Technical Report: "Total Solution for Metabolomic Analysis of Endogenous Metabolites Using Exact Mass Database"
LC/MS/MS Method Package for Water Quality Analysis
For LabSolutions™ LCMS Software
Ready-to-Use Methods Provided
Shimadzu provides method files, including pre-registered MRM parameters with optimized quantitative and reference ions, LC separation parameters, and retention times and peak identification parameters for each compound, as well as report templates for outputting quantitation results, as a package. If retention times are adjusted when the system is introduced, based on the HPLC configuration delivered, the analysis process can be started as soon as the specified columns, mobile phases, and standard samples are supplied.
Smooth Analysis of Multiple Analytes with LabSolutions Insight
When analyzing data for multiple components and analytes, everything from batch analysis to the creation of reports can be performed by LabSolutions Insight. LabSolutions Insight is a software program equipped with quantitative analysis and screening functions. In the analysis window, information is displayed for each target compound and set of measurement data, and both quantitative values and area values can be listed. This allows the user to select the easiest display method for checking the data in accordance with the workflow. In addition, by using the flagging function, only the results exceeding specified standard values are displayed, improving the analytical throughput of multiple components and analytes subject to the regulations.
Methods Easily Customized
Since LabSolutions Version 5 enables the addition or deletion of components to be analyzed, methods can be easily customized. In addition, the package includes a compound parameter list enables the creation of new tables that list only the components needed.
Compounds List
Golf Course Pesticides: 44 compounds
HPLC Conditions
- Analytical column : Shim-pack XR-ODSII (150 mmL. × 2.0 mmI.D., 2.2μm)P/N 228-41623-93
- Mobile phase A : 5 mmol / L Ammonium acetate - Water
- Mobile phase B : 5 mmol / L Ammonium acetate - Methanol
- Flow rate : 0.2 mL / min
- Injection volume : 5 μL
- Column temperature : 40 °C
| Step | Time(min) | A(%) | B(%) |
|---|---|---|---|
| 0 | 0 | 80 | 20 |
| 1 | 13 | 10 | 90 |
| 2 | 23 | 10 | 90 |
| 3 | 23.01 | 80 | 20 |
| 4 | 28 | 80 | 20 |
Compound Name
| Acetamiprid Azoxystrobin Bensulide Boscalid Butamifos Cafenstrole Cafenstrole metabolite Clothianidin Cumyluron Cyclosulfamron Cyproconazole Diazinon Difenoconazole Dithiopyr Ethoxysulfron |
Fenitrothion Flazasulfuron Flutolanil Harosulfuron-methyl Imidacloprid Iprodione Isoprothiolane Isoxathion Mecoprop Mepronil Metalaxyl Oxaziclomefone Pencycuron Pendimethalin Propiconazole |
Propyzamide Pyributicarb Siduron Simazine Simeconazole Tebuconazole Tebufenozide Terbucarb Tetraconazol Thiamethoxam Thifluzamide Triclopyr Triflumizole Triflumizole metabolite |
Pesticides Targeted for Water Quality Control: 32 compounds
HPLC Conditions
- Analytical column : L-Column ODS (150 mmL. × 2.1 mmI.D., 5μm)
- Mobile phase A : 0.1% formic acid - Water
- Mobile phase B : Acetonitrile
- Flow rate : 0.2 mL / min
- Injection volume : 10 μL
- Column temperature : 40 °C
| Step | Time(min) | A(%) | B(%) |
|---|---|---|---|
| 0 | 0 | 100 | 0 |
| 1 | 30 | 0 | 100 |
| 2 | 35 | 0 | 100 |
| 3 | 35.01 | 100 | 0 |
| 4 | 45 | 100 | 0 |
Compound Name
| 2,4-D Asulam Azoxystrobin Bensulfuron-methyl Bensulid(SAP) Bentazone Carbaryl(NAC) Carbofuran Carpropamid Diuron(DCMU) Dymuron |
Fipronil Flazasulfuron Halosulfuron-methyl Iprodione MBC Mecoprop(MCPP) Methomyl MPP MPP oxon MPP oxon sulfone MPP oxon sulfoxide |
MPP sulfone MPP sulfoxide Probenazole Siduron Simazine(CAT) Thiobencarb Thiodicarb Thiuram Triclopyr Tricyclazole |
Remarks and Precautions
- LabSolutions LCMS Ver. 5.42 SP2 or later is required.
- Shimadzu makes no warranty regarding the accuracy of information included in the database or the usefulness of information obtained from using the database.
- Be sure to perform tests using standard samples to confirm qualitative and quantitative information obtained with the given system.
- To reliably identify registered substances using this database, measure samples using the instrument parameters specified in the method template files included in the product.
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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Sustainability initiatives
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2 Zero hunger
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6 Clean water and sanitation