LC/MS/MS Method Package for Primary Metabolites

For LabSolutions™ LCMS Software

LC/MS/MS Method Package for Primary Metabolites Ver.3

Ready-to-use methods for 200 compounds

This Method Package enables efficient, simultaneous analysis of a large number of compounds. Optimized LC separation conditions and MS parameters reduce the time and effort expended on method development.

Choice of optimized analysis conditions

Choose between two method types to suit your analysis aims and equipment. The ion-pair reagent method (112 compounds) is particularly useful for the analysis of sugar phosphates, while the non-ion-pair reagent method (141 compounds), effective in the research of high-value-added substances, does not require ion-pair reagents and in this version has been expanded to include compounds involved in the mevalonate and shikimic acid pathways.

Overlaid MRM chromatograms for simultaneous analysis of a mixture of 141 standards with the non-ion-pair reagent method

Visualization of metabolic changes

With the included Multi-omics Data Analysis Package, quantitative data can be visualized easily on a metabolic map.

Visualization of simultaneous analysis results from the PFPP column method, created with the Multi-omics Data Analysis Package

Compatible with the Nexera™ series and the LCMS-8060NX

All methods are compatible with both the Nexera series and the LCMS-8045/8050/8060 (NX), covering a wide range of analysis needs.

A total solution from pretreatment to analysis

This Method Package includes protocols for preparing biological tissue extracts, enabling stable analysis with proven pretreatment techniques and reducing the labor and expense involved in method development.

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Index of compounds

List of compounds for ion-pair reagent method
Glycolytic system	Co-enzyme	Nucleotides
2,3-Bisphosphoglyceric acid 3-Phosphoglyceric acid (2-Phosphoglyceric acid) Dihydroxyacetone phosphate Fructose 1,6-bisphosphate Glucose 1-phosphate Glucose 6-phosphate Glycerol 3-phosphate Phosphoenolpyruvic acid Pyruvic acid	3-Hydroxybutyryl coenzyme A Butyryl coenzyme A Coenzyme A Crotonyl coenzyme A FAD FMN Malonyl coenzyme A Methylmalonyl coenzyme A NAD NADH NADP NADPH Nicotinic acid Pyrroloquinoline quinone	Adenine Adenosine Adenosine 3',5'-cyclic monophosphate Adenosine diphosphate Adenosine monophosphate Adenosine triphosphate AICAR Cytidine Cytidine diphosphate Cytidine monophosphate Cytidine triphosphate Guanine Guanosine Guanosine 3',5'-cyclic monophosphate Guanosine diphosphate Guanosine monophosphate Guanosine triphosphate Inosine Inosine monophosphate Orotic acid Thymidine Thymidine diphosphate Thymidine monophosphate Thymidine triphosphate Thymine Uridine Uridine diphosphate Uridine monophosphate Uridine triphosphate Xanthosine monophosphate
Pentose-phosphate pathway
Fructose 6-phosphate Glyceraldehyde 3-phosphate 6-Phosphogluconic acid Erythrose 4-phosphate Ribose 1-phosphate Ribose 5-phosphate Ribulose 5-phosphate Sedoheptulose 7-phosphate
Sugar phosphate	Nonmevalonic acid pathway
Fructose 1-phosphate Mannose 6-phosphate Phosphoribosyl pyrophosphate Ribulose 1,5-bisphosphate	HMBPP IPP_DMAPP MEP
TCA cycle	Shikimic acid pathway
Acetyl coenzyme A 2-Ketoglutaric acid Succinyl coenzyme A	Shikimic acid Shikimic acid 3-phosphate
Amino acids	Organic acids	Nucleotide sugar
2-Aminobutyric acid 4-Aminobutyric acid Alanine Arginine Asparagine Aspartic acid Cysteine Glutamic acid Glutamine Glycine Histidine 4-Hydroxyproline Isoleucine Leucine Lysine Methionine Phenylalanine Proline Serine Threonine Tryptophan Tyrosine Valine	2-Isopropylmalic acid 3-Hydroxyphenylacetic acid 4-Hydroxyphenyl pyruvic acid Citramalic acid Glyceric acid Glycerol 2-phosphate Glycerol 3-phosphate Glycolic acid Indole 3-acetic acid Pantothenic acid	ADP-glucose UDP-glucose
		Purine derivative
		Hypoxanthine Uric acid Xanthine
		Internal STDs
		2-Morpholinoethanesulfonic acid Methionine sulfone

List of compounds for PFPP column method
Glycolytic system	Organic acids	Co-enzyme
Lactic acid Pyruvic acid	2-Aminobutyric acid 4-Aminobenzoic acid 4-Aminobutyric acid Caffeic acid Cholic acid Creatine Ferulic acid Glycolic acid Glyoxylic acid Ophthalmic acid Orotic acid p-Coumaric acid Phenyllactic acid Phenylpyruvic acid Taurocholic acid Urocanic acid Vanillic acid	FAD FMN NAD Niacinamide Nicotinic acid
TCA cycle		Nonmevalonic acid pathway
2-Ketoglutaric acid Aconitic acid Citric acid Fumaric acid Isocitric acid Malic acid Succinic acid		DOXP MEP
Urea cycle	Catecholamine	Mevalonic acid pathway
Argininosuccinic acid Ornithine Citrulline	Dopamine Epinephrine Norepinephrine Serotonin	Mevalonic acid MVA-P
Amino acids	Vitamin B	Alkaloid
4-Hydroxyproline Alanine Anthranilic acid Arginine Asparagine Aspartic acid Asymmetric dimethylarginine Cystine Dimethylglycine Glutamic acid Glutamine Glycine Histidine Homocystine Isoleucine Leucine Lysine Methionine sulfoxide Phenylalanine Proline Serine Symmetric dimethylarginine Threonine Tryptophan Valine	Folic acid Pantothenic acid PLP	Higenamine Reticuline THP
	Nucleosides and Nucleotides	Others
	Adenine Adenosine Adenosine 3',5'-cyclic monophosphate Adenosine monophosphate Adenylsuccinic acid AICAR Cytidine Cytidine 3',5'-cyclic monophosphate Cytidine monophosphate Cytosine Guanine Guanosine Guanosine 3',5'-cyclic monophosphate Guanosine monophosphate Inosine Thymidine Thymidine monophosphate Thymine Tyrosine Uracil Uridine	4-Aminophenylalanine 4-Aminophenylpyruvic acid 4-Hydroxybenzoic acid Acetylcarnitine Acetylcholine Carnitine Carnosine Catechol Choline Citicoline Creatinine Cysteamine Dihydroxyphenylacetaldehyde Dihydroxyphenylacetic acid Dopa Ergothioneine Histamine Histidinol Hydroxytyrosol Indole Kynurenine Methyl-DOPA Protocatechuic acid Protocatechuic aldehyde Resveratrol Salicylic acid Sinapic acid Tyramine Vanillin
Methylation and Transsulfuration cycle	Purinederivative	Internal STDs
Cystathionine Cysteine Homocysteine Methionine 5-Glutamylcysteine Glutathione Oxidized glutathione S-Adenosylhomocysteine S-Adenosylmethionine	Allantoin Hypoxanthine Uric acid Xanthine	2-Morpholinoethanesulfonic acid Methionine sulfone
Shikimic acid pathway
3-Dehydroquinic acid 3-Dehydroshikimic acid Chorismic acid Shikimic acid Shikimic acid 3-phosphate

* With this method package, choose between the ion-pair reagent method (112 compounds) or the PFPP column method (141 compounds) depending on your equipment and analysis aims.

Precautions

LabSolutions LCMS Ver.5.99 SP2 or later is required.
This method package is for research use only..

LabSolutions and Nexera are trademarks of Shimadzu Corporation.
GARUDA is a trademark of The Systems Biology Institute.

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