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Analysis: HILIC POSITIVE ION MODE

SelectMetabolite Name RefMet Name/Standardized Name* WorkBench
Metabolite_ID		 PubChem
Compound_ID		 Kegg Id Retention
time/index		 m/z ratio
EpigallocatechinEpigallocatechinME763847--10.22307.0826
Glutathione (oxidized)GlutathioneME763851--10.22613.1594
1,2-Dilinoleoylglycerol-ME763808--1.10634.5387
Androstane-3,17-diol3alpha-AndrostanediolME763830--1.12293.2456
Tris(2-butoxyethyl) phosphate-ME763906--1.13399.251
AndrostenedioneAndrostenedioneME763831--1.16287.1982
TestosteroneTestosteroneME763902--1.18289.2144
Ubiquinone 9Ubiquinone-1ME763908--1.18795.6243
N-Tetracosenoyl-4-sphingenine-ME763878--1.23648.6241
Arachidonyl dopamineN-Arachidonoyl dopamineME763833--1.25440.3191
MethyprylonMethyprylonME763870--1.35184.1328
N-Lauroylsarcosine-ME763875--1.47272.2226
DaidzeinDaidzeinME763845--1.55255.063
3-(2-Aminopropyl)phenol-ME763811--1.70152.1072
BiliverdinBiliverdinME763836--1.71583.2501
Benzyldimethyltetradecylammonium-ME763834--1.77332.3326
4-Hydroxyquinoline4-HydroxyquinolineME763818--1.84146.0595
Naftopidil-ME763883--1.87393.2107
NicotinamideNiacinamideME763884--1.87123.0558
4-Imidazoleacrylic acidUrocanic acidME763819--1.96121.0402
Nudifloramide-ME763885--2.35153.0644
5'-Methylthioadenosine5'-MethylthioadenosineME763821--2.77298.097
Stearoyl-L-carnitineCAR 18:0ME763900--2.77428.3721
Icaridin-ME763858--2.92230.1729
PalmitoylcarnitineCAR 16:0ME763889--2.98400.3426
Tetrahydrozoline-ME763903--3.01201.1379
UreaUreaME763910--3.1161.0396
Myristoyl-L-carnitineCAR 14:0ME763872--3.23372.3116
Lauroyl-L-carnitineCAR 12:0ME763864--3.56344.2786
1-(4-Chlorophenyl)-2-(4-morpholinyl)ethanol-ME763806--3.72242.0999
Pantothenic acidPantothenic acidME763890--3.75220.1188
Decanoyl-L-carnitineCAR 10:0ME763846--4.06316.2468
OctanoylcarnitineCAR 8:0ME763886--4.63288.2146
AdenineAdenineME763825--5.03136.0616
2-(5-Oxovaleryl)phosphatidylcholine-ME763809--5.24594.374
HypoxanthineHypoxanthineME763857--5.25137.0458
UridineUridineME763911--5.27245.0768
8-Oxo-2-deoxyadenosine8-Oxo-2'-deoxyadenosineME763822--5.34268.1038
CreatinineCreatinineME763841--5.35114.0671
Palmitoyl sphingomyelinSM 18:1;O2/16:0ME763888--5.40703.5738
2-Methylbutyryl-L-carnitineCAR 4:0;2MeME763810--5.50246.1697
CholineCholineME763838--5.62104.1067
Phenylacetaldehyde B-ME763891--5.82121.0645
TMAOTrimethylamine N-oxideME763905--5.8976.0757
(R)-ButyrylcarnitineCAR 4:0ME763805--5.91232.1535
SerotoninSerotoninME763899--6.08177.0998
RiboflavinRiboflavinME763895--6.30377.1441
N-omega-AcetylhistamineN-AcetylglutamineME763877--6.40154.0956
InosineInosineME763859--6.53269.0891
PropionylcarnitineCAR 3:0ME763894--6.58218.1385
GuanineGuanineME763854--6.68152.0542
MethacholineMethacholineME763867--6.93160.1327
4-Aminomethylcyclohexanecarboxylic acid-ME763817--7.11158.1182
ThiamineThiamineME763904--7.12265.1125
CytidineCytidineME763842--7.14244.0918
LeucineLeucineME763865--7.18132.1009
IsoleucineIsoleucineME763861--7.36132.1008
(2R)-3-HydroxyisovaleroylcarnitineCAR 4:0;OH,MeME763804--7.40262.1647
AcetylcarnitineCAR 2:0ME763823--7.40204.1224
BetaineBetaineME763835--7.45118.0857
MethionineMethionineME763868--7.55150.0574
1-Methyladenosine1-MethyladenosineME763807--7.57282.1207
N-alpha-methylhistamine-ME763874--7.61126.1012
4-Aminobenzoic acidp-Aminobenzoic acidME763816--7.66138.0548
3-HydroxybutyrylcarnitineCAR 4:0;3OHME763813--7.74248.1494
TyrosineTyrosineME763907--7.79182.0809
3-Pyridylacetic acid3-Pyridylacetic acidME763815--7.82138.0548
ProlineProlineME763893--7.91116.0692
AcetylcholineAcetylcholineME763824--7.92146.1166
CarnitineCarnitineME763837--7.92162.112
Pro-LeuPro-LeuME763892--7.92229.154
ErgothioneineErgothioneineME763848--7.98230.0949
gamma-Glutamylleucinegamma-GlutamylleucineME763850--8.13261.1449
CreatineCreatineME763840--8.24132.0767
HypotaurineHypotaurineME763856--8.24110.0259
AlanineAlanineME763828--8.2590.0547
Guanidinopropionic acid-ME763853--8.25154.057
HomoserineHomoserineME763855--8.42120.0637
3-Aminopyridine-ME763812--8.5495.0601
Methioninesulfoxide A-ME763869--8.68166.0511
Malonyl-L-carnitineCAR DC3:0ME763866--8.70248.1117
N2-(1-Oxo-4-phenylbutyl)-L-glutamine-ME763881--8.71293.1423
5-{[2-(4-Chlorophenyl)ethyl]amino}-3-methyl-5-oxop...-ME763820--8.75284.1031
Glycerophosphocholinesn-Glycero-3-phosphocholineME763852--8.76258.1111
SerineSerineME763898--8.78106.0499
L-.beta.-Homoserine-ME763862--8.85102.0531
S-Adenosyl-homocysteineS-AdenosylhomocysteineME763896--8.86385.128
LactitolLactitolME763863--8.89345.1385
CitrullineCitrullineME763839--8.92176.1015
N8-AcetylspermidineN8-AcetylspermidineME763882--8.93188.1753
N,N-DimethylarginineDimethylarginineME763879--9.05203.149
Ala-GlnAla-GlnME763827--9.12218.1122
AMPAMPME763829--9.14348.071
Adenosine 5'-monophosphateAMPME763826--9.16370.0495
UMPUMPME763909--9.22325.0435
TarginineTarginineME763901--9.26189.133
N.epsilon.-Dimethyl-L-lysine-ME763880--9.27175.1441
Inosine-5'-monophosphateIMPME763860--9.36349.0557
N-MethyllysineN(6)-MethyllysineME763876--9.38161.1282
N-Acetylneuraminic acidN-Acetylneuraminic acidME763873--9.44310.1114
3-Methylhistidine3-MethylhistidineME763814--9.50170.091
AnserineAnserineME763832--9.59241.1291
FADFADME763849--9.65786.1602
OrnithineOrnithineME763887--9.66133.0967
S-Adenosyl-methionineS-AdenosylmethionineME763897--9.81399.1457
.beta.-Nicotinamide adenine dinucleotideNADME763803--9.82664.1146
Miltefosine-ME763871--9.92184.0726
Cytidine 5'-diphosphocholineCDP-cholineME763844--9.93489.113
Cytidine 5'-diphosphate ethanolamineCDP-EthanolamineME763843--9.96447.0663
Uridine-5-diphosphoacetylglucosamineUDP-N-acetylglucosamineME763912--9.96608.0867


Analysis: HILIC NEGATIVE ION MODE

SelectMetabolite Name RefMet Name/Standardized Name* WorkBench
Metabolite_ID		 PubChem
Compound_ID		 Kegg Id Retention
time/index		 m/z ratio
Uridine diphosphate galactoseUridine diphosphategalactoseME763981--10.13565.0476
VerbascoseVerbascoseME763984--10.26827.2632
Uridine diphosphate glucuronic acidUDP-glucuronic acidME763982--10.34579.0218
Docosahexanoic acidDHAME763935--1.16327.2334
GlimepirideGlimepirideME763941--1.17489.2122
Linoleic acidLinoleic acidME763955--1.17279.2336
VanillinVanillinME763983--1.26151.0395
2-Hydroxyquinoline2-HydroxyquinolineME763917--1.28144.0457
4,5,7-TrihydroxyisoflavoneGenisteinME763919--1.41269.0446
10-Hydroxydecanoic acid10-Hydroxydecanoic acidME763914--1.43187.1325
LiquiritigeninLiquiritigeninME763956--1.43255.0657
1,11-Undecanedicarboxylic acidTridecanedioic acidME763913--1.48243.159
Indoxyl sulfateIndoxyl sulfateME763951--1.57212.0025
Phenylpyruvic acidPhenylpyruvic acidME763968--1.63163.039
Ferulic acidtrans-Ferulic acidME763937--1.67193.0483
9-(2,3-Dihydroxypropoxy)-9-oxononanoic acid-ME763920--1.69261.1334
CortisoneCortisoneME763931--1.69359.1878
Dihydro-4,4-dimethyl-2,3-furandione2-DehydropantolactoneME763934--1.73127.0392
LumichromeLumichromeME763957--1.78241.0716
P-Toluenesulfonic acid-ME763965--1.82171.0129
Propionic acidPropionic acidME763970--1.8973.0288
2-Hydroxy-3-methylbutyric acid2-Hydroxy-3-methylbutyric acidME763916--2.01117.0556
4-Methyl-2-oxovaleric AcidKetoleucineME763918--3.01129.055
Methylsuccinic acidMethylsuccinic acidME763961--3.11131.035
Glutaric acidGlutaric acidME763946--3.18131.0346
2-DeoxyuridineDeoxyuridineME763915--3.45227.0669
Pantothenic acidPantothenic acidME763966--3.75218.1043
Erythronolactone-ME763936--4.50117.0194
Dehydroascorbic acidDehydroascorbic acidME763933--4.74173.0097
AdenineAdenineME763921--5.04134.0474
UridineUridineME763979--5.27243.0628
AdenosineAdenosineME763922--5.37266.0879
Pyruvic acidPyruvic acidME763972--5.4587.0083
AllantoinAllantoinME763926--5.91157.036
Taurocholic acidTaurocholic acidME763976--6.33514.283
TryptophanTryptophanME763978--6.98203.081
PhenylalaninePhenylalanineME763967--7.04164.0722
LeucineLeucineME763954--7.19130.0871
GuanosineGuanosineME763948--7.39282.0825
XanthosineXanthosineME763985--7.48283.0663
N-AcetylglucosamineN-AcetylglucosamineME763962--7.83220.0822
TaurineTaurineME763975--7.92124.0078
GalactoseGalactoseME763940--7.99179.0576
Cnidioside A-ME763930--8.01367.1037
N-epsilon-AcetyllysineN6-AcetyllysineME763963--8.25187.1102
MethioninesulfoxideMethionine sulfoxideME763960--8.68164.0375
GlutamineGlutamineME763945--8.72145.063
SerineSerineME763974--8.79104.0346
Glutamic acidGlutamic acidME763944--8.86146.0465
N-MethylalanineN-MethylalanineME763964--8.86102.0572
Pyroglutamic acidPyroglutamic acidME763971--8.86128.035
Lactose A-ME763953--8.91341.1086
TrehaloseTrehaloseME763977--9.01341.1083
Glutathione (reduced)GlutathioneME763947--9.11306.0754
Adenosine 5'-monophosphateAMPME763924--9.15346.0561
Uridine 5'-monophosphateUMPME763980--9.24323.0287
Aspartic acidAspartic acidME763928--9.28132.031
Phosphoenolpyruvic acidPhosphoenolpyruvic acidME763969--9.28166.9736
Ribose-5-phosphateRibose 5-phosphateME763973--9.36229.0119
Inosine-5-monophosphateIMPME763952--9.37347.0407
HistidineHistidineME763950--9.50154.062
ArginineArginineME763927--9.55173.1038
Fructose-1-phosphateFructose 1-phosphateME763939--9.62259.0225
LysineLysineME763958--9.62145.0982
CarnosineCarnosineME763929--9.63225.0989
Flavin adenine dinucleotideFADME763938--9.65784.1496
Cytidine-5'-monophosphateCMPME763932--9.67322.0432
Guanosine-5'-monophosphateGMPME763949--9.68362.0497
Adenylosuccinic acidAdenylsuccinic acidME763925--9.69462.0656
MaltotrioseMaltotrioseME763959--9.69503.16
Glucose-1-phosphateGlucose 1-phosphateME763942--9.76259.0231
Glucose-6-phosphateGlucose 6-phosphateME763943--9.90259.0225
Adenosine 5'-diphosphoriboseADP-riboseME763923--9.93558.0658


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