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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
Pos_1-Methyl-1,3-dihydro-2H-benzimidazole-2-thione...-ME608119----
Pos_1-Methyl-1,3-dihydro-2H-benzimidazole-2-thione...-ME608120----
Pos_1-Methyl-1,3-dihydro-2H-benzimidazole-2-thione...-ME608121----
Pos_3-(2-methylpropyl)-octahydropyrrolo[1,2-a]pyra...-ME608122----
Pos_3-(2-methylpropyl)-octahydropyrrolo[1,2-a]pyra...-ME608123----
Pos_3-(2-methylpropyl)-octahydropyrrolo[1,2-a]pyra...-ME608124----
Pos_3-(2-methylpropyl)-octahydropyrrolo[1,2-a]pyra...-ME608125----
Pos_3-(2-methylpropyl)-octahydropyrrolo[1,2-a]pyra...-ME608126----
Pos_4-Guanidinobutyric acid_145.08513_146.0922_7.6...4-Guanidinobutanoic acidME608127----
Pos_4-Guanidinobutyric acid_145.08513_146.0922_7.6...4-Guanidinobutanoic acidME608128----
Pos_4-Guanidinobutyric acid_145.08513_146.0922_7.6...4-Guanidinobutanoic acidME608129----
Pos_4-IMIDAZOLEACETIC ACID__PRJKNHOMHKJCEJ-UHFFFAO...Imidazoleacetic acidME608130----
Pos_Acetylarginine_216.12224_217.1293_8.109_ExRate...-ME608131----
Pos_Acetylarginine_216.12224_217.1293_8.109_ExRate...-ME608132----
Pos_Acetylarginine_216.12224_217.1293_8.109_ExRate...-ME608133----
Pos_Acetylarginine_216.12224_217.1293_8.109_ExRate...-ME608134----
Pos_Adenosine_267.09675_268.1038_5.004_ExRate0AdenosineME608135----
Pos_Adenosine_267.09675_268.1038_5.004_ExRate1AdenosineME608136----
Pos_Adenosine_267.09675_268.1038_5.004_ExRate2AdenosineME608137----
Pos_Adenosine_267.09675_268.1038_5.004_ExRate3AdenosineME608138----
Pos_Adenosine_267.09675_268.1038_5.004_ExRate4AdenosineME608139----
Pos_Adenosine_267.09675_268.1038_5.004_ExRate5AdenosineME608140----
Pos_Adenosine_267.09675_268.1038_5.004_ExRate6AdenosineME608141----
Pos_Agmatine_130.12185_131.1291_8.897_ExRate0AgmatineME608142----
Pos_[Alanine_[M+H]+_QNAYBMKLOCPYGJ-REOHCLBHSA-N]_8...AlanineME608242----
Pos_[Alanine_[M+H]+_QNAYBMKLOCPYGJ-REOHCLBHSA-N]_8...AlanineME608243----
Pos_[Alanine_[M+H]+_QNAYBMKLOCPYGJ-REOHCLBHSA-N]_8...AlanineME608244----
Pos_Choline_103.09971_104.1069_5.175_ExRate0CholineME608143----
Pos_DL-Arginine_174.11168_175.1186_9.478_ExRate0ArginineME608146----
Pos_DL-Glutamine_146.06914_147.0763_8.666_ExRate0GlutamineME608147----
Pos_DL-Glutamine_146.06914_147.0763_8.666_ExRate1GlutamineME608148----
Pos_DL-Glutamine_146.06914_147.0763_8.666_ExRate2GlutamineME608149----
Pos_DL-Glutamine_146.06914_147.0763_8.666_ExRate3GlutamineME608150----
Pos_DL-Glutamine_146.06914_147.0763_8.666_ExRate4GlutamineME608151----
Pos_DL-Glutamine_146.06914_147.0763_8.666_ExRate5GlutamineME608152----
Pos_DL-Homoserine_119.05824_120.0654_8.285_ExRate0HomoserineME608153----
Pos_DL-Homoserine_119.05824_120.0654_8.285_ExRate1HomoserineME608154----
Pos_DL-Homoserine_119.05824_120.0654_8.285_ExRate2HomoserineME608155----
Pos_DL-Lysine_146.10553_147.1126_9.556_ExRate0LysineME608156----
Pos_DL-Lysine_146.10553_147.1126_9.556_ExRate1LysineME608157----
Pos_DL-Lysine_146.10553_147.1126_9.556_ExRate2LysineME608158----
Pos_DL-Lysine_146.10553_147.1126_9.556_ExRate3LysineME608159----
Pos_DL-Lysine_146.10553_147.1126_9.556_ExRate4LysineME608160----
Pos_DL-Serine_105.04259_106.0497_8.674_ExRate0SerineME608161----
Pos_DL-Serine_105.04259_106.0497_8.674_ExRate1SerineME608162----
Pos_DL-Serine_105.04259_106.0497_8.674_ExRate2SerineME608163----
Pos_DL-Tryptophan_204.08988_205.0969_6.87_ExRate0TryptophanME608164----
Pos_DL-Tryptophan_204.08988_205.0969_6.87_ExRate7TryptophanME608165----
Pos_DL-Tryptophan_204.08988_205.0969_6.87_ExRate8TryptophanME608166----
Pos_D-(+)-Proline_115.06333_116.0704_7.783_ExRate0D-ProlineME608144----
Pos_D-(+)-Proline_115.06333_116.0704_7.783_ExRate3D-ProlineME608145----
Pos_Guanine_151.04941_152.0566_6.497_ExRate0GuanineME608167----
Pos_Guanine_151.04941_152.0566_6.497_ExRate1GuanineME608168----
Pos_Histamine_111.07965_112.0868_8.272_ExRate0HistamineME608169----
Pos_Histamine_111.07965_112.0868_8.272_ExRate1HistamineME608170----
Pos_L-(+)-Citrulline_175.09569_176.1027_8.839_ExRa...CitrullineME608177----
Pos_L-Cysteine-S-sulfate_200.97656_201.9837_8.024_...Cysteine-S-sulfateME608181----
Pos_L-Cystine_240.02385_241.0309_9.93_ExRate0CystineME608182----
Pos_Leucine_131.09463_132.1017_7.035_ExRate0LeucineME608200----
Pos_L-Glutamic acid_147.05316_148.0603_8.786_ExRat...Glutamic acidME608183----
Pos_L-Glutamic acid_147.05316_148.0603_8.786_ExRat...Glutamic acidME608184----
Pos_L-Glutamic acid_147.05316_148.0603_8.786_ExRat...Glutamic acidME608185----
Pos_L-Glutamic acid_147.05316_148.0603_8.786_ExRat...Glutamic acidME608186----
Pos_L-Glutamic acid_147.05316_148.0603_8.786_ExRat...Glutamic acidME608187----
Pos_L-Glutamic acid_147.05316_148.0603_8.786_ExRat...Glutamic acidME608188----
Pos_L-Histidine_155.06948_156.0766_9.565_ExRate0HistidineME608189----
Pos_L-Isoleucine_131.09463_132.1017_7.219_ExRate0IsoleucineME608190----
Pos_L-(-)-Methionine_149.05105_150.0581_7.447_ExRa...MethionineME608178----
Pos_L-(-)-Methionine_149.05105_150.0581_7.447_ExRa...MethionineME608179----
Pos_L-(-)-Methionine_149.05105_150.0581_7.447_ExRa...MethionineME608180----
Pos_L-Methionine sulfoxide_165.04596_166.0531_8.66...-ME608191----
Pos_L-Methionine sulfoxide_165.04596_166.0531_8.66...-ME608192----
Pos_L-Methionine sulfoxide_165.04596_166.0531_8.66...-ME608193----
Pos_L(+)-Ornithine_132.08988_133.097_9.604_ExRate0OrnithineME608171----
Pos_L(+)-Ornithine_132.08988_133.097_9.604_ExRate2OrnithineME608172----
Pos_L-Phenylalanine_165.07898_166.086_6.896_ExRate...PhenylalanineME608194----
Pos_L-Phenylalanine_165.07898_166.086_6.896_ExRate...PhenylalanineME608195----
Pos_L-Phenylalanine_165.07898_166.086_6.896_ExRate...PhenylalanineME608196----
Pos_L(-)-Pipecolinic acid_129.07898_130.0862_9.556...-ME608173----
Pos_L(-)-Pipecolinic acid_129.07898_130.0862_9.556...-ME608174----
Pos_L(-)-Pipecolinic acid_129.07898_130.0862_9.556...-ME608175----
Pos_L(-)-Pipecolinic acid_129.07898_130.0862_9.556...-ME608176----
Pos_L-Tyrosine_181.07389_182.081_7.707_ExRate0TyrosineME608197----
Pos_L-Tyrosine_181.07389_182.081_7.707_ExRate2TyrosineME608198----
Pos_L-Tyrosine_181.07389_182.081_7.707_ExRate3TyrosineME608199----
Pos_Maltitol_344.12599_367.1209_8.738_ExRate15MaltitolME608201----
Pos_Maltitol_344.12599_367.1209_8.738_ExRate17MaltitolME608202----
Pos_Maltitol_344.12599_367.1209_8.738_ExRate18MaltitolME608203----
Pos_N3,N4-Dimethyl-L-arginine_202.14298_203.1501_8...-ME608212----
Pos_N3,N4-Dimethyl-L-arginine_202.14298_203.1501_8...-ME608213----
Pos_N-Acetylornithine_174.10044_175.1076_8.4_ExRat...N-AcetylornithineME608204----
Pos_N-Acetylornithine_174.10044_175.1076_8.4_ExRat...N-AcetylornithineME608205----
Pos_N-Acetylornithine_174.10044_175.1076_8.4_ExRat...N-AcetylornithineME608206----
Pos_N-Acetylornithine_174.10044_175.1076_8.4_ExRat...N-AcetylornithineME608207----
Pos_N-Acetylornithine_174.10044_175.1076_8.4_ExRat...N-AcetylornithineME608208----
Pos_N-Acetylornithine_174.10044_175.1076_8.4_ExRat...N-AcetylornithineME608209----
Pos_Nicotinamide_122.04801_123.0552_1.732_ExRate0NiacinamideME608220----
Pos_Nicotinamide adenine dinucleotide (NAD+)_663.1...NAD+ME608214----
Pos_Nicotinamide adenine dinucleotide (NAD+)_663.1...NAD+ME608215----
Pos_Nicotinamide adenine dinucleotide (NAD+)_663.1...NAD+ME608216----
Pos_Nicotinamide adenine dinucleotide (NAD+)_663.1...NAD+ME608217----
Pos_Nicotinamide adenine dinucleotide (NAD+)_663.1...NAD+ME608218----
Pos_Nicotinamide adenine dinucleotide (NAD+)_663.1...NAD+ME608219----
Pos_N-Methylaniline_[M+H]+_AFBPFSWMIHJQDM-UHFFFAOY...N-MethylanilineME608210----
Pos_N-Methylaniline_[M+H]+_AFBPFSWMIHJQDM-UHFFFAOY...N-MethylanilineME608211----
Pos_PEG n5_238.14164_239.1488_1.733_ExRate0-ME608221----
Pos_Prolinamide_114.07931_115.0865_7.238_ExRate0-ME608222----
Pos_Prolinamide_114.07931_115.0865_7.238_ExRate2-ME608223----
Pos_Pyridoxamine_168.08988_169.097_8.241_ExRate0PyridoxamineME608224----
Pos_Pyridoxamine_168.08988_169.097_8.241_ExRate1PyridoxamineME608225----
Pos_Pyridoxamine_168.08988_169.097_8.241_ExRate2PyridoxamineME608226----
Pos_Pyridoxamine_168.08988_169.097_8.241_ExRate3PyridoxamineME608227----
Pos_Triethanolamine_149.10519_150.1124_6.591_ExRat...TriethanolamineME608228----
Pos_UDP-N-acetylglucosamine_607.08157_608.0884_9.9...UDP-N-acetylglucosamineME608229----
Pos_UDP-N-acetylglucosamine_607.08157_608.0884_9.9...UDP-N-acetylglucosamineME608230----
Pos_UDP-N-acetylglucosamine_607.08157_608.0884_9.9...UDP-N-acetylglucosamineME608231----
Pos_UDP-N-acetylglucosamine_607.08157_608.0884_9.9...UDP-N-acetylglucosamineME608232----
Pos_UDP-N-acetylglucosamine_607.08157_608.0884_9.9...UDP-N-acetylglucosamineME608233----
Pos_UDP-N-acetylglucosamine_607.08157_608.0884_9.9...UDP-N-acetylglucosamineME608234----
Pos_UDP-N-acetylglucosamine_607.08157_608.0884_9.9...UDP-N-acetylglucosamineME608235----
Pos_UDP-N-acetylglucosamine_607.08157_608.0884_9.9...UDP-N-acetylglucosamineME608236----
Pos_UDP-N-acetylglucosamine_607.08157_608.0884_9.9...UDP-N-acetylglucosamineME608237----
Pos_UDP-N-acetylglucosamine_607.08157_608.0884_9.9...UDP-N-acetylglucosamineME608238----
Pos_UDP-N-acetylglucosamine_607.08157_608.0884_9.9...UDP-N-acetylglucosamineME608239----
Pos_UDP-N-acetylglucosamine_607.08157_608.0884_9.9...UDP-N-acetylglucosamineME608240----
Pos_Valine_117.07898_118.086_7.78_ExRate0ValineME608241----


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
Neg_2-Hydroxy-4-methylpentanoic acid_[M-H]-_LVRFTA...Leucinic acidME608245----
Neg_2-Hydroxy-4-methylpentanoic acid_[M-H]-_LVRFTA...Leucinic acidME608246----
Neg_2-Hydroxy-4-methylpentanoic acid_[M-H]-_LVRFTA...Leucinic acidME608247----
Neg_3-Phenyllactic acid_166.0628_2.249_ExRate0Phenyllactic acidME608248----
Neg_3-Phenyllactic acid_166.0628_2.249_ExRate2Phenyllactic acidME608249----
Neg_3-Phenyllactic acid_166.0628_2.249_ExRate3Phenyllactic acidME608250----
Neg_3-Phenyllactic acid_166.0628_2.249_ExRate4Phenyllactic acidME608251----
Neg_3-Phenyllactic acid_166.0628_2.249_ExRate5Phenyllactic acidME608252----
Neg_3-Phenyllactic acid_166.0628_2.249_ExRate6Phenyllactic acidME608253----
Neg_5-Aminovaleric acid_117.0787_7.79_ExRate05-Aminopentanoic acidME608254----
Neg_5-Aminovaleric acid_117.0787_7.79_ExRate15-Aminopentanoic acidME608255----
Neg_5-Aminovaleric acid_117.0787_7.79_ExRate25-Aminopentanoic acidME608256----
Neg_Azelaic acid_188.1046_1.448_ExRate0Azelaic acidME608257----
Neg_Azelaic acid_188.1046_1.448_ExRate1Azelaic acidME608258----
Neg_Citraconic acid_130.0265_1.682_ExRate0Citraconic acidME608259----
Neg_Citraconic acid_130.0265_1.682_ExRate2Citraconic acidME608260----
Neg_Citraconic acid_130.0265_1.682_ExRate3Citraconic acidME608261----
Neg_Citraconic acid_130.0265_1.682_ExRate4Citraconic acidME608262----
Neg_Citraconic acid_130.0265_1.682_ExRate5Citraconic acidME608263----
Neg_D-Glucose 6-phosphate_260.0294_9.541_ExRate0Glucose 6-phosphateME608264----
Neg_D-Glucose 6-phosphate_260.0294_9.541_ExRate1Glucose 6-phosphateME608265----
Neg_D-Glucose 6-phosphate_260.0294_9.541_ExRate2Glucose 6-phosphateME608266----
Neg_D-Glucose 6-phosphate_260.0294_9.541_ExRate3Glucose 6-phosphateME608267----
Neg_D-Glucose 6-phosphate_260.0294_9.541_ExRate4Glucose 6-phosphateME608268----
Neg_D-Glucose 6-phosphate_260.0294_9.541_ExRate5Glucose 6-phosphateME608269----
Neg_DL-Tryptophan_204.0896_6.867_ExRate0TryptophanME608270----
Neg_DL-Tryptophan_204.0896_6.867_ExRate1TryptophanME608271----
Neg_DL-Tryptophan_204.0896_6.867_ExRate2TryptophanME608272----
Neg_Dodecyl sulfate_266.1549_1.118_ExRate0Blasticidin SME608273----
Neg_Dodecyl sulfate_266.1549_1.118_ExRate1Blasticidin SME608274----
Neg_Dodecyl sulfate_266.1549_1.118_ExRate2Blasticidin SME608275----
Neg_Fumaric acid_116.0107_1.713_ExRate0Fumaric acidME608276----
Neg_Fumaric acid_116.0107_1.713_ExRate1Fumaric acidME608277----
Neg_Glutaric acid_132.0421_2.865_ExRate0Glutaric acidME608278----
Neg_Guanine_151.0492_6.5_ExRate0GuanineME608279----
Neg_Isoleucine_131.0943_7.219_ExRate0IsoleucineME608280----
Neg_Isoleucine_131.0943_7.219_ExRate1IsoleucineME608281----
Neg_Isoleucine_131.0943_7.219_ExRate2IsoleucineME608282----
Neg_Isophthalic acid_166.0264_1.78_ExRate0-ME608283----
Neg_Isophthalic acid_166.0264_1.78_ExRate1-ME608284----
Neg_Isophthalic acid_166.0264_1.78_ExRate2-ME608285----
Neg_Isophthalic acid_166.0264_1.78_ExRate8-ME608286----
Neg_L-Cystine_240.0236_9.945_ExRate0CystineME608287----
Neg_L-Cystine_240.0236_9.945_ExRate1CystineME608288----
Neg_Leucine_131.0943_7.039_ExRate0LeucineME608297----
Neg_Leucine_131.0943_7.039_ExRate2LeucineME608298----
Neg_L-Histidine_155.0692_9.495_ExRate0HistidineME608289----
Neg_L-Histidine_155.0692_9.495_ExRate1HistidineME608290----
Neg_L-Histidine_155.0692_9.495_ExRate2HistidineME608291----
Neg_L-Phenylalanine_165.0787_6.898_ExRate0PhenylalanineME608292----
Neg_L-Phenylalanine_165.0787_6.898_ExRate1PhenylalanineME608293----
Neg_L-Phenylalanine_165.0787_6.898_ExRate2PhenylalanineME608294----
Neg_L-Tyrosine_181.0737_7.698_ExRate0TyrosineME608295----
Neg_L-Tyrosine_181.0737_7.698_ExRate1TyrosineME608296----
Neg_[N-Acetylglutamic acid_[M-H]-_RFMMMVDNIPUKGG-Y...N-Acetylglutamic acidME608338----
Neg_N-Acetylleucine; [M-H]-; HCD (NCE 20-30-40%)_1...N-AcetylleucineME608302----
Neg_N-Acetylleucine; [M-H]-; HCD (NCE 20-30-40%)_1...N-AcetylleucineME608303----
Neg_N-Acetylleucine; [M-H]-; HCD (NCE 20-30-40%)_1...N-AcetylleucineME608304----
Neg_N-Acetyl-L-methionine_191.0614_3.162_ExRate0N-AcetylmethionineME608299----
Neg_N-Acetyl-L-methionine_191.0614_3.162_ExRate1N-AcetylmethionineME608300----
Neg_N-Acetyl-L-methionine_191.0614_3.162_ExRate2N-AcetylmethionineME608301----
Neg_N-Acetylvaline_159.0893_2.433_ExRate0N-AcetylvalineME608305----
Neg_N-Acetylvaline_159.0893_2.433_ExRate1N-AcetylvalineME608306----
Neg_N-Acetylvaline_159.0893_2.433_ExRate2N-AcetylvalineME608307----
Neg_Ornithine_132.0896_9.477_ExRate0OrnithineME608308----
Neg_Ornithine_132.0896_9.477_ExRate1OrnithineME608309----
Neg_Ornithine_132.0896_9.477_ExRate2OrnithineME608310----
Neg_Orotic acid_156.0169_7.419_ExRate0Orotic acidME608311----
Neg_Orotic acid_156.0169_7.419_ExRate1Orotic acidME608312----
Neg_Orotic acid_156.0169_7.419_ExRate2Orotic acidME608313----
Neg_[Pantothenic acid_[M-H]-_GHOKWGTUZJEAQD-ZETCQY...Pantothenic acidME608339----
Neg_Pimelic acid_160.0734_1.786_ExRate0Pimelic acidME608314----
Neg_Suberic acid_174.089_1.606_ExRate0Suberic acidME608315----
Neg_Thymidine_242.0901_2.694_ExRate0ThymidineME608316----
Neg_Thymidine_242.0901_2.694_ExRate1ThymidineME608317----
Neg_Thymidine_242.0901_2.694_ExRate2ThymidineME608318----
Neg_Thymidine_242.0901_2.694_ExRate3ThymidineME608319----
Neg_Thymidine_242.0901_2.694_ExRate4ThymidineME608320----
Neg_Thymidine_242.0901_2.694_ExRate5ThymidineME608321----
Neg_Thymidine_242.0901_2.694_ExRate6ThymidineME608322----
Neg_UDP-N-acetylglucosamine_607.0818_9.94_ExRate0UDP-N-acetylglucosamineME608323----
Neg_UDP-N-acetylglucosamine_607.0818_9.94_ExRate1UDP-N-acetylglucosamineME608324----
Neg_UDP-N-acetylglucosamine_607.0818_9.94_ExRate10UDP-N-acetylglucosamineME608325----
Neg_UDP-N-acetylglucosamine_607.0818_9.94_ExRate11UDP-N-acetylglucosamineME608326----
Neg_UDP-N-acetylglucosamine_607.0818_9.94_ExRate12UDP-N-acetylglucosamineME608327----
Neg_UDP-N-acetylglucosamine_607.0818_9.94_ExRate13UDP-N-acetylglucosamineME608328----
Neg_UDP-N-acetylglucosamine_607.0818_9.94_ExRate2UDP-N-acetylglucosamineME608329----
Neg_UDP-N-acetylglucosamine_607.0818_9.94_ExRate4UDP-N-acetylglucosamineME608330----
Neg_UDP-N-acetylglucosamine_607.0818_9.94_ExRate5UDP-N-acetylglucosamineME608331----
Neg_UDP-N-acetylglucosamine_607.0818_9.94_ExRate6UDP-N-acetylglucosamineME608332----
Neg_UDP-N-acetylglucosamine_607.0818_9.94_ExRate7UDP-N-acetylglucosamineME608333----
Neg_UDP-N-acetylglucosamine_607.0818_9.94_ExRate8UDP-N-acetylglucosamineME608334----
Neg_UDP-N-acetylglucosamine_607.0818_9.94_ExRate9UDP-N-acetylglucosamineME608335----
Neg_Uracil_112.0271_2.425_ExRate0UracilME608336----
Neg_Uracil_112.0271_2.425_ExRate2UracilME608337----


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