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Analysis: Reversed phase POSITIVE ION MODE (View original submitter results)

SelectMetabolite Name RefMet Name/Standardized Name* WorkBench
Metabolite_ID		 PubChem
Compound_ID		 Kegg Id Retention
time/index		 m/z ratio
GlutamateGlutamic acidME855594-C00025--
GlucosePos2GlucoseME855593-C00031--
GlycineGlycineME855597-C00037--
AlanineAlanineME855566-C00041--
LysineLysineME855611-C00047--
AspartateAspartic acidME855572-C00049--
ArginineArginineME855570-C00062--
Glutamine_specGlutamineME855595-C00064--
SerineSerineME855626-C00065--
MethionineMethionineME855613-C00073--
OrnithineOrnithineME855616-C00077--
TryptophanTryptophanME855640-C00078--
PhenylalaninePhenylalanineME855618-C00079--
TyrosineTyrosineME855641-C00082--
beta-Alaninebeta-AlanineME855574-C00099--
CholineCholineME855580-C00114--
LeucineLeucineME855610-C00123--
HistidineHistidineME855600-C00135--
ProlineProlineME855621-C00148--
AsparagineAsparagineME855571-C00152--
HomocysteineNHomocysteineME855601-C00155--
Acetoacetic AcidAcetoacetic acidME855561-C00164--
ValineValineME855643-C00183--
Valine-d8StandardME855644-C00183--
ThreonineThreonineME855631-C00188--
AdenosineAdenosineME855564-C00212--
TaurineTaurineME855629-C00245--
RiboflavinRiboflavinME855625-C00255--
UridineUridineME855642-C00299--
CreatineCreatineME855584-C00300--
PyridoxinePyridoxineME855624-C00314--
CarnitineCarnitineME855578-C00318--
CitrullineCitrullineME855581-C00327--
GABA.1gamma-Aminobutyric acidME855591-C00334--
GABA.2gamma-Aminobutyric acidME855592-C00334--
PhosphoethanolaminePhosphoethanolamineME855620-C00346--
ThiamineThiamineME855630-C00378--
CytosineCytosineME855589-C00380--
CarnosineCarnosineME855579-C00386--
HistamineHistamineME855599-C00388--
IsoleucineIsoleucineME855602-C00407--
5-Aminolevulinic Acid5-Amino-levulinic acidME855558-C00430--
CytidineCytidineME855588-C00475--
2'-deoxyadenosineDeoxyadenosineME855553-C00559--
cAMP3',5' cyclic AMPME855577-C00575--
PhosphocholineCholine phosphateME855619-C00588--
BetaineBetaineME855575-C00719--
SpermineSpermineME855628-C00750--
SerotoninSerotoninME855627-C00780--
2'-deoxycytidineDeoxycytidineME855554-C00881--
AADalpha-Aminoadipic acidME855560-C00956--
TMNOTrimethylamine N-oxideME855637-C01104--
trans-HYPtrans-4-HydroxyprolineME855638-C01157--
AnserineAnserineME855568-C01262--
CysteamineCysteamineME855586-C01678--
Kynurenic acidKynurenic acidME855607-C01717--
ThyroxineThyroxineME855633-C01829--
AcetylcholineAcetylcholineME855563-C01996--
TriidothyronineLiothyronineME855639-C02465--
AcetylcarnitineCAR 2:0ME855562-C02571--
C4-butyrl-carnitineCAR 4:0ME855576-C02862--
ADMADimethylarginineME855565-C03626--
L-NMMATarginineME855609-C03884--
1-methylhistamine1-MethylhistamineME855548-C05127--
5-HIAA5-Hydroxyindoleacetic acidME855559-C05635--
ColchicineColchicineME855582-C07592--
AnandamideArachidonoyl-EAME855567-C11695--
PurinePurineME855623-C15587--
2-Arachidonyl glycerolMG 20:4ME855549----
2-Methylbutyrylcarnitine.1CAR 4:0;2MeME855550----
2-Methylbutyrylcarnitine.2CAR 4:0;2MeME855551----
2-Methylbutyrylcarnitine.3CAR 4:0;2MeME855552----
3-deaazadenosine-ME855555----
3HKHydroxykynurenineME85555711811---
3-IPA3-Indolepropionic acidME8555563744---
Arachidonic acidArachidonic acidME855569444899---
BAIBAbeta-Aminoisobutyric acidME855573439434---
CotinineCotinineME855583----
CystamineCystamineME855585----
CysteineCysteineME8555875862---
DMGVDMGVME855590----
GlycerolGlycerolME855596753---
Glyoxylic acidGlyoxylic acidME855598760---
Isoleucine_LeucineLeucine/IsoleucineME855603----
Isovalerylcarnitine.1CAR 4:0;3MeME855604----
Isovalerylcarnitine.2CAR 4:0;3MeME855605----
KIVKetoisovaleric acidME85560649---
L-HomoserineHomoserineME85560812647---
MESDimethyl sulfoneME8556126213---
MetSulMethionine sulfoneME855614----
N-acetylglutamineN-AcetylglutamineME855615----
Phe-d8StandardME855617----
Propyl-l-carnitinneCAR 3:0ME855622188824---
ThymidineThymidineME8556325789---
TMA.1TrimethylamineME8556341146---
TMA.2TrimethylamineME8556351146---
TMAOd9Trimethylamine N-oxideME855636----
α-ketoisocaproic acid.1KetoleucineME85564770---
α-ketoisocaproic acid.2KetoleucineME85564870---
α-keto-β-methylvaleric acid.1-ME855645439286---
α-keto-β-methylvaleric acid.2-ME855646439286---


Analysis: HILIC NEGATIVE ION MODE (View original submitter results)

SelectMetabolite Name RefMet Name/Standardized Name* WorkBench
Metabolite_ID		 PubChem
Compound_ID		 Kegg Id Retention
time/index		 m/z ratio
ATP.1ATPME855670-C00002--
ATP.2ATPME855671-C00002--
NADHNADHME855743-C00004--
NADPHNADPHME855746-C00005--
NADP.1NADPME855747-C00006--
NADP.2NADPME855748-C00006--
ADP.1ADPME855665-C00008--
ADP.2ADPME855666-C00008--
PyrophosphatePyrophosphateME855701-C00013--
U5'dPUDPME855736-C00015--
AMP.1AMPME855714-C00020--
AMP.2AMPME855715-C00020--
S-adenosyl-L-homocysteineS-AdenosylhomocysteineME855704-C00021--
Acetyl-coAAcetyl-CoAME855713-C00024--
GlucoseGlucoseME855744-C00031--
OxaloacetateOxaloacetic acidME855727-C00036--
SuccinateSuccinic acidME855740-C00042--
GSSHGlutathioneME855681-C00051--
R5'MP.1FMNME855731-C00061--
R5'MP.2FMNME855732-C00061--
TPPThiamine diphosphateME855707-C00068--
Ascorbic acidVitamin CME855669-C00072--
PhenylpyruvatePhenylpyruvic acidME855698-C00074--
Malonyl-coAMalonyl-CoAME855692-C00083--
Fruc-6-PFructose 6-phosphateME855679-C00085--
Glucose 6-phosphateGlucose 6-phosphateME855739-C00092--
UracilUracilME855709-C00106--
AAArachidonic acidME855716-C00108--
BiotinBiotinME855718-C00120--
FumarateFumaric acidME855691-C00122--
GSSGOxidized glutathioneME855680-C00127--
3M2OBKetoisovaleric acidME855655-C00141--
MalateMalic acidME855690-C00149--
NiacinamideNiacinamideME855726-C00153--
CitrateCitric acidME855750-C00158--
LactateLactic acidME855741-C00186--
ThymidineThymidineME855708-C00214--
NicotinateNicotinic acidME855695-C00253--
PEPPhosphoenolpyruvic acidME855699-C00254--
E4P.1Erythrose 4-phosphateME855719-C00279--
E4P.2Erythrose 4-phosphateME855720-C00279--
InosineInosineME855723-C00294--
IsocitrateIsocitric acidME855687-C00311--
KynurenineKynurenineME855689-C00328--
Fruc-1,6-bPFructose 1,6-bisphosphateME855678-C00354--
MalonateMalonic acidME855724-C00383--
N-carbomyl-aspartateN-Carbamoylaspartic acidME855725-C00438--
SaccharopineSaccharopineME855703-C00449--
p-ABp-Aminobenzoic acidME855696-C00568--
cAMP3',5' cyclic AMPME855673-C00575--
GAAGuanidoacetic acidME855683-C00581--
3-PG3-Phosphoglyceric acidME855660-C00597--
G3PGlyceraldehyde 3-phosphateME855721-C00661--
NADNADME855745-C00857--
2-KH2-Ketocaproic acidME855652-C00902--
AADalpha-Aminoadipic acidME855668-C00956--
3-HB3-Hydroxybutyric acidME855658-C01089--
3HBUSE3-Hydroxybutyric acidME855757-C01089--
PhenyllacticPhenyllactic acidME855697-C01479--
AllantoinAllantoinME855667-C01551--
Kynurenic acidKynurenic acidME855688-C01717--
XanthosineXanthosineME855711-C01762--
Pyroglutamic acidPyroglutamic acidME855700-C01879--
MEVMevalonic acidME855693-C02104--
GlyceraldehydeGlyceraldehydeME855682-C02154--
XANXanthurenic acidME855712-C02470--
2-IPM2-Isopropylmalic acidME855651-C02504--
2-HG2-Hydroxyglutaric acidME855650-C02630--
Ureidopropionic acidUreidopropionic acidME855735-C02642--
3-HKHydroxykynurenineME855659-C03227--
ArginosuccinateArgininosuccinic acidME855717-C03406--
DCADeoxycholic acidME855676-C04483--
TDCATaurodeoxycholic acidME855706-C05463--
5-HIAA5-Hydroxyindoleacetic acidME855662-C05635--
LactuloseLactuloseME855752-C07064--
HCAHyocholic acidME855684-C16511--
CholSO4Cholesterol sulfateME855672-C18043--
2H2MB2-Hydroxy-2-methyl-butyric acidME855649----
2-MAAMethylacetoacetic acidME8556537757---
2-OB3-Methyl pyruvic acidME85565458---
2-OD2-Oxoadipic acidME85565671---
3H3MGcoA3-Hydroxy-3-methylglutaryl-CoAME85565791506---
3_HAA3-Hydroxyanthranilic acidME85575186---
4-HPA4-Hydroxyphenyl acetateME85566196009---
Aconitatetrans-Aconitic acidME855664444212---
ACPAcetylphosphateME855663186---
C5-DCCAR DC5:0ME855722----
Cholic acidCholic acidME855674221493---
Citraconic acidCitraconic acidME855675643798---
Citrate D4-ME855749----
CSACys-Ser-AlaME855742----
DRPDeoxyribose 5-phosphateME85567745934311---
HICA2-Hydroxyisocaproic acidME855686----
HomogentisateHomogentisic acidME855685780---
N-Acetyl-L-AlaN-AcetylalanineME855694----
Phe-d8StandardME855737----
PhytonadioneVitamin K1ME8557285284607---
PrephenatePrephenic acidME8557291028---
PyruvatePyruvic acidME8557021060---
QuercetinQuercetinME8557305280343---
Rhamnose.1RhamnoseME85575425310---
Rhamnose.2RhamnoseME85575525310---
SucraloseSucraloseME85575371485---
TaurineTaurineME8557051123---
Thymine-d4StandardME855738----
TropisetronTropisetronME85573357174031---
UDP-N-acetyl-glucosamineUDP-N-acetylglucosamineME855734----
UrateUric acidME8557561175---
UridineUridineME8557106029---


Analysis: HILIC NEGATIVE ION MODE (View original submitter results)

SelectMetabolite Name RefMet Name/Standardized Name* WorkBench
Metabolite_ID		 PubChem
Compound_ID		 Kegg Id Retention
time/index		 m/z ratio
ATPATPME855810-C00002--
NMN_0_0Nicotinamide ribotideME85575814180C00455--
NMN1Nicotinamide ribotideME85579214180C00455--
NMN2Nicotinamide ribotideME85579314180C00455--
NMN3Nicotinamide ribotideME85579414180C00455--
ADPr1ADP-riboseME85578733576---
ADPr2ADP-riboseME85578833576---
ADPr_AADP-riboseME85578533576---
ADPr_BADP-riboseME85578633576---
cADPribose.1Cyclic ADP-riboseME855817123847---
cADPribose.2Cyclic ADP-riboseME855818123847---
Me2PyN1-Methyl-2-pyridone-5-carboxamideME85578369698---
Me4PyN1-Methyl-4-pyridone-3-carboxamideME855784440810---
MeNAM_0_01-Methyl nicotinamideME855770457---
MeNAM11-Methyl nicotinamideME855807457---
MeNAM21-Methyl nicotinamideME855808457---
MeNAM31-Methyl nicotinamideME855809457---
MeNAM_A1-Methyl nicotinamideME855771457---
MeNAM_B1-Methyl nicotinamideME855772457---
MeNAM_C1-Methyl nicotinamideME855773457---
NA_0_0Nicotinic acidME855774938---
NaAD_0_0Nicotinic acid adenine dinucleotideME855766165491---
NaAD_BNicotinic acid adenine dinucleotideME855765165491---
NA_B_0_0Nicotinic acidME855775938---
NA_C_0_0Nicotinic acidME855776938---
NAD_0_0NADME8557775893---
NAD1NADME8557985893---
NAD2NADME8557995893---
NAD3NADME8558005893---
NADH_ANADHME855778439153---
NADH_BNADHME855779439153---
NADHnegNADHME855815439153---
NADneg159NADME8558125893---
NADneg540NADME8558115893---
NADP1_negNADPME8558195886---
NADP1_posNADPME8558015886---
NADP2_negNADPME8558205886---
NADP2_posNADPME8558025886---
NADP3_negNADPME8558215886---
NADP3_posNADPME8558035886---
NADP+_ANADPME8557805886---
NADP+_BNADPME8557815886---
NADPHNADPHME8557825884---
NADPHnegNADPHME8558165884---
NADPneg159NADPME8558145886---
NADPneg621NADPME8558135886---
NAM_0_0NiacinamideME855767936---
NAM1NiacinamideME855789936---
NAM2NiacinamideME855790936---
NAM3NiacinamideME855791936---
NAM_B_0_0NiacinamideME855768936---
NAM_C_0_0NiacinamideME855769936---
NaMN_0_0Nicotinic acid mononucleotideME85576153477721---
NAMN1Nicotinic acid mononucleotideME85580453477721---
NAMN2Nicotinic acid mononucleotideME85580553477721---
NAMN3Nicotinic acid mononucleotideME85580653477721---
NaR_0_0D-RibosylnicotinateME855760161233---
NaR_BD-RibosylnicotinateME855764161233---
NR_0_0Nicotinamide ribosideME855759439924---
NR1Nicotinamide ribosideME855795439924---
NR2Nicotinamide ribosideME855796439924---
NR3Nicotinamide ribosideME855797439924---
NR_BNicotinamide ribosideME855762439924---
NR_CNicotinamide ribosideME855763439924---


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