非靶向代謝組

非靶向代謝組學(xué)是將生物體所有內(nèi)源性代謝物作為研究目標(biāo)（廣篩），重點在于比較實驗組和對照組，發(fā)現(xiàn)尋找其種具有顯著變化的代謝物質(zhì)（差異代謝物），并構(gòu)建代謝通路以解釋代謝物于該生命體的關(guān)聯(lián)

 實驗方法

 結(jié)果展示

正離子模式下總離子流圖（TIC）

負(fù)離子模式下總離子流圖（TIC）

Annotation	RI	mz	rt	rtmins	KEGG	B10	B11
Pyruvic acid	1052.7	174.0932035	425.617	7.093616667	C00022	0.3565036	0.056507411
Lactic acid	1064.7	117.0999985	436.85	7.280833333	C00186	4.747036327	3.344078952
Glycolic acid	1078.8	177.1000061	449.6945	7.494908333	C00160	1.326885339	0.527382498
Alanine	1107.6	116.1432731	476.326	7.938766667	C00041	3.028170541	3.084627979
Oxalic acid	1136	190.1000061	502.318	8.371966667	C00209	0.194537206	0.091481498
Heptanoic acid	1177.8	144.1581335	539.863	8.997716667	C17714	0.115500201	0.128741438
2-Aminobutyric acid	1178.3	130.1487871	540.51	9.0085	C02356	0.364989578	0.079262412
Methylmalonic acid	1203	247.0898469	562.6535	9.377558333	C02170	0.035611705	0.005913077
Valine	1223.2	144.1828377	579.983	9.666383333	C00183	1.50831138	0.379191532
4-Hydroxybutanoic acid	1239.1	117.0711577	593.143	9.885716667	C01770	0.146412544	0.086628849
Urea	1246.4	189.1000061	599.877	9.99795	C00086	0.07279439	0.009963712
Benzoic acid	1252.1	179.0967188	604.696	10.07826667	C00180	0.757627476	1.088216438
1,3-Di-Tert-Butylbenzene	1261.3	175.1661048	612.737	10.21228333	NA	0.934027453	0.03662111
Ethanolamine	1275.3	174.1877773	624.2735	10.40455833	C00189	6.510647873	1.843890014
Leucine	1279.6	158.1784614	628.416	10.4736	C00123	0.941304245	0.363700099
Glycerol	1283.5	205.1000061	632.9085	10.548475	C00116	18.67529482	22.50317805
Phosphoric acid	1284	299.1000061	633.189	10.55315	C00009	536.4761026	661.2377331
Proline	1306.1	142.1501043	650.863	10.84771667	C00148	0.322801402	0.080096555
Glycine	1316.6	174.1862447	658.924	10.98206667	C00037	16.92097907	17.66554668
Succinic acid	1316.9	247.1574299	659.2495	10.98749167	C00042	0.723656144	0.531405997
Glyceric acid	1341	292.1895564	678.819	11.31365	C00258	0.793085658	0.10722067
Uracil	1347.4	241.1000061	683.955	11.39925	C00106	0.740366515	0.203055317
Fumaric acid	1349.6	245.1000061	685.522	11.42536667	C00122	0.490779555	0.201807865
Nonanoic acid	1362.1	215.1775755	695.503	11.59171667	C01601	0.071946663	0.060307398
Serine	1370.9	204.1952103	702.576	11.7096	C00065	4.056129365	3.551741534

正模式下樣品中代謝物鑒定結(jié)果

代謝物分類圖

PCA得分圖

差異代謝物熱圖

代謝通路影響因子圖

 參考文獻(xiàn)

1 植物代謝組學(xué)的典型，研究以質(zhì)譜為基礎(chǔ)，進(jìn)行了一些了的整合分析。Bais P., et al. 2012. Plantmetabolomics.org: mass spectrometry-based Arabidopsis metabolomics- database and tools update. Nucleic Acids Res. 2012 Jan;40(Database issue):D1216-20. doi: 10.1093/nar/gkr969. Epub 2011 Nov 10.

2 非靶向代謝組學(xué)的實際案例，文章使用氣相色譜/質(zhì)譜代謝組學(xué)平臺。Tsugawa H., et al. 2011. Practical non-targeted gas chromatography/mass spectrometry- based metabolomics platform for metabolic phenotype analysis. J Biosci Bioeng. 2011 Sep;112(3):292-8. doi: 10.1016/j.jbiosc.2011.05.001. Epub 2011 Jun 8.