代謝組學(xué)鑒定

1、NORt(min)Ion m/zIonization modeIons10.63203.220+M+H10.63129.137+M+H-NH2C3H6NH210.63112.112+M+H-NH2C3H6NH2-NH320.69181.071-M-H20.69217.047-M+Cl20.69219.045-M+K-2H20.69227.075-M+FA-H30.71154.063-M-H+H2O40.71124.016-M-H40.71249.041-2M-H50.72131.046-M-H60.81179.055-M-H60.81367.104-2M-H60.81215.031-M-Cl6

2、0.81161.046-M-H-H2O70.81131.035-M-H-OCH2-H2O70.81195.050-M-H+H2O80.81157.037-M-H80.81114.032-M-H-CONH90.81114.065+M+H90.81227.122+2M+H90.81132.076+M+H+H2O90.81136.048+M+Na90.81152.020+M+K100.82162.112+M+H110.82195.051-M-H110.82177.040-M-H-H2O110.82129.020-M-H-H2O-HCOOH?120.85118.086+M+H130.85209.030

3、-M-H130.85191.020-M-H-H2O130.85147.032-M-H-H2O-CO2140.87132.075+M+H150.87138.053+M+H160.90146.045-M-H170.90189.124+M+H180.91133.015-M-H190.93258.105+M+H200.94348.071+M+H210.95126.020+M+H210.95124.007-M-H210.95249.021-2M-H220.97244.087+M+H230.98155.010-M-H230.98111.020-M-H-CO2241.01170.095+M+H241.011

4、24.089+M+H-COOH2251.05191.022-M-H251.05173.010-M-H-H2O251.05154.999-M-H-2H2O251.05111.009-M-H-2H2O-CO251.05288.986-M+H2SO4-H261.10154.099+M+H271.12146.094+M+H281.15130.085+M+H291.20133.061+M+H301.25150.057+M+H301.25133.031+M+H-NH3311.26188.060-M-H321.28112.051+M+H321.28245.075+2M+Na331.39282.122+M+H

5、341.41166.074+M+H351.43145.015-M-H361.43169.035+M+H361.43167.020-M-H361.43335.048-2M-H371.44137.048+M+H381.51130.051+M+H381.51128.035-M-H391.51191.020-M-H391.51111.009-M-H-2H2O-CO391.51173.009-M-H-H2O391.51288.988-M+H2SO4-H391.51193.032+M+H391.51175.023+M+H-H2O391.51210.058+M+NH4401.59182.080+M+H401

6、.59165.053+M+H-NH3411.63132.101+M+H421.81268.103+M+H431.96227.065-M-H431.96263.041-M+Cl431.96273.069-M+FA-H441.97173.008-M-H441.97129.018-M-H-COO441.97111.007-M-H-COO-H2O441.97157.010+M+H-H2O441.97139.005+M+H-2H2O452.00153.067+M+H452.00136.040+M+H-NH3462.17267.073-M-H462.17137.044+M+H-C5O4H8472.4226

7、3.022-M-H482.46330.062+M+H482.46328.044-M-H492.53181.036-M-H492.53363.076-2M-H492.53183.052+M+H502.67166.089+M+H502.67120.082+M+H-COOH2502.67149.062+M+H-NH3513.01285.079+M+H513.01153.040+M+H-C5O4H8513.01283.067-M-H513.01381.036-M+H2SO4-H523.29298.111+M+H523.29166.070+M+H-C5O4H8533.43259.089+M+H533.4

8、3303.083-M+FA-H543.55241.080-M-H543.55277.057-M+Cl543.55287.085-M+FA-H543.55243.098+M+H543.55127.051+M+H-C5O3H8553.61282.121+M+H553.61316.044-M+Cl563.80298.111+M+H563.80166.075+M+H-C5O4H8573.87131.034-M-H584.19286.104+M+H584.19154.062+M+H-C5O4H8584.19284.086-M-H584.19330.089-M+FA-H584.19320.061-M+Cl

9、594.28220.119+M+H594.28202.108+M+H-H2O594.28218.102-M-H594.28437.213-2M-H594.28242.102+M+Na594.28316.074-M+H2SO4-H604.89176.038-M-H615.09145.050-M-H625.09205.099+M+H625.09188.073+M+H-NH3635.09145.050-M-H635.09129.055+M+H-CO645.14312.126+M+H645.14180.086+M+H-C5O4H8645.14310.116-M-H645.14178.071-M-H-C

10、5O4H8655.29229.151+M+H665.73158.083-M-H665.73317.172-2M-H665.73160.097+M+H665.73319.184+2M+H665.73142.085+M-H2O665.73182.064+M+Na675.87192.071+M+H675.87174.060+M+H-H2O675.87146.066+M+H-COOH2675.87144.068+M+H-HSCH3675.87190.053-M-H675.87142.055-M-H-HSCH3675.87381.115-2M-H675.87288.022-M+H2SO4-H685.87

11、151.041-M-H695.93298.100+M+H705.99137.025-M-H716.79206.044+M+H716.79178.050+M+H-CO716.79132.044+M+H-CO-COOH2716.79160.039+M+H-COOH2716.79204.029-M-H716.79160.039-M-H727.32137.026-M-H737.35180.068+M+H737.35359.127+2M+H737.35105.035+M+H-NHCH2COOH2737.35162.085+M+H-H2O737.35134.061-M-H-COO737.35178.051

12、-M-H737.35160.045-M-H-H2O737.35357.108-2M-H737.35379.085-2M-2H+Na747.58190.047+M+H747.58172.038+M+H-H2O747.58162.054+M+H-CO747.58144.043+M+H-COOH2747.58188.034-M-H747.58144.046-M-H-COO758.29159.066-M-H768.89194.081+M+H768.89192.065-M-H768.89385.134-2M-H779.82162.056+M+H779.82323.104+2M+H779.82160.04

13、6-M-H7810.13174.114+M+H7810.13128.103+M+H-COOH27810.13132.104+M+H-COCH27810.13156.104+M+H-H2O7810.13172.097-M-H7810.13130.086-M+H-HCOCH37910.36212.004-M-H7910.36291.962-M+SO3-H7910.36425.017-2M-H7910.36265.095+2M+H-2HSO37910.36132.046-M-H-SO38010.43163.044-M-H8110.55279.136+M+H8210.61377.149+M+H8210

14、.61375.131-M-H8210.61421.137-M+FA-H8310.73196.063+M+H8410.94245.098+M+H8511.18567.173-2M-H8511.18283.082-M-H8511.18605.115-2M+K-2H8511.18589.160-2M+Na-2H8511.18319.064-M+Cl8511.18321.053-M+K-H8611.86208.098+M+H8611.86206.080-M-H8712.11173.084-M-H8712.11111.080-M-H-COO-H2O8712.11195.063-M+Na-2H8712.1

15、1157.084+M-H2O8712.11387.131+2M+K8812.67204.067-M-H8915.76187.099-M-H8915.76125.097-M-H-COO-H2O9017.65199.098-M-H9017.65221.078-M+Na-2H9017.65201.116+M+H9118.39255.062+M+H9118.39277.042+M+Na9118.39293.017+M+K9118.39253.050-M-H9118.39289.025-M+Cl9118.39291.024-M+K-H9218.88201.117-M-H9218.88139.112-M-

16、H-COO-H2O9218.88223.093-M+Na-2H9321.01655.282+M+H9321.01328.143+M+2H9421.12271.061+M+H9521.20407.280-M-H9521.20453.284-M+FA-H9521.20355.260+M+FA+H9521.20373.270+M+H-2H2O9621.22391.285-M-H9621.22437.289-M+FA-H9621.22357.274+M+H-COOH2Ions originSpermineSpermineSperminemannitolmannitolmannitolmannitolh

17、istidineCiliatine (2-Aminoethylphosphonate)Ciliatine (2-Aminoethylphosphonate)AsparagineIsobar includes Glucose,Mannose,Fructose,GalactoseIsobar includes Glucose,Mannose,Fructose,GalactoseIsobar includes Glucose,Mannose,Fructose,GalactoseIsobar includes Glucose,Mannose,Fructose,GalactoseIsobar inclu

18、des Gluconate,Arabinose,Ribose,XyloseIsobar includes Gluconate,Arabinose,Ribose,XyloseallantoinallantoinCreatinineCreatinineCreatinineCreatinineCreatinineCarnitineL-Gulonic acidL-Gulonic acidL-Gulonic acidIsobar includes valine, Betaine2-Amino-3-methoxy benzoic acid2-Amino-3-methoxy benzoic acid2-Am

19、ino-3-methoxy benzoic acidCreatineTrigonellineglutamateAcetyllysineMalate glycerophosphocholineAdenosine 5-monophosphatetaurinetaurinetaurineCytidineOrotic acidOrotic acidMethylhitidineMethylhitidineisocitrateisocitrateisocitrateisocitrateisocitrateAcetylhistamine4-Guanidinobutanoate Pipecolate 3-ur

20、eidopropionate Methionine Methionine N-Acetylglutamic acidcytosinecytosine1-Methyladenosine (1mA) 7-MethylguanineOxoglutaric acidUrate Urate Urate Hypoxanthine L-Pyroglutamic acidL-Pyroglutamic acidcitratecitratecitratecitratecitratecitratecitrateTyrosineTyrosineIsobar of Leucine, NorleucineAdenosin

21、e 2-Deoxyuridine2-Deoxyuridine2-Deoxyuridineaconitateaconitateaconitateaconitateaconitate2-PY or 4-PY2-PY or 4-PYinosineinosine3-Methoxy-4-Hydrophenylglucol sultateAdenosine 3,5-cyclic monophosphate (cAMP) Adenosine 3,5-cyclic monophosphate (cAMP) 1-Methyluric acid1-Methyluric acid1-Methyluric acidP

22、henylalanine Phenylalanine Phenylalanine XanthosineXanthosineXanthosineXanthosine1-methylguanosine(m1G)1-methylguanosine(m1G)3-Methyluridine3-MethyluridineThymidine Thymidine Thymidine Thymidine Thymidine N6-methyladenosineN6-methyladenosine2-methylguanosine(m2G)2-methylguanosine(m2G)Ethylmalonate N

23、4-AcetylcytidineN4-AcetylcytidineN4-AcetylcytidineN4-AcetylcytidineN4-AcetylcytidinePantothenate Pantothenate Pantothenate Pantothenate Pantothenate Pantothenate N-Formyl-methionine Adipic acidTryptophan Tryptophan 3-Methylglutarate 3-MethylglutarateN2,N2-DimethylguanosineN2,N2-DimethylguanosineN2,N

24、2-DimethylguanosineN2,N2-DimethylguanosineLeu-ProIsovalerylglycine or 2-MethylbutyrylglycineIsovalerylglycine or 2-MethylbutyrylglycineIsovalerylglycine or 2-MethylbutyrylglycineIsovalerylglycine or 2-MethylbutyrylglycineIsovalerylglycine or 2-MethylbutyrylglycineIsovalerylglycine or 2-Methylbutyryl

25、glycineN-Acetyl-L-methionine N-Acetyl-L-methionine N-Acetyl-L-methionine N-Acetyl-L-methionine N-Acetyl-L-methionine N-Acetyl-L-methionine N-Acetyl-L-methionine N-Acetyl-L-methionine Mandelic acid5-Methylthioadenosine (MTA) 4-Hydroxybenzoic acidxanthurenic acidxanthurenic acidxanthurenic acidxanthur

26、enic acidxanthurenic acidxanthurenic acid3-Hydroxybenzoic acidHippuric acidHippuric acidHippuric acidHippuric acidHippuric acidHippuric acidHippuric acidHippuric acidHippuric acidKynurenic acidKynurenic acidKynurenic acidKynurenic acidKynurenic acidKynurenic acidHeptanedioate (Pimelate) PhenylacetylglycinePhenylacetylglycinePhenylacetylglycineDihydroxyquinolineD