初级代谢物液相色谱 - 串联质谱（LC/MS/MS）方法包 3.0 版

For LabSolutions™ LCMS Software

概述

200 种化合物的即用型方法

本方法包可实现对大量化合物的高效同步分析。经过优化的液相色谱（LC）分离条件与质谱（MS）参数，能减少方法开发过程中投入的时间与精力。

优化分析条件

可根据分析目标与所用设备，在两种方法类型中选择其一。其中，离子对试剂法（可分析 112 种化合物）对糖磷酸酯类物质的分析尤为适用；而非离子对试剂法（可分析 141 种化合物）无需使用离子对试剂，在高附加值物质研究中效果显著，且本版本已新增甲羟戊酸途径和莽草酸途径相关的化合物。

分析条件

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

代谢变化的可视化呈现

借助随附的多组学数据分析包，可在代谢图谱上轻松将定量数据以可视化形式呈现。

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

兼容Nexera™ 系列及 LCMS-8060NX 系统

所有方法均兼容 Nexera 系列与 LCMS-8045/8050/8060（NX）系列系统，可覆盖广泛的分析需求。

从样品前处理到分析的一站式解决方案

本方法包包含生物组织提取物的制备操作流程，借助成熟的前处理技术可实现稳定分析，同时减少方法开发过程中投入的人力与成本。

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化合物列表

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

* 通过本方法包，可根据所用设备及分析目标，在离子对试剂法（可分析 112 种化合物）与 PFPP 色谱柱法（可分析 141 种化合物）中选择其一。

注意事项

需使用 LabSolutions LCMS 5.99 SP2 版本及以上。
本方法包仅用于科研目的。

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