine Risperidone Ropivacaine Rosuvastatin |
Salicylamide Salicylic acid Secobarbital Sertraline Setiptiline Sildenafil Silodosin Sitagliptin Solifenacin Spiperone Spironolactone Sulfamethoxazole Sulpiride Sultopride Suvorexant Tadalafil Tandospirone Telmisartan Temazepam Tetracaine THC THC-COOH Thiamylal Timiperone Tofisopam Topiramate Tramadol Trandolapril Trazodone Triazolam Trihexyphenidyl Trimethoprim Trimipramine Urapidil Valproic Acid Valsartan Vardenafil Venlafaxine Verapamil Warfarin Zalepron Zolpidem Zolpidem _M-1 Zonisamide Zopiclone Zopiclone-N-oxide Zotepine |
Cautions
- LabSolutions LCMS Ver. 5.97 or later is required.
- This system is for research use only. Not for use in diagnostic procedures.
- Depending on the condition and specifics of the equipment used, differences in quantitative values may occur. For accurate quantitative values, please use a calibration curve method with appropriate standard samples. In addition, scores obtained from searching in the library show the similarity of spectra and form one basis for the identification of compounds, but for more accurate compound identification it is more effective to combine multifaceted information such as retention times and sample information.
LabSolutions and LCMS are trademarks of Shimadzu Corporation.
Applications
| Applications | Creation Date |
|---|---|
|
2012-05-18 |
News / Events
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Shimadzu has released the LC/MS/MS Method Package for Short Chain Fatty Acids
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Shimadzu has released the LC/MS/MS Method Package for Lipid Mediators Ver. 3
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Shimadzu has released the LC/MS/MS Method Package for Veterinary Drugs Ver. 2
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Shimadzu has released the LC/MS/MS Method Package for Bile Acids Ver. 2.
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User interviews December 2020
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