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Analysis: GC POSITIVE ION MODE

SelectMetabolite Name RefMet Name/Standardized Name* WorkBench
Metabolite_ID		 PubChem
Compound_ID		 Kegg Id Retention
time/index		 m/z ratio
asparagineAsparagineME721013--12.579116.085
alanineAlanineME721011--6.618116.09
prolineProlineME721042--8.818142.1
valineValineME721055--7.91144.121
DMPA (ISTD)-ME721017--11.668148
5-oxo-prolinePyroglutamic acidME721010--11.172156.1
glutamineGlutamineME721026--13.45156.1
isoleucineIsoleucineME721030--8.774158.137
leucineLeucineME721033--8.527158.137
pyruvatePyruvic acidME721043--6.025174.0586
glycineGlycineME721029--8.926174.113
lysineLysineME721034--14.714174.113
methionineMethionineME721039--11.135176.093
glycerateGlyceric acidME721027--9.189189.077
phenylalaninePhenylalanineME721041--12.181192.12
ketoglutarate2-Oxoglutaric acidME721012--11.668198.06
disaccharide_14.71-ME721032--14.716204
disaccharide_21.5-ME721031--21.5204
disaccharide_21.9-ME721021--21.9204
shikimateShikimic acidME721046--13.783204.1
serineSerineME721045--9.509204.124
glucoseGlucoseME721024--14.663205.108
glycerolGlycerolME721028--8.561205.108
mannitolMannitolME721037--14.927205.108
disaccharide_14.98-ME721038--14.98217
hexose_13.45HexoseME721050--13.45217
threonineThreonineME721052--9.806219.11
aspartateAspartic acidME721014--11.155232.119
malateMalic acidME721035--10.835233.103
fumarateFumaric acidME721019--9.28245.067
glutamateGlutamic acidME721025--12.09246.135
succinateSuccinic acidME721048--8.939247.082
(iso)-citrateIsocitric acidME721016--13.925273.098
Carb_11.60-ME721051--11.671292.1
gamma-aminobutyrategamma-Aminobutyric acidME721020--11.233304.1
myoinositolMyo-inositolME721040--16.158305.1425
fructoseFructoseME721018--14.444307
sorbitolSorbitolME721047--14.991319.158
gluconateGluconic acidME721023--15.42333.138
disaccharide_14.35-ME721053--14.354361
disaccharide_15.98-ME721054--15.98361
disaccharide_20.5-ME721036--20.515361.169
sucroseSucroseME721049--19.886361.169
sterol_ergostane-ME721015--23.16382
hexose-P-ME721022--17.8387
sterol_stigmastanes-ME721056--23.74396
raffinoseRaffinoseME721044--24.574437.203


Analysis: GC POSITIVE ION MODE

SelectMetabolite Name RefMet Name/Standardized Name* WorkBench
Metabolite_ID		 PubChem
Compound_ID		 Kegg Id Retention
time/index		 m/z ratio
asparagineAsparagineME721059--12.579116.085
alanineAlanineME721058--6.618116.09
prolineProlineME721087--8.818142.1
valineValineME721098--7.91144.121
DMPA (ISTD)-ME721063--11.668148
5-oxo-prolinePyroglutamic acidME721057--11.172156.1
glutamineGlutamineME721072--13.45156.1
isoleucineIsoleucineME721076--8.774158.137
leucineLeucineME721078--8.527158.137
pyruvatePyruvic acidME721088--6.025174.0586
glycineGlycineME721075--8.926174.113
lysineLysineME721079--14.714174.113
methionineMethionineME721084--11.135176.093
glycerateGlyceric acidME721073--9.189189.077
phenylalaninePhenylalanineME721086--12.181192.12
disaccharide_21.5-ME721077--21.5204
disaccharide_21.9-ME721067--21.9204
serineSerineME721090--9.509204.124
glucoseGlucoseME721070--14.663205.108
glycerolGlycerolME721074--8.561205.108
mannitolMannitolME721082--14.927205.108
disaccharide_14.98-ME721083--14.98217
hexose_13.45HexoseME721094--13.45217
threonineThreonineME721095--9.806219.11
aspartateAspartic acidME721060--11.155232.119
malateMalic acidME721080--10.835233.103
fumarateFumaric acidME721065--9.28245.067
glutamateGlutamic acidME721071--12.09246.135
succinateSuccinic acidME721092--8.939247.082
(iso)-citrateIsocitric acidME721062--13.925273.098
gamma-aminobutyrategamma-Aminobutyric acidME721066--11.233304.1
myoinositolMyo-inositolME721085--16.158305.1425
fructoseFructoseME721064--14.444307
sorbitolSorbitolME721091--14.991319.158
gluconateGluconic acidME721069--15.42333.138
disaccharide_14.35-ME721096--14.354361
disaccharide_15.98-ME721097--15.98361
disaccharide_20.5-ME721081--20.515361.169
sucroseSucroseME721093--19.886361.169
sterol_ergostane-ME721061--23.16382
hexose-P-ME721068--17.8387
sterol_stigmastanes-ME721099--23.74396
raffinoseRaffinoseME721089--24.574437.203


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