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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
10-HYDROXYDECANOATE10-Hydroxydecanoic acidME3169495726C027741.140087179187.1339233
13C2-GLYCINEGlycineME317016--5.36020128276.03144173
13C2-PHOSPHOENOL PYRUVATEPhosphoenolpyruvic acidME317077--6.945842308168.9817893
13C3-SERINESerineME317041--5.382028205107.0454002
13C4-ALPHA-KETOGLUTARIC ACID2-Oxoglutaric acidME316974--5.707974359149.0275269
13C5-D-GLUCOSEGlucoseME317000--4.811223077184.072867
13C6-D-FRUCTOSE-1,6-BISPHOSPHATEFructose 1,6-bisphosphateME316998--7.63631345.0088118
13C6-D-FRUCTOSE-6-PHOSPHATEFructose 6-phosphateME316999--5.836242308265.0424053
13C6-GLUCOSE-6-PHOSPHATEGlucose 6-phosphateME317002--6.2635265.0424053
2'-DEOXYGUANOSINE 5'-MONOPHOSPHATEdGMPME3169503653C003625.751939744346.0557051
2-HYDROXYBUTYRIC ACID2-Hydroxybutyric acidME3169518262C059842.197028205103.0401027
3-(4-HYDROXYPHENYL)LACTATEHydroxyphenyllactic acidME3169526448C036722.569308974181.0506815
3-(4-HYDROXYPHENYL)PYRUVATE4-Hydroxyphenylpyruvic acidME3169534406C011792.239639744179.0349585
3-HYDROXY-3-METHYLGLUTARATE3-Hydroxymethylglutaric acidME3169546518C037615.00665161.0455203
3-HYDROXYBUTANOIC ACID3-Hydroxybutyric acidME3169554324C010891.521812821103.0401223
3-METHYLADENINE3-MethyladenineME3169574168C009132.08885641148.0628393
3-SULFINO-L-ALANINE3-Sulfino-alanineME3169593881C006065.023975641152.0022871
4-ACETAMIDOBUTANOATE4-Acetamidobutanoic acidME3169605865C029462.480535897144.0665764
4-AMINOBUTANOATEgamma-Aminobutyric acidME3169613628C003345.031137179102.0560751
4-HYDROXY-2-QUINOLINECARBOXYLIC ACIDKynurenic acidME3169624854C017171.562148718188.035277
4-PYRIDOXATE4-Pyridoxic acidME3169634104C008471.276584615182.0459396
5'-CMPCMPME3169643357C000555.657314103322.0444755
5'-METHYLTHIOADENOSINE5'-MethylthioadenosineME3169653470C001701.455634615296.082007
5-OXO-PROLINEPyroglutamic acidME3169665301C022373.004757692128.0351797
ADENOSINE 5'-DIPHOSPHATEADPME3169673310C000085.765303846426.0221863
ADENOSINE 5'-DIPHOSPHORIBOSEADP-riboseME3169683595C003015.35655641558.0643351
ADENOSINE 5'-MONOPHOSPHATEAMPME3169693322C000204.698470513346.0556664
ADIPIC ACIDAdipic acidME3169586518C037614.687518519145.0515127
ALLANTOINAllantoinME3169704709C015514.546544872157.0366669
ALPHA-D-GALACTOSE 1-PHOSPHATE;D-MANNOSE 6-PHOSPHAT...Galactose 1-phosphateME3169713734C004465.799947436259.0222544
ALPHA-D-GLUCOSEGlucoseME3169723333C000314.793994872179.0561376
ALPHA-KETOGLUTARIC ACID2-Oxoglutaric acidME3169733328C000265.707974359145.0142423
ARABINOSE;D-XYLOSE;D-(-)-ARABINOSEArabinoseME3169753558C002594.28684359149.0455029
ARACHIDIC ACIDArachidic acidME3169768660C064251.04615641311.295281
ASPARAGINEAsparagineME3170283452C001525.152160256131.0462142
ASPARTATEAspartic acidME3169933692C004025.184039744132.0301053
AZELAIC ACIDAzelaic acidME31697710460C082613.511996154187.0976
BETAINE;L-NORVALINEBetaineME3169783985C007193.327566667116.0717313
BETA-NICOTINAMIDE ADENINE DINUCLEOTIDE PHOSPHATENADP+ME3169793308C000066.428760256742.0683417
CAFFEATECaffeic acidME3169804652C014813.266088462179.0350194
CAPRYLIC ACIDCaprylic acidME3169818658C064231.177465385143.1077024
CARNOSINECarnosineME3169823676C003865.356535897225.0993316
CITRACONIC ACIDCitraconic acidME3169835291C022263.308748718129.019393
CITRATE;ISOCITRIC ACIDCitric acidME3169843458C001587.162421795191.0197345
CITRULLINECitrullineME3169863621C003275.454655128174.0883743
CREATINECreatineME3169873594C003004.846434615130.0619348
CREATININECreatinineME3169884049C007912.748721795112.051634
CYSTATHIONINECystathionineME3170305347C022916.026653333221.0602503
CYSTINECystineME3170314607C014205.610281481239.0165454
CYTIDINECytidineME3169893758C004753.657407692242.0783352
CYTIDINE 5'-DIPHOSPHATECDPME3169903412C001126.690503846402.0108525
D2-FUMARIC ACIDFumaric acidME317009--5.933828205117.0162784
D3-LACTATELactic acidME317036--2.72478717992.04321113
D3-MALIC ACIDMalic acidME317003--5.924317949136.0329367
D4-CITRIC ACIDCitric acidME316985--7.165887179195.0446615
D4-SUCCINIC ACIDSuccinic acidME317092--5.522616667121.0443925
DECANOATECapric acidME3169944728C015711.127035897171.1390381
DEOXYCYTIDINEDeoxycytidineME3169954137C008813.157329487226.0833767
DEOXYURIDINEDeoxyuridineME3169963809C005262.257235897227.0674448
D-FRUCTOSE;D-TAGATOSEFructoseME3169973395C000954.331829487179.0561218
D-GLUCOSE-6-PHOSPHATEGlucose 6-phosphateME3170013937C006686.2635259.0222661
DIHYDROOROTATE4,5-Dihydroorotic acidME3169463630C003373.427625641157.0254197
D-PANTOTHENIC ACIDPantothenic acidME3170044121C008642.289541026218.1032823
D-RIBOSE 5-PHOSPHATERibose 5-phosphateME3170053417C001175.69440641229.0117943
D-(+)-TREHALOSE;D-LACTOSE;MELIBIOSE;MALTOSE;D-(+)-...TrehaloseME3169924320C010835.522758974341.1087441
ERYTHRITOLErythritolME3170063786C005033.596775641121.0506434
FOLIC ACIDFolic acidME3170073787C005046.330901389440.1324585
FRUCTOSE 1,6-BIPHOSPHATEFructose 1,6-bisphosphateME3170083647C003547.657911905338.9886756
GALACTITOL;MANNITOL;D-SORBITOLGalactitolME3170104837C016974.526928205181.0718278
GALACTURONIC ACIDGalacturonic acidME3169913627C003336.032353846193.0354179
GLUCONIC ACIDGluconic acidME3170113556C002574.622752564195.0509514
GLUTAMIC ACIDGlutamic acidME3170323327C000255.013687179146.0457817
GLUTAMINEGlutamineME3170333364C000645.075570513145.061892
GLUTARIC ACIDGlutaric acidME3170123772C004895.149509259131.035946
GLYCERATEGlyceric acidME3170133557C002583.735307692105.0193618
GLYCEROL 2-PHOSPHATEsn-Glycero-2-phosphateME3170145889C029794.75959359171.0063906
GLYCINEGlycineME3170153339C000375.36008717974.02474815
GUANOSINE 5'-MONOPHOSPHATEGMPME3170173444C001446.162365385362.0508098
HEPTADECANOATEMargaric acidME3170186009C031141.063412821269.2485891
HEPTANOIC ACIDHeptylic acidME31701996024044C177141.227624359129.0921288
HIPPURATEHippuric acidME3170204741C015861.28535641178.0509591
HOMOGENTISATEHomogentisic acidME3170213825C005442.548778205167.0349012
HOMOVANILLATEHomovanillic acidME3170227908C055822.064452564181.0510326
HYDROXYPROLINEHydroxyprolineME3170944385C011574.801060256130.0509093
HYPOTAURINEHypotaurineME3170233802C005195.037989744108.0125222
INOSINEInosineME3170243588C002943.275712821267.0734938
INOSINE 5'-PHOSPHATEIMPME3170253430C001305.569557692347.0397264
ISOLEUCINE;LEUCINE;NORLEUCINEIsoleucineME3170353697C004073.248217949130.0872498
ITACONATEItaconic acidME3170263773C004905.522616667129.0193779
LACTATELactic acidME3169473486C001862.71822179589.02428847
LAURIC ACIDLauric acidME3170295649C026791.135738462199.1703221
LINOLEATELinoleic acidME3170344750C015951.056301282279.2329078
MALATEMalic acidME3169483449C001495.927488462133.0141712
MALEIC ACID;FUMARATEMaleic acidME3170464579C013845.933828205115.0036744
MALONATEMalonic acidME3170473673C003835.711270513103.0037149
MANDELIC ACID;2-HYDROXYPHENYLACETIC ACID;2',4'-DIH...-ME3170485080C019831.33705151.0400746
MESO-TARTARIC ACIDMeso-tartaric acidME3170493833C005526.090210256149.0091792
METHIONINEMethionineME3170373373C000733.458591026148.0438432
METHYL-2-OXOVALERIC ACID3-Methyl-2-oxovaleric acidME316956--1.275160256129.0557298
METHYL ACETOACETATEMethylacetoacetic acidME3170503464C001641.334884615115.0399927
METHYL JASMONATEMethyl jasmonateME31705113682C115121.195726923223.1336731
MEVALONIC ACIDMevalonic acidME3169453708C004182.435090909147.0662178
MYO-INOSITOLMyo-inositolME3170523437C001376.021812821179.0561207
MYRISTIC ACIDMyristic acidME3170538659C064241.13275227.2016308
N-ACETYL-DL-GLUTAMIC ACIDN-Acetylglutamic acidME3170543897C006245.010224359188.0564697
N-ACETYL-DL-METHIONINEN-AcetylmethionineME3170555675C027121.284152564190.054433
N-ACETYLGLYCINEN-AcetylglycineME317056--3.195847436116.0353328
N-ACETYL-L-ALANINEN-AcetylalanineME3170573897C006242.431966667130.0509095
N-ACETYL-L-ASPARTIC ACIDN-Acetylaspartic acidME3170584284C010425.259564103174.0407381
N-ACETYLNEURAMINATEN-Acetylneuraminic acidME3170593568C002704.528401282308.0987103
NADNAD+ME3170603305C000034.752647436662.1021949
N-ALPHA-ACETYL-L-ASPARAGINEN-AcetylasparagineME317061--3.518889744173.0566958
NONANOATEPelargonic acidME3170624755C016011.142851282157.1233063
O-ACETYL-L-SERINE;N-ACETYL-DL-SERINEO-AcetylserineME3170634228C009793.196469231146.0458039
OMEGA-HYDROXYDODECANOIC ACID12-Hydroxy lauric acidME31706410515C083171.148502564215.1650811
O-PHOSPHORYLETHANOLAMINEPhosphoethanolamineME3170653639C003465.576808974140.0118432
OPHTHALMIC ACIDOphthalmic acidME317066254741470C210164.497891026288.1200162
OROTATEOrotic acidME3170673589C002953.022097436155.0098422
OXALIC ACIDOxalic acidME3170683509C002096.72360128288.98807588
PALMITATEPalmitic acidME31706910558C083621.110085897255.2326108
PALMITOLEIC ACIDPalmitoleic acidME31707010558C083621.072102564253.2174401
PENTANOATEValeric acidME3170714061C008031.28084359101.0608174
PETROSELINIC ACID;ELAIDIC ACID;OLEATE6-Octadecylenic acidME31707210559C083631.059980769281.2484718
PHENYLACETIC ACIDPhenylacetic acidME3170739297C070861.280366667135.0451922
PHENYLALANINEPhenylalanineME3170383379C000792.925089744164.0717304
PHOSPHOCHOLINECholine phosphateME3170753867C005885.020675641182.0588089
PHOSPHOCREATINEPhosphocreatineME3170765359C023055.4761210.0285162
PHOSPHO(ENOL)PYRUVIC ACIDPhosphoenolpyruvic acidME3170743374C000746.945842308166.9750543
PHOSPHOGLYCERIC ACIDPhosphoglyceric acidME3170273904C006316.664655128184.9856432
PIMELIC ACIDPimelic acidME3170785629C026564.637775641159.0662301
PROLINEProlineME3170393448C001484.000124359114.0559563
PROPIONATEPropionic acidME3170793463C001632.34540384673.02947642
PTERINPterinME3170803981C007153.193960256162.042168
PURINEPurineME31708117396579C155872.092315385119.0364712
PYRIDINE DICARBOXYLATEQuinolinic acidME3170826487C037225.564157576166.0135869
PYRIDOXAL 5'-PHOSPHATEPyridoxal 5'-phosphateME3170833320C000184.644366667246.0170888
QUINATEQuinic acidME3170843590C002964.263188462191.0562313
RAC-GLYCEROL 1-MYRISTATEMG 14:0ME317085--1.095361538301.2379814
S-(5'-ADENOSYL)-L-HOMOCYSTEINES-AdenosylhomocysteineME3170863323C000214.421873077383.1142382
SERINESerineME3170403365C000655.382028205104.0353472
SHIKIMATEShikimic acidME3170873776C004934.797566667173.0454658
SN-GLYCEROL 3-PHOSPHATEsn-Glycero-3-phosphateME3170883393C000935.338347436171.0063923
SODIUM BENZOATEBenzoic acidME3170893480C001801.378167949121.0295259
STEARATEStearic acidME3170904692C015301.080155128283.263909
SUCCINIC ACIDSuccinic acidME3170913344C000425.522616667117.019361
TARTARIC ACIDTartaric acidME3169444154C008986.424785897149.0091529
TAURINETaurineME3170933544C002455.0619124.0072415
THREONINE;HOMOSERINE;L-ALLOTHREONINEThreonineME3170423488C001884.832196154118.0509931
TRYPTOPHANTryptophanME3170433378C000783.534326923203.0826604
TYROSINETyrosineME3170443382C000824.168071795180.0666316
URATEUric acidME3170953657C003664.300178205167.0209973
URIDINE 5'-DIPHOSPHATEUDPME3170963317C000156.503552564402.9949106
URIDINE 5'-DIPHOSPHOGLUCOSE;URIDINE 5'-DIPHOSPHOGA...FelbamateME3170973331C000296.068257692565.0478281
URIDINE 5'-DIPHOSPHO-N-ACETYLGALACTOSAMINE;URIDINE...Uridine 5'-Diphospho-N-acetylgalactosamineME317098--5.4761606.0746929
URIDINE-5-MONOPHOSPHATEUMPME3170993405C001055.392867949323.0285572
UROCANATEUrocanic acidME3171004043C007853.303775641137.0356327
VALINEValineME3170453483C001833.866403846116.0717216
XANTHINEXanthineME3171013675C003853.45985151.0260608
XANTHOSINEXanthosineME3171024895C017624.107880769283.0684886
XYLITOL;RIBITOL;L-ARABITOLXylitolME3171033669C003794.082629487151.0611537


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