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Analysis: HILIC UNSPECIFIED ION MODE

SelectMetabolite Name RefMet Name/Standardized Name* WorkBench
Metabolite_ID		 PubChem
Compound_ID		 Kegg Id Retention
time/index		 m/z ratio
2-hydroxyglutarate2-Hydroxyglutaric acidME63929443C0263010.2147.0299
alpha-keto-isovalerateKetoisovaleric acidME63932049C001412.85115.0401
Alpha-Ketoglutarate2-Oxoglutaric acidME63932151C0002613.17145.0143
2-oxobutyric_acid_unc3-Methyl pyruvic acidME63929658C001093.73101.0244
2-oxoadipate_uncOxoadipic acidME63929571C003229.8159.0299
acetoacetateAcetoacetic acidME63930496C001644.23101.0244
3-ureidopropionateUreidopropionic acidME639302111C026427.85133.0608
adenineAdenineME639312190C001474.51136.0618
allantoinAllantoinME639319204C015518.27157.0367
anthranilic_acid2-Aminobenzoic acidME639326227C001084136.0404
beta-alaninebeta-AlanineME639336239C000999.4590.055
betaineBetaineME639337247C007195.94118.0863
cholineCholineME639346305C001149.04104.107
citrateCitric acidME639348311C0015812.2191.0197
1-methylnicotinamide1-Methyl nicotinamideME639291457C0291812.02137.0709
malateMalic acidME639435525C0366810.81133.0143
creatineCreatineME639353586C003008.78132.0768
phosphocreatinePhosphocreatineME639466587C023059.85212.0431
creatinineCreatinineME639354588C007914.56114.0662
cytosine_uncCytosineME639366597C003805.88112.0505
dihydroorotate_unc-ME639370648C003377.33159.04
dihydroxyacetone_phosphateDihydroxyacetone phosphateME639371668C0011110.44168.9908
dimethylglicineDimethylglycineME639372673C010266.9104.071
3-phosphoglycerate3-Phosphoglyceric acidME639301724C0059711.26184.9857
glyceraldehyde_3-phosphateGlyceraldehyde 3-phosphateME639393729C0011811.35168.9908
glycineGlycineME639397750C000379.7476.0393
guanidinoacetateGuanidoacetic acidME639407763C005819.6118.0611
guanineGuanineME639408764C002426.9152.0567
hypoxanthineHypoxanthineME639420790C002625.19137.0458
Itaconic AcidItaconic acidME639427811C0049010.1129.0193
PipecolatePipecolic acidME639471849C004086.8130.0863
Alpha-Lipoic Acid_uncLipoic acidME639322863C002482.8205.0362
niacinamideNiacinamideME639454936C001533.03123.0553
Nicotinic AcidNicotinic acidME639455938C002534.2124.0393
orotateOrotic acidME639458967C002956.1155.0098
p-aminobenzoatep-Aminobenzoic acidME639459978C005686.29136.04
palmitatePalmitic acidME639460985C002492.05255.233
phosphoenolpyruvatePhosphoenolpyruvic acidME6394671005C0007411.8166.9751
phosphocholineCholine phosphateME6394651014C0058810.17184.0733
O-phosphoethanolamine_uncPhosphoethanolamineME6394561015C0034610.67140.012
phosphoethanolaminePhosphoethanolamineME6394681015C0034610.67140.012
PicolinatePicolinic acidME6394701018C101644.36124.039
PyridoxalPyridoxalME6394771050C002503.76168.065
PyridoxinePyridoxineME6394781054C003143.64170.081
pyruvatePyruvic acidME6394791060C000224.387.0088
quinolinic_acidQuinolinic acidME6394801066C0372210.38166.01458
sarcosine_unc-ME6394881088C002138.4890.055
succinateSuccinic acidME6394941110C0004210.19117.0193
taurineTaurineME6394961123C002459.26124.0074
thiamineThiamineME6394971130C003786.64263.0972
tryptamineTryptamineME6395021150C0039811.4161.10732
uracilUracilME6395101174C001064.15111.02
uric acidUric acidME6395121175C003667.97167.0211
trans-urocanateUrocanic acidME6395011178NA6.53139.05
xanthineXanthineME6395171188C003857.15151.0262
isocitrate_uncIsocitric acidME6394241198C0031114.13191.01973
HIAA-ME6394101826C056358.44192.06552
Kynurenic AcidKynurenic acidME6394283845C017173.2190.0499
serotoninSerotoninME6394925202C0078014.04177.10224
sorbitolSorbitolME6394935780C007948.2181.0718
thymidineThymidineME6395005789C002143.06241.08299
glucoseGlucoseME6393885793C002219.04179.0561
hydroxyproline_gammaALA-ME6394185810C011578.9130.05097
cysteine_13C3_15N1CysteineME6393605862C000973.8122.02703
NADPNADPME6394525886C0000611.14744.0827
NAD+NADME6394505893C000039.34664.1164
alanineAlanineME6393175950C000419.0290.055
serineSerineME6394905951C000659.59106.0499
ATPATPME6393355957C0000210.85505.9885
Glucose 6-phosphateGlucose 6-phosphateME6393895958C0009211.28259.0224
aspartateAspartic acidME6393325960C000499.93132.0302
glutamineGlutamineME6393925961C000649.15147.0764
lysineLysineME6394335962C0004713.89147.1128
inosineInosineME6394236021C002946.05269.0881
ADPADPME6393146022C0000810426.0221
uridineUridineME6395136029C002994.81243.0623
UMPUMPME6395096030C0010510.15323.0286
UDPUDPME6395066031C0001511.09402.99492
folic_acidFolic acidME6393796037C0050411.4442.147
tyrosineTyrosineME6395046057C000827.58182.0812
cAMP_unc3',5' cyclic AMPME6393416076C005755.24330.0598
AMPAMPME6393246083C000209.3346.0558
leucineLeucineME6394316106C001235.48132.1019
CMPCMPME6393506131C0005510.6322.0446
CDPCDPME6393446132C0011211.84402.0109
UTPUTPME6395146133C0007512.13482.9613
methionineMethionineME6394386137C000736.12150.0583
phenylalaninePhenylalanineME6394636140C000794.7164.0717
CTPCTPME6393556176C0006313481.9772
N-acetylmethionineN-AcetylmethionineME6394476180C027123192.0689
cytidineCytidineME6393656253C004756.4244.0928
ornithineOrnithineME6394576262C0007712.58133.0972
asparagineAsparagineME6393316267C001529.32133.0608
histidineHistidineME6394116274C001358.94156.0768
valineValineME6395156287C001837118.0863
threonineThreonineME6394986288C001888.61120.0655
tryptophanTryptophanME6395036305C000786.16205.0972
isoleucineIsoleucineME6394256306C004075.88132.1019
arginineArginineME6393276322C0006214.23175.119
PantothenatePantothenic acidME6394616613C008645.3220.118
guanosineGuanosineME6394096802C003877.23284.0989
GMPGMPME6393996804C0014411.21362.0507
GTPGTPME6394066830C0004412.93521.9834
PRPP_uncPhosphoribosyl pyrophosphateME6394757339C0011913.21388.9445
IMPIMPME6394218582C0013010.43349.054
GDPGDPME6393878977C0003512.4442.017
dTMPdTMPME6393739700C003648.54321.0493
citrullineCitrullineME6393499750C003279.73176.103
Fructose 1,6-bisphosphateFructose 1,6-bisphosphateME63938210267C0537812.12341.0033
malonyl-CoAMalonyl-CoAME63943610663C0318810.77854.12288
carnitineCarnitineME63934210917C003187.68162.1125
acetylglycineN-AcetylglycineME63931010972NA5.75116.0348
2-hydroxybutyric_acid2-Hydroxybutyric acidME63929311266C059844.1103.0401
N-acetylcysteineN-AcetylcysteineME63944312035C068094.3162.0231
dCytidineDeoxycytidineME63936913711C008815.15228.098
CDP-cholineCDP-cholineME63934513804C0030710.01490.1173
pseudouridine_unc-ME63947615047C020676.91243.0623
dATPdATPME63936715993C0013110.25492.0081
argininosuccinate_unc-ME63932916950C0340611.47291.1299
mannoseMannoseME63943718950C009368.4179.056
S-methylcysteine_uncMethylcysteineME63948624417C220406.69136.0427
cysteic_acidCysteic acidME63935925701C0050610.48167.99722
glutamateGlutamic acidME63939033032C000259.78146.0459
ADP-ribose_uncADP-riboseME63931533576C0030110.47558.0644
S-Adenosyl-L-methionineS-AdenosylmethionineME63948534756C000199.94399.1445
adenosine_uncAdenosineME63931360961C002124.1268.104
xanthosine_uncXanthosineME63951864959C017627.8283.0684
dTTPdTTPME63937464968C0045911.4480.982
dUMPdUMPME63937565063C003659.64307.0337
acetylaspartateN-Acetylaspartic acidME63930765065C010429.9176.055
homocitrullineHomocitrullineME63941465072C024279.4190.119
dCTPdCTPME63936865091C0045811.47465.98232
AICARAICARME63931665110C0467710.35337.0555
acetylserineO-AcetylserineME63931165249NA6.56146.0459
GSSGOxidized glutathioneME63940465359C0012711.95613.1592
F6P_G1P_unc-ME63937765533C0010310.6259.0224
cystineCystineME63936367678C0049110.4241.0311
phosphoserinePhosphoserineME63946968841C0100511.28184.0017
Glycerophosphocholinesn-Glycero-3-phosphocholineME63939671920C006708.75258.1101
N-acetylphenylalanineN-AcetylphenylalanineME63944974839C035192.34208.0968
2-aminobutyric_acid2-Aminobutyric acidME63929280283C023567.96104.071
Coenzyme ACoenzyme AME63935287642C000108.9768.1225
acetylalanineN-AcetylalanineME63930688064NA4.7132.066
6-phosphogluconate6-Phosphogluconic acidME63930391493C0034512.58275.0174
homocysteineHomocysteineME63941691552C001557.45136.0427
Phenylacetyl glutaminealpha-N-PhenylacetylglutamineME63946292258C041483265.1183
N-acetyllysineN(2)-AcetyllysineME63944692832C027277.58189.12337
Ureidosuccinic_acidN-Carbamoylaspartic acidME63951193072C0043811.24175.036
lactic_acidLactic acidME639430107689C001865.4689.0244
propionylcarnitineCAR 3:0ME639474107738C030174.74218.1387
hypotaurineHypotaurineME639419107812C005199.12110.027
anserine_uncAnserineME639325112072C012628.61241.1295
erythrose_4-phosphate_unc-ME639376122357C0027911.35199.0013
asymmetric dimethylarginine (ADMA)DimethylarginineME639334123831C0362611.75203.151
prolineProlineME639472145742C001487.23116.0706
Methionine sulfoxideMethionine sulfoxideME639439158980C029897.98166.0531
saccharopine_uncSaccharopineME639487160556C0044910.54277.1394
kynurenineKynurenineME639429161166C003285.26209.0921
Homocysteine sulfinic acidHomocysteinesulfinic acidME639417161712NA9.86166.01795
biotinBiotinME639338171548C001204.49245.095
homocysteic_acidHomocysteic acidME639415177491C1651112.72182.01287
N-acetylglutamineN-AcetylglutamineME639445182230NA6.29189.087
2,3-BPG_unc-ME639297186004C0115912.7264.952
gamma-aminobutyric_acidgamma-Aminobutyric acidME639384223130C003349.43104.071
S-Adenosyl-L-HomocysteineS-AdenosylhomocysteineME639484439155C000217.8385.1289
succinyl-CoASuccinyl-CoAME639495439161C0009110.34868.1385
Glycerol 3-Phosphatesn-Glycero-3-phosphateME639395439162C000939.86173.021
methylthioadenosineMethylthioadenosineME639441439176C001702.72298.0968
glycerateGlyceric acidME639394439194C002587.46105.0193
carnosineCarnosineME639343439224C003869.44227.1139
N-acetylornithineN-AcetylornithineME639448439232C004379.65175.1077
Ribose 1-phosphate_uncRibose 1-phosphateME639482439236C0062010.37229.0119
cystathionineCystathionineME639358439258C0229110.91223.0747
cysteine-glycineCys-GlyME639362439498C014196.6179.048
fructoseFructoseME639381439709C023367.86179.05611
formyl_methionineN-FormylmethionineME639380439750C031453.3176.0387
ButyrylcarnitineCAR 4:0ME639339439829C028623.54232.1543
Ribose_Ribulose 5-phosphate_3Me-Lys-ME639483440101C0011710.54229.0119
3-hydroxyisobutyric_acid3-Hydroxyisobutyric acidME639299440873C060015.5103.0401
Acetyl CoAAcetyl-CoAME639305444493C000248.17810.133
fumarateFumaric acidME639383444972C0012210.64115.0037
UDP-GlcNAcUDP-N-acetylglucosamineME639507445675C0004310.1608.0888
RiboflavinRiboflavinME639481493570C002553.49377.116
cis-aconitatecis-Aconitic acidME639347643757C0041712.15173.0092
FADFADME639378643975C000167.14784.1499
indolelactateIndolelactic acidME639422676157C020433.85206.081
GARGARME6393865459918C0383811.21285.0493
acetylcarnitineCAR 2:0ME6393087045767C025715.56204.123
ascorbate_uncVitamin CME63933054670067C010419.56175.0248
Sedoheptulose-7-phosphateSedoheptulose 7-phosphateME63948992042786C0538211.04289.033
3-hydroxybutyric_acid3-Hydroxybutyric acidME639298--4.9103.0401
3-methyl-2-oxopentanoic_acid3-Methyl-2-oxovaleric acidME639300--2.49129.0557
acetylglutamateN-Acetylglutamic acidME639309--9.93190.071
alanine-13C3-15NAlanineME639318--9.0294.0621
amidoadipate-ME639323--10.06162.076
arginine-13C6-15N4ArginineME639328--14.23185.1273
aspartate-13C6-15N4Aspartic acidME639333--9.93137.0407
C5 Carnitines-ME639340--3.26246.17
CoA-Ellmans_unc-ME639351--10963.0866
Cys_Ell-ME639356--8.2316.9912
Cys_Gly_Ell-ME639357--9374.0126
cysteine_unc-ME639361--3.8126.03413
cystine-13C6-15N2CystineME639364--10.4249.04532
gamma-glutamyl-alaninegamma-GlutamylalanineME639385--9.53219.098
glutamate-13C5,15NGlutamic acidME639391--9.78152.0597
glycine_13C2-15NGlycineME639398--9.779.043
GSHGlutathioneME639400--9.59308.0911
GSH-13C2_15NGlutathioneME639403--9.6509.08093
GSH_13C2-15N-EllmansGlutathioneME639401--10506.058
GSH_EllmansGlutathioneME639402--10503.0552
GSSG-13C4_15N2Oxidized glutathioneME639405--11.9619.16673
histidine-13C6-15N3HistidineME639412--8.94165.088
HoCy_Ell-ME639413----
Isoleucine-13C6-15NIsoleucineME639426--5.88139.1191
leucine-13C6-15NLeucineME639432--5.48139.1191
lysine-13C6-15N2LysineME639434--13.89155.127
methionine-13C5-15NMethionineME639440--6.1156.0721
myo-inositolMyo-inositolME639442-C0013710.8179.056
N-acetylglutamateN-Acetylglutamic acidME639444--9.93190.071
NADHNADHME639451--8.85666.13205
NADPHNADPHME639453--11.44746.0984
phenylalanine-13C9-15NPhenylalanineME639464--4.7176.1135
proline-13C5-15NProlineME639473--7.28122.0844
serine-13C3-15NSerineME639491--9.59110.057
threonine-13C4-15NThreonineME639499--8.61125.076
tyrosine-13C9-15NTyrosineME639505--7.58192.1084
UDP-hexoseUDP-hexoseME639508--11.08565.0478
valine-13C5-15NValineME639516--7.01124.1001


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