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Analysis: None (Direct infusion) UNSPECIFIED ION MODE

SelectMetabolite Name RefMet Name/Standardized Name* WorkBench
Metabolite_ID
PubChem
Compound_ID
Kegg Id Retention
time/index
m/z ratio
1H-Imidazole-4-propionic acid-ME32713510105257--141.066
1-Methyl-4-imidazoleacetic acidMethylimidazoleacetic acidME32713375810--141.066
1-Methylhistidine and/or 3-Methylhistidine-ME327134---170.093
2,6-Diaminopimelic acid2,6-Diaminopimelic acidME327138439283--191.103
2-(Creatinine-3-yl)propionic acid-ME327139---186.088
2'-DeoxycytidineDeoxycytidineME32713613711--228.099
2'-DeoxyguanosineDeoxyguanosineME327137187790--268.105
2-Hydroxy-4-methylvaleric acidLeucinic acidME327273439960--131.072
2-Hydroxyglutaric acid2-Hydroxyglutaric acidME32727443--147.03
2-Hydroxyvaleric acid2-Hydroxyvaleric acidME32727598009--117.055
3'-CMP and/or 2'-CMP-ME327276---322.047
3-Hydroxybutyric acid3-Hydroxybutyric acidME327277441--103.04
3-Indoxylsulfuric acidIndoxyl sulfateME32727810258--212.003
3-Methylguanine3-MethylguanineME32714076292--166.073
3-Ureidopropionic acidUreidopropionic acidME327279111--131.047
4-Acetamidobutanoic acid4-Acetamidobutanoic acidME32728018189--144.065
4-Methyl-2-oxovaleric acid and/or 3-Methyl-2-oxova...-ME327281---129.055
4-Pyridoxic acid4-Pyridoxic acidME3272826723--182.046
4-(β-Acetylaminoethyl)imidazoleN-AcetylhistamineME32714169602--154.097
5,6,7,8-Tetrahydrobiopterin-ME32714244257--242.127
5-Aminovaleric acid5-Aminopentanoic acidME327143138--118.087
5-Hydroxylysine5-HydroxylysineME3271443032849--163.108
5-Methylcytosine5-MethylcytosineME32714565040--126.067
5-OxoprolinePyroglutamic acidME3272837405--128.036
7,8-Dihydrobiopterin-ME327146119055--240.111
7-Methylguanine7-MethylguanineME32714711361--166.072
8-Hydroxyoctanoic acid and/or 2-Hydroxyoctanoic ac...-ME327284---159.103
AdenineAdenineME327148190--136.063
AdenosineAdenosineME32714960961--268.105
ADMADimethylarginineME327150123831--203.151
ADPADPME3272856022--426.023
ADP-riboseADP-riboseME327286445794--558.064
AlaAlanineME327151602--90.056
Allantoic acidAllantoic acidME327287203--175.046
AllantoinAllantoinME327152204--159.052
AMPAMPME3272886083--346.056
ArgArginineME3271536322--175.12
Arg-GluArg-GluME3271540--304.164
Argininosuccinic acidArgininosuccinic acidME32715516950--291.131
Ascorbate 2-sulfate-ME32728954676864--254.981
AsnAsparagineME327156236--133.061
AspAspartic acidME327157424--134.045
Azelaic acidAzelaic acidME3272902266--187.098
BetaineBetaineME327158247--118.087
Betaine aldehyde_+H2O-ME327159249--120.102
BiopterinBiopterinME3271602380--238.095
CadaverineCadaverineME327161273--103.123
Carboxymethyllysine-ME327162123800--205.12
CarnitineCarnitineME32716385--162.114
cGMP3',5' cyclic GMPME32729124316--344.038
CholineCholineME327164305--104.108
Citric acidCitric acidME327292311--191.02
CitrullineCitrullineME3271659750--176.104
CMPCMPME3272936131--322.046
CMP-N-acetylneuraminateCytidine monophosphate N-acetylneuraminic acidME327294448209--613.144
CreatineCreatineME327166586--132.077
CreatinineCreatinineME327167588--114.066
CysCysteineME327168594--122.028
Cys-GlyCys-GlyME327169439498--179.049
Cysteic acidCysteic acidME32729572886--167.998
Cysteine glutathione disulfideCysteine-glutathione disulfideME32717010455148--427.098
Cysteinesulfinic acid3-Sulfino-alanineME3272961549098--152.004
CystineCystineME327171595--241.033
CytidineCytidineME3271726175--244.095
CytosineCytosineME327173597--112.052
Daminozide, Ala-Ala-ME327174---161.093
dAMPdAMPME32729712599--330.062
dCMPdCMPME32729813945--306.05
DesthiobiotinDethiobiotinME327299643--213.126
DiethanolamineDiethanolamineME3271758113--106.087
Diethylaminomalonic acid-ME32717681272--176.093
Digalacturonic acidDigalacturonic acidME327300439694--369.068
Diphenylcarbazide-ME3271778789--243.124
dTMPdTMPME3273019700--321.05
DyphyllineDyphyllineME3271783182--255.107
EthanolamineEthanolamineME327179700--62.061
Ethanolamine phosphatePhosphoethanolamineME3273021015--140.011
Ethyl glucuronideEthyl glucuronideME32730318392195--221.068
Formiminoglutamic acidFormiminoglutamic acidME327304439233--173.056
Fructose 6-phosphateFructose 6-phosphateME327305603--259.023
Fumaric acidFumaric acidME327306444972--115.003
GABAgamma-Aminobutyric acidME327180119--104.071
Galactosamine and/or Glucosamine-ME327181---180.087
Galacturonic acid-3Galacturonic acidME327307439215--193.036
GlnGlutamineME327182738--147.077
GluGlutamic acidME327183611--148.061
Glucaric acidGlucaric acidME32730833037--209.03
Gluconic acidGluconic acidME32730910690--195.051
GluconolactoneGluconolactoneME3271857027--179.056
Glucose 1-phosphateGlucose 1-phosphateME32731065533--259.025
Glucose 6-phosphateGlucose 6-phosphateME3273115958--259.022
Glucuronic acid-1 and/or Galacturonic acid-1-ME327312---193.035
Glucuronic acid-2 and/or Galacturonic acid-2-ME327313---193.035
Glu-GluGlu-GluME327184439500--277.105
Glutathione (GSH)GlutathioneME327186124886--308.093
Glutathione (GSSG)_divalentOxidized glutathioneME32718765359--307.085
GlyGlycineME327188750--76.04
Gly-AspGly-AspME32718997363--191.067
Glyceric acidGlyceric acidME327314439194--105.019
GlycerolGlycerolME327191753--93.055
Glycerol 3-phosphatesn-Glycero-3-phosphateME327315439162--171.006
Glycerophosphocholinesn-Glycero-3-phosphocholineME327192439285--258.111
Gly-GlyGly-GlyME32719011163--133.061
Glyoxylic acidGlyoxylic acidME327316760--72.994
GMPGMPME3273176804--362.052
GuanineGuanineME327193764--152.06
GuanosineGuanosineME3271946802--284.101
Hexanoic acidCaproic acidME3273188892--115.077
HisHistidineME327195773--156.078
His-GluHis-GluME3271967010583--285.12
Homovanillic acidHomovanillic acidME3273191738--181.051
Hydroxyprolinecis-3-HydroxyprolineME3271975810--132.067
HypotaurineHypotaurineME327198107812--110.028
HypoxanthineHypoxanthineME327199790--137.047
IleIsoleucineME327200791--132.103
IMPIMPME3273208582--347.04
InosineInosineME3272016021--269.089
Isethionic acid2-HydroxyethanesulfonateME3273217866--124.991
Isobutyric acid and/or Butyric acid-ME327322---87.045
Isocitric acidIsocitric acidME3273231198--191.02
Isoglutamic acidIsoglutamic acidME32720273064--148.061
Isovaleric acid and/or Valeric acid-ME327324---101.061
Isovalerylalanine and/or N-Acetylleucine-ME327325---172.097
Lactic acidLactic acidME327326612--89.025
Lauric acidLauric acidME3273273893--199.171
LeuLeucineME327203857--132.103
LysLysineME327204866--147.114
Malic acidMalic acidME327328525--133.014
Mannosamine2-Amino-2-deoxy-D-mannoseME327205440049--180.088
MetMethionineME327206876--150.059
Methionine sulfoxideMethionine sulfoxideME327207158980--166.053
Mevalonic acidMevalonic acidME327329134965--147.065
Mucic acidGalactaric acidME3273303037582--209.03
myo-Inositol 1-phosphate and/or myo-Inositol 3-pho...-ME327331---259.023
myo-Inositol 2-phosphatemyo-Inositol 2-phosphateME327332160886--259.024
N1-AcetylspermineN1-AcetylspermineME327215916--245.233
N1,N8-DiacetylspermidineN1,N8-DiacetylspermidineME327214389613--230.186
N2-SuccinylornithineN2-SuccinylornithineME327216127370--233.115
N6-Methyladenine-ME32721867955--150.077
N6,N6,N6-TrimethyllysineN-6-TrimethyllysineME327217440120--189.161
N8-AcetylspermidineN8-AcetylspermidineME327219123689--188.177
N-AcetylalanineN-AcetylalanineME32733388064--130.051
N-AcetylasparagineN-AcetylasparagineME32733499715--173.057
N-Acetylaspartic acidN-Acetylaspartic acidME32733565065--174.041
N-AcetylcysteineN-AcetylcysteineME32733612035--162.023
N-Acetylgalactosamine, N-Acetylmannosamine and/or ...-ME327208---222.099
N-Acetylglucosamine 1-phosphateN-Acetyl-D-glucosamine 1-phosphateME327337440272--300.049
N-Acetylglutamic acidN-Acetylglutamic acidME32733870914--188.057
N-AcetylglutamineN-AcetylglutamineME32733925561--187.073
N-AcetylglycineN-AcetylglycineME32734010972--116.036
N-AcetylhistidineN-AcetylhistidineME32720975619--198.088
N-Acetyllysine-ME32721092907--189.125
N-AcetylmethionineN-AcetylmethionineME327341448580--190.054
N-Acetylmuramic acidN-Acetylmuramic acidME3273425462244--292.105
N-Acetylneuraminic acidN-Acetylneuraminic acidME327343439197--308.099
N-AcetylornithineN-AcetylornithineME327211439232--175.108
N-AcetylphenylalanineN-AcetylphenylalanineME32734474839--206.083
N-AcetylputrescineN-AcetylputrescineME327212122356--131.119
N-AcetylserineN-AcetylserineME32721365249--148.061
NAD+NAD+ME3273485893--662.103
N-Carbamoylaspartic acidN-Carbamoylaspartic acidME32734593072--175.037
N-FormylmethionineN-FormylmethionineME327346439750--176.039
N-Glycolylneuraminic acidN-Glycolylneuraminic acidME327347440001--324.095
NicotinamideNiacinamideME327220936--123.056
Nicotinic acidNicotinic acidME327221938--124.04
NMNNicotinamide ribotideME32722214180--335.065
O-AcetylcarnitineCAR(2:0)ME327223439756--204.124
o-Coumaric acid and/or p-Coumaric acid-ME327349---163.04
Ophthalmic acidOphthalmic acidME3272247018721--290.137
OrnithineOrnithineME327225389--133.098
O-Succinylhomoserineo-SuccinylhomoserineME327350439406--218.067
Oxamic acidOxamic acidME327351974--88.004
Pantothenic acidPantothenic acidME3273536613--218.104
Pelargonic acidPelargonic acidME3273548158--157.125
PhePhenylalanineME327226994--166.087
PhosphorylcholineCholine phosphateME3272271014--184.075
p-Hydroxyphenylacetic acidp-Hydroxyphenylacetic acidME327352127--151.041
ProProlineME327228614--116.071
Propionic acidPropionic acidME3273551032--73.029
PutrescinePutrescineME3272291045--89.108
PyridoxaminePyridoxamineME3272301052--169.098
PyridoxinePyridoxineME3272311054--170.082
Pyruvic acidPyruvic acidME3273561060--87.009
Quinic acidQuinic acidME3273576508--191.056
Quinolinic acidQuinolinic acidME3273581066--166.014
Ribose 5-phosphateRibose 5-phosphateME327359439167--229.012
Ribulose 5-phosphateRibulose 5-phosphateME327360439184--229.012
S-AdenosylmethionineS-AdenosylmethionineME32723234755--399.145
SarcosineSarcosineME3272351088--90.056
Sedoheptulose 7-phosphateSedoheptulose 7-phosphateME327362165007--289.033
SerSerineME327236617--106.051
Ser-GluSer-GluME3272370--235.094
S-LactoylglutathioneS-LactoylglutathioneME327233440018--380.116
S-MethylmethionineS-MethylmethionineME327234145692--164.074
SpermidineSpermidineME3272381102--146.166
SpermineSpermineME3272391103--203.224
S-SulfocysteineCysteine-S-sulfateME327361115015--199.969
StachydrineStachydrineME327240115244--144.103
Suberic acidSuberic acidME32736310457--173.083
Succinic acidSuccinic acidME3273641110--117.019
TaurineTaurineME3272411123--126.023
Terephthalic acidTerephthalic acidME3273657489--165.019
ThiamineThiamineME3272421130--265.112
Thiamine phosphateTMPME3272431131--345.08
Thiaproline-ME3272449934--134.028
ThrThreonineME3272456288--120.066
Thr-AspThr-AspME3272463280446--235.094
Threonic acidThreonic acidME3273665460407--135.03
ThymidineThymidineME3272475789--243.1
TriethanolamineTriethanolamineME3272487618--150.114
TrimethylamineTrimethylamineME3272491146--60.081
Trimethylamine N-oxideTrimethylamine N-oxideME3272501145--76.076
TrpTryptophanME3272511148--205.098
TyrTyrosineME3272521153--182.082
TyramineTyramineME3272545610--138.093
Tyr-GluTyr-GluME3272530--311.126
Tyrosine methyl esterMethyl tyrosinateME32725570652--196.098
UDP-glucose and/or UDP-galactose-ME327367---565.049
UDP-N-acetylgalactosamine and/or UDP-N-acetylgluco...-ME327368---606.075
UMPUMPME3273696030--323.029
UracilUracilME3272561174--113.034
UreaUreaME3272571176--61.04
Ureidoglycolic acidUreidoglycolic acidME327370439269--133.026
Uric acidUric acidME3273711175--167.021
UridineUridineME3272586029--245.079
Urocanic acidUrocanic acidME327259736715--139.051
ValValineME3272601182--118.087
XA0004-ME3273720--144.03
XA0012-ME3273730--166.017
XA0013-ME3273740--172.993
XA0017-ME3273750--186.112
XA0019-ME3273760--191.019
XA0033-ME3273770--242.08
XA0035-ME3273780--254.982
XanthineXanthineME3272611188--153.041
XanthosineXanthosineME32737964959--283.066
Xanthurenic acidXanthurenic acidME3273805699--204.031
XC0001-ME3272620--72.082
XC0017-ME3272630--130.098
XC0040-ME3272640--174.088
XC0065-ME3272650--221.093
XC0120-ME3272660--298.053
XC0126-ME3272670--310.115
β-Alabeta-AlanineME327268239--90.056
β-Ala-Lys-ME327269440638--218.151
γ-Butyrobetaine3-DehydroxycarnitineME327270134--146.118
γ-Glu-Cysgamma-GlutamylcysteineME327271123938--251.071
γ-Glu-Val-GlyGlu-Val-GlyME3272720--304.151


Analysis: None (Direct infusion) UNSPECIFIED ION MODE

SelectMetabolite Name RefMet Name/Standardized Name* WorkBench
Metabolite_ID
PubChem
Compound_ID
Kegg Id Retention
time/index
m/z ratio
1,2-Dipalmitoyl-glycero-3-phosphoethanolamine-1PE 16:0/16:0ME327381445468-16.44692.535
1,2-Dipalmitoyl-glycero-3-phosphoethanolamine-2PE 16:0/16:0ME327382445468-16.52692.524
1,2-Dipalmitoyl-glycero-3-phosphoethanolamine-3PE 16:0/16:0ME327383445468-16.39692.532
1,2-Dipalmitoyl-glycero-3-phosphoglycerol-1PG 16:0/16:0ME327500446440-18.06721.504
1,2-Dipalmitoyl-glycero-3-phosphoglycerol-2PG 16:0/16:0ME327501446440-17.88721.513
1,2-Distearoyl-glycero-3-phosphocholinePC 18:0/18:0ME32738494190-17.06790.632
18-Hydroxycorticosterone-ME32739711222-8.11363.218
19-Hydroxyandrostenedione-ME327398252379-8.32303.201
19-Hydroxytestosterone-1-ME327399150968-8.13305.207
19-Hydroxytestosterone-2-ME327400150968-8.4305.212
1-Myristoyl-glycero-3-phosphocholine-1LPC 14:0ME327385460604-12.06468.315
1-Myristoyl-glycero-3-phosphocholine-2LPC 14:0ME327386460604-12.23468.313
1-Myristoyl-glycero-3-phosphocholine-3LPC 14:0ME327387460604-11.83468.316
1-Myristoyl-glycero-3-phosphoethanolamine-ME3273889547070-12.33426.265
1-Oleoyl-glycero-3-phosphocholine-1-ME3273895280634-13.05522.361
1-Oleoyl-glycero-3-phosphocholine-2-ME3273905280634-13.19522.362
1-Palmitoyl-glycero-3-phosphocholine-1LPC 16:0/0:0ME327391460602-12.88496.345
1-Palmitoyl-glycero-3-phosphocholine-2-ME327392--13.03498.351
1-Palmitoyl-glycero-3-phosphoethanolamine-1 and/or...-ME327393--13.02454.297
1-Palmitoyl-glycero-3-phosphoethanolamine-2 and/or...-ME327394--13.15454.297
1-Stearoyl-glycero-3-phosphocholine-1 and/or 1-Hex...-ME327395--13.63524.376
1-Stearoyl-glycero-3-phosphocholine-2-ME327396--13.77525.381
20α-Hydroxyprogesterone-ME3274028956-10.91317.251
2-ArachidonoylglycerolMG 20:4ME3274015282280-13.51379.288
5-Methoxyindoleacetic acid-15-Methoxyindoleacetic acidME32740318986-6.78206.084
5-Methoxyindoleacetic acid-25-Methoxyindoleacetic acidME32740418986-7.27206.084
5-Methoxyindoleacetic acid-35-Methoxyindoleacetic acidME32740518986-7.04206.084
5α-Cholestan-3-one-15alpha-CholestanoneME32740692128-16.28387.366
5α-Cholestan-3-one-25alpha-CholestanoneME32740792128-16.19387.368
5α-Cholestan-3-one-35alpha-CholestanoneME32740892128-16.09387.369
7-Dehydrocholesterol-1 and/or Desmosterol-ME327409--15.86367.333
7-Dehydrocholesterol-2-ME327410439423-16.11367.339
AC(12:0)-1CAR 12:0ME3274110-9.96344.285
AC(12:0)-2CAR 12:0ME3274120-9.72344.284
AC(12:1)-1CAR 12:1ME3274130-9.56342.268
AC(12:1)-2CAR 12:1ME3274140-9.46342.27
AC(13:1)CAR 13:1ME3274150-9.73356.271
AC(14:0)CAR 14:0ME3274160-10.76372.313
AC(14:1)-1CAR 14:1ME3274170-10.25370.299
AC(14:1)-2CAR 14:1ME3274180-10.33370.299
AC(14:1)-3CAR 14:1ME3274190-10.17370.301
AC(14:2)CAR 14:2ME3274200-9.86368.282
AC(15:0)-1CAR 15:0ME3274210-11.15386.329
AC(15:0)-2CAR 15:0ME3274220-11.01386.331
AC(16:1)CAR 16:1ME3274230-11.01398.331
AC(16:2)CAR 16:2ME3274240-10.56396.314
AC(17:0)CAR 17:0ME3274250-11.89414.357
AC(18:0)CAR 18:0ME3274260-12.23428.378
AC(18:1)CAR 18:1ME3274270-11.69426.362
AC(18:2)CAR 18:2ME3274280-11.23424.348
AC(20:0)CAR 20:0ME3274290-12.91456.41
AC(20:1)CAR 20:1ME3274300-12.34454.391
AC(22:0)CAR 22:0ME3274310-13.57484.44
AEA(18:3)-ME3274320-12.87322.275
AEA(20:5)-ME3274330-12.9346.282
AEA(22:6)-ME3274340-13.27372.296
Apigenin 8-glucoside-1VitexinME3275025280441-7.07431.101
Apigenin 8-glucoside-2VitexinME3275035280441-6.62431.102
Arachidic acidArachidic acidME32750410467-15.79311.298
Arachidonic acidArachidonic acidME327505444899-14.13303.236
Asiatic acid-1Asiatic acidME327506119034-11.65487.341
Asiatic acid-2Asiatic acidME327507119034-11.25487.35
Asiatic acid-3Asiatic acidME327508119034-11.77487.354
AstaxanthinAstaxanthinME3274355281224-14.01597.399
Baicalein-1-ME3275095281605-9.49269.049
Baicalein-2-ME3275105281605-9.26269.05
BaicalinBaicalinME32743664982-8.11447.097
Behenic acidBehenic acidME3275118215-16.26339.33
BiotinBiotinME327437171548-5.83245.098
CampesterolCampesterolME327438173183-16.26383.371
Cepharanthine-ME32743910206-6.02304.146
Chenodeoxycholic acidChenodeoxycholic acidME32751210133-11.82391.289
CholesterolCholesterolME3274405997-16.11369.356
Cholesterol sulfateCholesterol sulfateME32751365076-16.88465.309
Cholic acidCholic acidME327514221493-10.92409.292
ChrysoeriolChrysoeriolME3274415280666-9.08301.066
cis-11,14-Eicosadienoic acid11Z,14Z-Eicosadienoic acidME3275156439848-14.83307.268
cis-11-Eicosenoic acidcs-Gondoic acidME3275165282768-15.29309.283
cis-4,7,10,13,16,19-Docosahexaenoic acidDHAME327517445580-14.03327.237
cis-5,8,11,14,17-Eicosapentaenoic acidEPAME327518446284-13.71301.221
cis-8,11,14-Eicosatrienoic acidBishomo-gamma-linolenic acidME3275195280581-14.42305.252
Cortexolone, Corticosterone and/or 21-Deoxycortiso...-ME327442--9.07347.224
Cycloartenol-1-ME32744392110-16.59409.388
Cycloartenol-2 and/or Lanosterol-2-ME327444--16.37409.383
DaidzeinDaidzeinME3275205281708-8.26253.053
DehydroisoandrosteroneDehydroepiandrosteroneME3274455881-10.02271.211
Deoxycholic acidDeoxycholic acidME327521222528-11.96391.29
DiosgeninDiosgeninME32744699474-14.1415.322
Eleutheroside B-ME3274475316860-5.73390.179
Ergocalciferol-1Vitamin D2ME3274485280793-15.6397.34
Ergocalciferol-2Vitamin D2ME3274495280793-15.85397.344
EriodictyolEriodictyolME327522440735-7.97287.056
Erucic acidcis-Erucic acidME3275235281116-15.81337.315
EstroneEstroneME3274505870-10.04271.171
Ethyl arachidonate-ME3274515367369-15.04333.286
FA(14:3)-1Tetradecatrienoic acidME3275240-12.51221.158
FA(14:3)-2Tetradecatrienoic acidME3275250-12.38221.157
FA(15:0)Pentadecylic acidME3275260-14.07241.22
FA(16:2)Hexadecadienoic acidME3275270-13.52251.203
FA(17:1)Heptadecenoic acidME3275280-14.34267.232
FA(19:1)Nonadecenoic acidME3275290-14.99295.263
FA(20:3)Eicosatrienoic acidME3275300-14.59305.252
FA(22:4)Docosatetraenoic acidME3275310-14.64331.267
FA(22:5)-1Docosapentaenoic acidME3275320-14.03329.244
FA(22:5)-2Docosapentaenoic acidME3275330-14.25329.253
FA(22:5)-3Docosapentaenoic acidME3275340-14.43329.252
FA(24:0)Lignoceric acidME3275350-16.68367.361
FA(24:5)Tetracosapentaenoic acidME3275360-14.81357.281
FA(25:0)Pentacosanoic acidME3275370-16.88381.377
FA(25:3)Pentacosatrienoic acidME3275380-15.7375.329
FA(26:0)Cerotic acidME3275390-17.09395.392
FormononetinFormononetinME3274525280378-9.48269.082
Galangin-ME3275405281616-10.29269.046
GenisteinGenisteinME3275415280961-8.93269.049
GlyciteinGlyciteinME3274535317750-8.21285.08
Glycochenodeoxycholic acidGlycochenodeoxycholic acidME32754212544-11.05448.309
Glycocholic acidGlycocholic acidME32754310140-10.26464.306
Glycodeoxycholic acidGlycodeoxycholic acidME3275443035026-11.3448.309
Glycolithocholic acidGlycolithocholic acidME327545115245-11.97432.313
Glycoursodeoxycholic acidGlycoursodeoxycholic acidME32754612310288-10.17448.306
Hecogenin-1HecogeninME32745491453-12.11431.317
Hecogenin-2HecogeninME32745591453-12.61431.321
Heneicosanoic acid, 19-Methylarachidic acid-ME327547--16.04325.311
Heptadecanoic acid-1 and/or FA(17:0)-1-ME327548--14.8269.249
Heptadecanoic acid-2 and/or FA(17:0)-2-ME327549--14.92269.25
Hyodeoxycholic acidHyodeoxycholic acidME3275505283820-11.05391.289
IsoliquiritigeninIsoliquiritigeninME327456638278-9.26257.085
Kaempferol and/or Datiscetin-ME327551--9.27285.042
Kynurenic acidKynurenic acidME3274573845-5.98190.053
Lactosylceramide(d18:1/24:1)-1-ME3274580-16.92972.735
Lactosylceramide(d18:1/24:1)-2-ME3274590-17.05972.74
Lanosterol-1-ME327460246983-15.98409.393
Linoleic acidLinoleic acidME3275525280450-14.19279.237
Linolenic acidOctadecatrienoic acidME3275535280934-13.75277.22
Linoleyl ethanolamideLinoleoyl-EAME3274615283446-13.31324.293
Liquiritigenin-1-ME327462114829-8.26257.075
Liquiritigenin-2-ME327463114829-8.01257.083
Lithocholic acidLithocholic acidME3275549903-12.76375.294
LPC(24:0)LPC 24:0ME32746424779481-15.61608.471
LPE(18:1)-1LPE 18:1ME3275550-13.31478.297
LPE(18:1)-2LPE 18:1ME3275560-13.18478.297
LPG(16:0)-1LPG 16:0ME3275570-15.2483.277
LPG(16:0)-2LPG 16:0ME3275580-15.07483.276
LPG(18:1)-1LPG 18:1ME3275590-15.21509.292
LPG(18:1)-2LPG 18:1ME3275600-15.32509.291
LPS(18:0)LPS 18:0ME3275610-15.51524.301
LuteolinLuteolinME3275625280445-8.71285.045
Luteolin 7-glucoside-1-ME3275635280637-7.23447.087
Luteolin 7-glucoside-2-ME3275645280637-7.57447.097
Luteolin 7-glucoside-3-ME3275655280637-7.09447.097
LysoPAF(16:0)-ME3274650-13.34482.363
Myristic acidMyristic acidME32756611005-13.82227.205
N-Acetylsphingosine-1Cer 18:1;O2/2:0ME3274665497136-13.38342.304
N-Acetylsphingosine-2Cer 18:1;O2/2:0ME3274675497136-13.57342.306
Naringenin-1NaringeninME327567439246-8.91271.055
Naringenin-2NaringeninME327568439246-8.82271.063
Naringenin-3NaringeninME327569439246-8.53271.065
Naringenin-4NaringeninME327570439246-9.18271.067
Nervonic acid-1Nervonic acidME3275715281120-16.24365.346
Nervonic acid-2Nervonic acidME3275725281120-16.51365.347
Oleic acidOleic acidME327573445639-14.68281.252
Oleoyl ethanolamide and/or AEA(18:1)-ME327468--13.81326.309
OuabainOuabainME327469439501-6.03585.298
PAF(17:0)-1-ME3274700-14.13538.392
PAF(17:0)-2-ME3274710-14.01538.393
Palmitic acidPalmitic acidME327574985-14.57255.236
Palmitoleic acidPalmitoleic acidME327575445638-13.97253.22
PalmitoylcarnitineCAR(16:0)ME32747211953816-11.52400.346
PalmitoylethanolamidePalmitoyl-EAME3274734671-13.64300.293
Pentadecanoic acidPentadecylic acidME32757613849-14.21241.22
PhytosphingosinePhytosphingosineME327474122121-10.92318.305
Prostaglandin E1-1 and/or Prostaglandin D1-1-ME327475--10.03372.267
Prostaglandin E1-2 and/or Prostaglandin D1-2-ME327476--9.81372.267
RiboflavinFMNME327477493570-6.04377.148
Ricinoleic acidRicinoleic acidME327577643684-12.48297.248
Saponarin-1-ME327478441381-6.6595.169
Saponarin-2-ME327479441381-6.82595.163
Saponarin-3-ME327480441381-6.36595.177
SitosterolSitosterolME327481222284-16.42397.387
SphinganineSphinganineME32748291486-11.19302.309
Sphinganine(d20:0)-ME3274830-11.89330.334
Sphingomyelin(d18:1/16:0)-1SM 18:1;O2/16:0ME3274845283590-16.03703.582
Sphingomyelin(d18:1/16:0)-2SM 18:1;O2/16:0ME3274855283590-16.27703.576
Sphingomyelin(d18:1/18:0)-1SM 18:1;O2/18:0ME3274865283588-16.42731.604
Sphingomyelin(d18:1/18:0)-2SM 18:1;O2/18:0ME3274875283588-16.28731.592
SphingosineSphingosineME3274885280335-11.01300.294
Sphingosine(d20:1)-ME3274890-11.72328.324
Stearic acidStearic acidME3275785281-15.23283.268
Stearidonic acidStearidonic acidME3275795312508-13.37275.204
Stearoyl ethanolamideStearoyl-EAME32749027902-14.39328.324
Stigmasterol-1StigmasterolME3274915280794-16.28395.371
Stigmasterol-2StigmasterolME3274925280794-16.1395.372
Taurochenodeoxycholic acidTaurochenodeoxycholic acidME327580387316-12.36498.294
Taurocholic acidTaurocholic acidME32758146783527-11.49516.291
Taurodeoxycholic acidTaurodeoxycholic acidME32758292042745-12.68498.294
Taurolithocholic acidTaurolithocholic acidME327583439763-13.34482.297
Taurolithocholic acid 3-sulfateTaurolithocholic acis sulfateME327584440071-14.61562.262
Tauroursodeoxycholic acidTauroursodeoxycholic acidME32758512443252-11.33498.293
Testosterone-1TestosteroneME3274936013-10.27289.215
Testosterone-2TestosteroneME3274946013-9.94289.223
Tricosanoic acidTricosanoic acidME32758617085-16.47353.345
TrilaurinTG 12:0/12:0/12:0ME32749510851-17.57656.594
Ursodeoxycholic acidUrsodeoxycholic acidME32758731401-10.9391.288
α-Tocopherolalpha-TocopherolME32749614985-16.31431.39
α-Tocopherol acetateTocopherol acetateME32749786472-16.55490.431
β-Estradiol-1 and/or 17α-Estradiol-ME327498--10.31273.19
γ-Tocopherolgamma-TocopherolME32749992729-16.12417.375


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