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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
PS(52:0)PS 52:0ME280801--3.4232731051027.781062
4-Aminobutanoategamma-Aminobutyric acidME280837-C0033415.14304938103.0633022
CholineCholineME280842-C0011420.3192414103.0996767
L-SerineSerineME280830-C0006515.76006767105.0425802
(S)-1-Pyrroline-5-carboxylate1-Pyrroline-5-carboxylic acidME280799-C039128.344628187113.0476055
CreatinineCreatinineME280617-C007919.362823768113.0588861
L-ProlineProlineME280859-C0014812.43275289115.0633068
L-ValineValineME280797-C0018310.87500602117.0789631
alpha-Methylstyrene-ME280883-C143953.891808033118.0782152
L-ThreonineThreonineME280628-C0018814.380021119.0582528
CumeneIsopropylbenzeneME280885-C143963.89596697120.093867
PicolinamidePicolinamideME280843-C019507.075118967122.0479993
NicotinateNicotinic acidME280678-C002537.741186495123.0320264
2-O-Methylcytosine2-O-MethylcytosineME280815--7.270537637125.0589021
gamma-Amino-gamma-cyanobutanoate4-Amino-4-cyano-butanoic acidME280817-C0571514.772914128.0584571
L-PipecolatePipecolic acidME280875-C0040811.9811896129.0790182
MesaconateMesaconic acidME280814-C0173215.66156317130.0266566
N-AcetylputrescineN-AcetylputrescineME280835-C0271419.07587067130.110658
5-Aminolevulinate5-Amino-levulinic acidME280863-C0043014.2018407131.058454
CreatineCreatineME280836-C0030014.35592262131.0693786
L-LeucineLeucineME280877-C0012310.33965721131.0946395
L-AsparagineAsparagineME280834-C0015215.24217615132.0535386
L-OrnithineOrnithineME280841-C0007721.72914092132.0899206
3-nitro-2-pentanol-ME280806--7.076010562133.0739004
AdenineAdenineME280654-C001479.08774205135.0545177
HypoxanthineHypoxanthineME280848-C002629.934748143136.0385011
N-MethylnicotinateTrigonellineME280860-C0100417.29978373137.0477046
4-(Trimethylammonio)but-2-enoate(E)-4-(Trimethylammonio)but-2-enoateME280853-C0411410.19826305143.0946616
2,3-DimethylmaleateDimethyl maleateME280846-C0092214.31247856144.0423324
3-Methyleneoxindole3-MethyleneoxindoleME280911-C027967.097237882145.0529174
[FA oxo,amino(6:0)] 3-oxo-5S-amino-hexanoic acid(S)-5-Amino-3-oxohexanoateME280827-C0365612.11203964145.0739651
4-Guanidinobutanoate4-Guanidinobutanoic acidME280630-C0103514.74698365145.0853083
4-Trimethylammoniobutanoate3-DehydroxycarnitineME280698-C0118112.80032328145.1103183
L-GlutamineGlutamineME280838-C0006414.89602268146.0691152
L-LysineLysineME280882-C0004722.37975295146.1055758
L-GlutamateGlutamic acidME280873-C0002514.75461266147.0531525
N-hydroxyisoleucineN-hydroxyisoleucineME280832--11.75289019147.0895238
Pentylbenzene-ME280636--3.89992083148.1252335
L-MethionineMethionineME280839-C0007311.21558556149.0510904
TriethanolamineTriethanolamineME280840-C067718.86790803149.1052724
1-Methylhypoxanthine1-MethylhypoxanthineME280844--8.76892886150.0541516
4,8-Dimethyl-1,3E,7-nonatriene-ME280637--3.915038143150.1408643
methiin-ME280800--10.58712821151.0301804
GuanineGuanineME280812-C0024212.11923396151.0494655
(1R,4S)-fenchan-2-one-ME280609--3.91677357152.1200929
Pseudopelletierinepsi-PelletierineME280895-C108654.875170977153.1153762
N-MethylpelletierineMethylisopelletierineME280899-C061844.797838233155.1310178
[FA oxo(8:1)] 5-oxo-7-octenoic acid5-Oxo-7-octenoic acidME280864--4.877362293156.0785407
5-Acetamidopentanoate5-Acetamidovaleric acidME280808-C0308711.85216031159.089604
MethacholineMethacholineME280878-C0747112.76089208159.1259748
A-Ketoglutaricacidoximealpha-Ketoglutaric acid oximeME280816--8.246760582161.0324651
O-Acetyl-L-homoserineO-Acetyl-homoserineME280804-C0107710.74274838161.068757
L-CarnitineCarnitineME280700-C0048712.79689131161.1052353
1,2-Dihydroxy-5-(methylthio)pent-1-en-3-one1,2-Dihydroxy-3-keto-5-methylthiopenteneME280822-C156067.318699958162.0351483
Trimethyl-2-propenylpyrazineTrimethyl-2-propenylpyrazineME280603--4.170739175162.1156827
L-Methionine S-oxideMethionine sulfoxideME280807-C0298913.21355457165.0459342
L-PhenylalaninePhenylalanineME280909-C000799.725704617165.0790091
PyridoxalPyridoxalME280907-C002507.866494595167.0582688
PyridoxinePyridoxineME280888-C003147.695619877169.0739122
N-Butyryl-L-homoserine lactoneN-Butyryl-L-homoserine lactoneME280866-C118374.900452623171.089625
indole-3-acetonitrile oxide-ME280626--5.18769521172.0637266
3-Aminobenzenesulfonate-ME280845-C063345.30494314173.0147362
N-Acetyl-L-glutamate 5-semialdehydeN-Acetyl-glutamate 5-semialdehydeME280851-C012509.779478272173.0688163
5-Guanidino-2-oxopentanoate2-OxoarginineME280826-C0377113.97736034173.0800995
N-Acetyl-L-leucineN-AcetylleucineME280874-C0271011.2209623173.1052088
3-Indoleacetaldoxime-ME280710-C029377.050318157174.079312
L-ArginineArginineME280884-C0006223.65141377174.1116607
L-CitrullineCitrullineME280677-C0032715.70308363175.0957384
5-[2H-Pyrrol-4-(3H)-ylidenemethyl]-2-furanmethanol-ME280599--4.163692313177.0790205
3,3'-Thiobispropanoic acid3,3'-Thiobispropanoic acidME280823--7.493321635178.0298442
Cys-GlyCys-GlyME280803-C0141914.33027215178.0412333
N-AcetylanthranilateMethyl n-acetylanthranilateME280913-C063328.412263157179.0582744
D-GlucosamineGlucosamineME280805-C0032914.65979215179.0793461
L-TyrosineTyrosineME280910-C0008212.85962983181.0739655
4-Hexyl-2,5-dimethyloxazole4-Hexyl-2,5-dimethyloxazoleME280640--6.993714633181.1466393
Choline phosphateCholine phosphateME280847-C0058814.54881615183.0661045
GinkgotoxinGinkgotoxinME280887--4.30153393183.0896128
OtonecineOtonecineME280896-C1035611.36858743185.105359
2-hydroxy-3-carboxy-4,5-cyclopropylhex-5-enoate-ME280862--14.13957275186.0528908
Ala-ProAla-ProME280868--11.51565887186.1004711
N-(3-acetamidopropyl)-4-aminobutanalN-(3-Acetamidopropyl)-4-aminobutanalME280904--7.043112103186.1367796
8-Amino-7-oxononanoate8-Amino-7-oxononanoic acidME280900-C0109211.26778394187.1209407
(-)-3-Cyanomethyl-3-hydroxy-1H-indol-2(3H)-one-ME280627--7.109054622188.0587936
Ile-GlyIle-GlyME280876--11.9773934188.1160534
N6,N6,N6-Trimethyl-L-lysineN-6-TrimethyllysineME280915-C0379321.11209943188.1525557
Thr-AlaThr-AlaME280857--11.73698615190.0953296
3,5,7-Trimethyl-2E,4E,6E,8E-undecatetraene-ME280672--3.903427272190.172152
a Cysteine adduct-ME280849--15.70291054191.0252372
N-AcetylmethionineN-AcetylmethionineME280854-C027125.258838318191.06155
2-amino-3,7-dideoxy-D-threo-hept-6-ulosonate-ME280855--12.92472571191.0795239
5-Hydroxyconiferaldehyde5-HydroxyconiferaldehydeME280712-C122046.705094542194.0580185
D-Glucose oximeGlucosoximeME280833-C0226412.43973786195.0742264
DamascenineDamascenineME280602-C105884.44490345195.0895092
HercynineHercynineME280891-C0557511.668751197.1165156
Pro-SerPro-SerME280869--13.07610867202.0954578
Ile-AlaIle-AlaME280905--12.15033491202.1318187
NG,NG-Dimethyl-L-arginineDimethylarginineME280880-C0362620.95183967202.1430435
N2-Acetyl-L-aminoadipateN-Acetyl-2-aminoadipic acidME280867-C1298611.97201699203.0794933
O-AcetylcarnitineCAR 2:0ME280901-C0257110.39224725203.1157274
L-TryptophanTryptophanME280821-C0007811.32855166204.0899447
N6-Acetyl-N6-hydroxy-L-lysineN(6)-Acetyl-N(6)-hydroxy-lysineME280810-C0395511.52304079204.1108601
3-Hydroxy-N6,N6,N6-trimethyl-L-lysine3-Hydroxy-N6,N6,N6-trimethyl-lysineME280813-C0125919.82232693204.1474036
CantleyineCantleyineME280632-C099334.012788797207.0895913
N-acetyl-demethylphophinothricin-ME280831--15.27010431208.0615047
FA (14:2) tetradecadienal-ME280674--3.903926898208.1827314
p-Lactophenetide-ME280634-C142624.216135638209.105157
[FA oxo(6:0)] N-(3-oxo-hexanoyl)-homoserine lacton...N-(3-Oxo-hexanoyl)-homoserine lactoneME280606-C118394.51480294213.1002795
SulfacetamideSulfacetamideME280861--9.171186918214.0411791
DethiobiotinDethiobiotinME280738-C019098.835969303214.1315869
2-Amino-9,10-epoxy-8-oxodecanoic acid2-Amino-9,10-epoxy-8-oxodecanoic acidME280615-C1202712.29147123215.1158323
Thr-ProThr-ProME280897--11.68042051216.1108736
N-Acetyl-L-citrullineN-AcetylcitrullineME280809-C1553212.5594904217.1059871
O-PropanoylcarnitineCAR 3:0ME280623-C030179.102493325217.1313787
(S)-3-[(Cyanophenylmethyl)amino]-3-oxopropanoic ac...-ME280629--4.843271198218.0692109
L-Ala-L-Glu-ME280870--10.17040055218.090255
Ile-SerIle-SerME280906--8.398690707218.1265517
PantothenatePantothenic acidME280914-C008648.603912258219.1106792
Asp-SerAsp-SerME280852--16.20936975220.0695086
5-Hydroxytryptophan5-Hydroxy-tryptophanME280631-C0101710.25325325220.0848125
N-Acetyl-D-mannosamineN-Acetyl-mannosamineME280703-C0064512.06419768221.0900253
Thr-CysThr-CysME280858--12.21419288222.0673603
6-Acetyl-D-glucose6-AcetylglucoseME280872-C0265514.12302823222.0739758
N-acetyl -D- glucosaminitolN-Acetyl-glucosaminitolME280879--11.75080449223.1055382
1,8-Diazacyclotetradecane-2,9-dione1,8-Diazacyclotetradecane-2,9-dioneME280916-C042774.877822727226.1679322
DeoxycytidineDeoxycytidineME280709-C0088110.03316345227.0905003
Leu-ProLeu-ProME280643--9.387605757228.1473225
ErgothioneineErgothioneineME280892-C0557014.67561632229.0884215
Asn-ProAsn-ProME280893--13.82442375229.106159
Aspartyl-L-prolineAsp-ProME280889--15.62181087230.0902477
Dicyclohexyl disulfideDicyclohexyl disulfideME280661--7.085828435230.1165529
Leu-ValLeu-ValME280647--4.820621258230.1629924
N-(3-oxohexanoyl)-L-homoserine-ME280616--4.825004578231.1107265
O-ButanoylcarnitineCAR 4:0ME280646-C028628.144522717231.1470261
L-CystineCystineME280829-C0049116.35693078240.0237715
PirbuterolPirbuterolME280655-C0780712.20998134240.1473912
MethocarbamolMethocarbamolME280635--4.762949665241.0949627
Hexadeceylamin-ME280692--7.091002308241.2769023
D-myo-Inositol 1,2-cyclic phosphateInositol cyclic phosphateME280828-C0429915.4003693242.0190387
D-erythro-D-galacto-octitolD-Erythro-D-galacto-octitolME280881--15.35363124242.1002813
gamma-Glutamyl-beta-cyanoalaninegamma-Glutamyl-beta-cyanoalanineME280886-C0571113.77304684243.0853688
Biotin amideBiotin amideME280610-C018939.847877268243.1039416
Ala-Gly-ProAla-Gly-ProME280611--12.7229826243.1219204
Lys-ProLys-ProME280645--15.00973327243.1582052
BiotinBiotinME280820-C001208.700762402244.0879291
Glu-ProGlu-ProME280607--15.26930538244.105961
2-MethylbutyroylcarnitineCAR 4:0;2MeME280662--7.344338615245.1626058
Lys-ValLys-ValME280648--21.42796795245.1738718
5-6-Dihydrouridine5,6-DihydrouridineME280890--14.08162277246.0850416
Met-ProMet-ProME280618--8.624443563246.1037167
Leu-AspLeu-AspME280619--12.36498523246.1215219
HypaphorineLenticinME280671-C092138.200712458246.1368102
Asn-AspAsn-AspME280865--16.05404985247.0803858
Glu-ThrGlu-ThrME280898--14.68606057248.1007956
gamma-L-Glutamyl-L-cysteinegamma-GlutamylcysteineME280871-C0066911.58593339250.0621893
3-Oxohexobarbital3-OxohexobarbitalME280650-C025174.384061128250.0953179
Muramic acidMuramic acidME280903-C0647014.47141475251.1004015
FA (16:2)Hexadecadienoic acidME280687--3.894719355252.2088309
Dihydroferuloylglycine-ME280652--4.299681708253.094958
sn-glycero-3-Phosphocholinesn-Glycero-3-phosphocholineME280902-C0067013.96497791257.1024116
4a-Hydroxytetrahydrobiopterin4a-HydroxytetrahydrobiopterinME280894-C1552214.20173813257.1120157
Glu-Ala-Gly-CHO-ME280613--11.04685938259.1168278
Glu-LeuGlu-LeuME280644--10.33635671260.1371712
LotaustralinLotaustralinME280641-C0833412.69646505261.1211409
Ser-ArgSer-ArgME280908--16.29660373261.1441033
ThiaminThiamineME280653-C0037820.5957084264.1044029
AgaritinalAgaritinalME280651--7.082916272265.106043
Tributyl phosphateTributyl phosphateME280666-C144393.832989928266.164639
AdenosineAdenosineME280597-C002128.518891485267.0967126
Asn-HisAsn-HisME280605--12.90276038269.1122578
UndecanoylcholineUndecanoylcholineME280690--4.031165217271.2511629
(2,6-anhydro-3-deoxy-D-arabino-heptulopyranosid)on...-ME280856--16.39038078272.0298651
Val-ArgVal-ArgME280649--13.12698222273.1803506
Ala-Ala-AsnAla-Ala-AsnME280620--13.01945218274.127917
Cys-Gly-ProCys-Gly-ProME280612--9.85420096275.0939318
Thr-ArgThr-ArgME280625--15.36289506275.1594171
Glu-GluGlu-GluME280608-C0142517.03409512276.0961831
2-chlorohexadecanol2-ChlorohexadecanolME280689--6.930031313276.222169
Met-Ala-GlyMet-Ala-GlyME280622--12.35172334277.1092429
N-(1-Deoxy-1-fructosyl)proline-ME280642--12.15387247277.1162226
LinoleamideLinoleamideME280699--3.932650867279.2563332
[FA (18:1)] 9Z-octadecenamideOleamideME280701--3.886438238281.2719181
Lys-HisLys-HisME280657--15.61002264283.1643622
Lauroyl diethanolamideLauroyl diethanolamideME280691--3.93113713287.2460184
Asn-ArgAsn-ArgME280624--16.1706646288.1545389
Ala-Asn-SerAla-Asn-SerME280621--16.76989215290.1227231
N-(1-Deoxy-1-fructosyl)isoleucine-ME280663--9.620767897293.1474105
5'-methylthioformycin-ME280633--5.579188175297.089571
[SP] Sphing-4-enineSphingosineME280704-C003194.107410408299.2824453
5-Nitro-2-(3-phenylpropylamino)benzoic acidNPPBME280681-C137054.474715698300.1108482
[SP amino(18:0/2:0)] 2S-aminooctadecane-1,3R-diol-ME280705--7.086826778301.2981999
ConvicineConvicineME280604-C0843019.03065038305.085935
Glu-Ala-SerGlu-Ala-SerME280639--14.61003146305.1224473
GlutathioneGlutathioneME280737-C0005118.61850593307.0838992
psicoselysinePsicosyllysineME280664--20.71446803308.1582696
gamma-Glutamyl-Se-methylselenocysteinegamma-Glutamyl-Se-methylselenocysteineME280811-C0569516.41633338312.0220164
(+)-ProsopinineProsopinineME280702-C101677.11599856313.2617511
Ala-Ala-Ala-Ser-ME280659--17.60385582318.1536343
N6-Galacturonyl-L-lysine-ME280658--14.69985129322.13744
6,7-Dimethyl-8-(1-D-ribityl)lumazine6,7-Dimethyl-8-(1-D-ribityl)lumazineME280667-C0433213.18775357326.1225989
Nicotinamide D-ribonucleotideNicotinamide ribotideME280600-C0045514.82477351334.0564564
Lys-Thr-SerLys-Thr-SerME280670--15.06466893334.1853544
PipericineNAPipericineME280714--3.848536953335.31941
N2-Fructopyranosylarginine-ME280665--17.73840052336.164703
Ile-Ile-ProIle-Ile-ProME280694--12.43660226341.2315077
Ala-Val-Gly-Pro-ME280680--9.49860367342.1900043
Asp-Gly-ArgAsp-Gly-ArgME280660--17.51195507346.1596763
AMPAMPME280819-C0002013.58070644347.0630541
S-(2-Hydroxyethyl)glutathioneS-(2-Hydroxyethyl)glutathioneME280656-C1487514.11138629351.1098071
Glu-Cys-CysGlu-Cys-CysME280638--11.48338069353.0711968
PhenolsulfonphthaleinPhenolsulfonphthaleinME280706-C126007.037705788354.0561152
Ile-Lys-ProIle-Lys-ProME280695--20.5013941356.2423097
Trp-Cys-GlyTrp-Cys-GlyME280683--8.353912095364.120123
Glu-Met-SerGlu-Met-SerME280669--13.38015356365.1258311
[ST] (5Z,7E)-9,10-seco-5,7,10(19)-cholestatriene3-Deoxyvitamin D3ME280733--3.514756722368.3442941
Glu-Glu-ProGlu-Glu-ProME280679--17.18319812373.1485132
Ala-Leu-Thr-Ala-ME280688--13.94748848374.2165397
Ile-Cys-PheIle-Cys-PheME280697--7.799539107381.1719825
Cys-Phe-Gly-Gly-ME280684--10.01011857382.1310535
N-AcetyllactosamineN-AcetyllactosamineME280675-C0061113.22365774383.1429039
Asn-Gly-Pro-Pro-ME280686--11.06555113383.1803499
S-Adenosyl-L-homocysteineS-AdenosylhomocysteineME280824-C0002112.96989204384.121625
S-Adenosyl-L-methionineS-AdenosylmethionineME280825-C0001915.86211376398.1372557
O-Palmitoyl-R-carnitineCAR 16:0ME280754-C029904.24679149399.3348105
UDPUDPME280912-C0001516.69873363404.0023846
Met-Phe-AspMet-Phe-AspME280696--10.36960856411.1466255
HeptadecanoylcarnitineCAR 17:0ME280719--4.20453922413.3504383
Asp-Val-Pro-Ser-ME280693--9.834137257416.1908737
O-9Z,12Z-Hexadecadienoyl-R-carnitine-ME280724--4.196686613423.3350601
OleoylcarnitineCAR 18:1ME280725--4.175237255425.350591
Asp-Cys-Cys-SerS-Glutathionyl-cysteineME280668--17.0858622426.0878429
ADPADPME280598-C0000815.06711213427.0292176
StearoylcarnitineCAR 18:0ME280726--4.164296473427.3662307
(24R,24'R)-Fucosterol epoxide(3beta,24R,24'R)-Fucosterol epoxideME280735-C039103.634025002428.3656909
Asn-Leu-Pro-Pro-ME280711--10.28779322439.2432116
Asp-Thr-Cys-Cys-ME280673--16.64281501440.1034147
Nebrosteroid MNebrosteroid MME280736--3.682334933446.3759822
PC(14:1)PC 14:1ME280715--4.367521837451.3065261
LysoPE(18:1)LPE 18:1ME280717--4.323769273465.3222088
LysoPE(O-18:0)LPE O-18:0ME280718--4.426557165467.3370005
CMP-N-trimethyl-2-aminoethylphosphonateCMP-2-trimethylaminoethylphosphonateME280676-C0567414.0264016472.1128858
LysoPC(O-16:1)LPC O-16:1ME280720--4.260597393479.3378783
[LysoPC(16:2)] 1-hexadecyl-sn-glycero-3-phosphocho...LPC O-16:0ME280722-C139034.344420918481.353021
Ala-Glu-Glu-His-ME280707--15.69402724484.1926009
CDP-cholineCDP-cholineME280601-C0030715.09366727488.1079821
LysoPE(P-20:0)LPE P-20:0ME280727--4.224774838493.3534442
LysoPC(16:0)LPC 16:0ME280721-C042304.310090832495.3331388
LysoPE(20:4)LPE 20:4ME280723--4.199879092501.2850579
ATPATPME280716-C0000216.5178263506.9959292
LysoPC(O-18:0)LPC O-18:0ME280732-C043174.25056075509.3850018
PC(18:2)PC 18:2ME280729--4.247176612519.3323171
LysoPC(18:1)LPC 18:1ME280730--4.21765033521.3485815
LysoPC(18:0)LPC 18:0ME280731-C042304.207343487523.3644213
[SP (16:0)] N-(hexadecanoyl)-sphing-4-enineCer 18:1;O2/16:0ME280739-C001953.584786537537.5129607
Cys-Trp-Ser-Tyr-ME280728--8.887692377557.1951986
Montecristin-ME280740--3.486267623574.4953718
Cohibin C-ME280741--3.515354162576.5106242
1-(14-methyl-pentadecanoyl)-2-(8-[3]-ladderane-oct...-ME280747--3.488995508602.5265494
GDP-mannoseGDP-mannoseME280685-C0009618.59473728605.0771895
Glutathione disulfideOxidized glutathioneME280752-C0012717.46228842612.1516741
HemeHemeME280794-C0003210.96889762615.1691968
Cer(d40:2)Cer 40:2;O2ME280757--3.568712503619.5904018
DG(38:6)DG 38:6ME280762--3.827691495640.5066147
[SP (24:0)] N-(15Z-tetracosenoyl)-sphing-4-enineCer 18:1;O2/24:1ME280770-C001953.571072108647.621477
NAD+NAD+ME280753-C0000313.70933079663.1095567
cyclic GMP-AMP-ME280708--13.71968531674.0992835
SM(d32:1)SM 32:1;O2ME280744--3.987641677674.5360928
SM(d33:1)SM 33:1;O2ME280746--4.013384287688.5525019
PE(32:1)PE 32:1ME280742--3.488726278689.4990802
PE(32:0)PE 32:0ME280743--3.484548393691.5148107
SM(d34:2)SM 34:2;O2ME280750--3.958245517700.5518457
SM(d34:1)SM 34:1;O2ME280751--3.967703785702.5676189
PC(30:0)PC 30:0ME280745--3.74532949705.5303563
PE(34:3)PE 34:3ME280748--3.644421798713.4994153
Trp-Trp-Tyr-Tyr-ME280755--10.58126041716.2953581
SM(d35:1)SM 35:1;O2ME280761--3.954358663716.5826639
PE(34:1)PE 34:1ME280749--3.634917632717.529556
PE(P-36:4)PE P-36:4ME280764-C003503.632333653723.52062
PE(P-36:2)PE P-36:2ME280766-C003503.639025643727.5523822
SM(d36:2)SM 36:2;O2ME280767--3.92988557728.584213
SM(d36:1)SM 36:1;O2ME280768-C005503.920928847730.5996098
PC(32:1)PC 32:1ME280759-C001573.724998718731.5462861
PC(32:0)PC 32:0ME280760--3.70471699733.5624372
PE(36:5)PE 36:5ME280763--3.67667339737.4991236
PE(36:4)PE 36:4ME280765--3.643959305739.5140045
NADP+NADP+ME280713-C0000616.78854808743.0759505
PE(P-38:5)PE P-38:5ME280774-C003503.602097752749.5349396
PE(O-38:5)PE O-38:5ME280775-C003503.612757697751.5520735
SM(d38:2)SM 38:2;O2ME280778--3.882201933756.6140181
PC(34:2)PC 34:2ME280769--3.712195913757.56204
PC(34:1)PC 34:1ME280772--3.697762275759.5773111
PS(34:1)PS 34:1ME280756--3.494078205761.5199685
PE(38:6)PE 38:6ME280773--3.631191038763.5154052
PS(34:0)PS 34:0ME280758--3.463884295763.5358215
PE(38:2)PE 38:2ME280776--4.225509623771.576818
PE(38:1)PE 38:1ME280777--3.676053527773.5931547
PE(P-40:5)PE P-40:5ME280781--3.590516658777.5685189
SM(d40:2)SM 40:2;O2ME280783--3.800557053784.6473428
PC(36:2)PC 36:2ME280779--3.676178943785.5931563
SM(d40:1)SM 40:1;O2ME280784-C005503.803845845786.6622035
PC(36:1)PC 36:1ME280780--3.661457248787.607986
PS(36:0)PS 36:0ME280771--3.44378397791.566389
SM(d41:2)SM 41:2;O2ME280788--3.803281095798.6623685
SM(d41:1)SM 41:1;O2ME280789--3.795685328800.6763804
PC(38:6)PC 38:6ME280785--3.678735258805.5622979
PC(38:5)PC 38:5ME280786--3.665030142807.5776985
PC(38:4)PC 38:4ME280787--3.648687177809.5929266
SM(d42:2)SM 42:2;O2ME280790-C005503.7604286812.6780334
PC(40:7)PC 40:7ME280791--3.655266028831.5775611
PC(40:6)PC 40:6ME280792--3.646025007833.5932942
3-Butynoate3-Butynoic acidME280795-C0614414.2842955484.02105814
SM(d44:2)SM 44:2;O2ME280793--3.767903915840.7083897
4-Aminobutanal4-AminobutyraldehydeME280798-C0055510.6852041187.06836476
[PI(36:0)PI 36:0ME280782--3.503340692879.5850147
L-AlanineAlanineME280614-C0004114.4001146589.04762932
N-dimethylethanolamine-ME280796--17.5277012389.08402647
1-Methyl-1,3-cyclohexadiene1-Methyl-1,3-cyclohexadieneME280850--3.90666415794.0782018
xi-4,5-Dihydro-2,4(5)-dimethyl-1H-imidazole-ME280802--10.572240198.08445824
N-Methyl-2-pyrrolidinone2-PyrrolidinoneME280818-C111187.01998995299.06833433


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
[FA (6:0)] hexanalCaproaldehydeME281072-C023733.907058652100.0887545
2-Oxobutanoate3-Methyl pyruvic acidME281037-C0010914.81212669102.0316567
3-Amino-2-oxazolidone-ME281010--7.064345655102.042857
3-Methylbutanoic acidIsovaleric acidME281048-C082627.04504712102.0680097
HydroxymethylphosphonateHydroxymethylphosphonic acidME281130-C0645514.60905355111.9925603
UracilUracilME281036-C001067.056838778112.0272293
Trifluoroacetic acid-ME280999--14.59225632113.9929167
2-Hydroxy-2,4-pentadienoate2-Hydroxypenta-2,4-dienoic acidME281057-C0059614.81067145114.0317065
Hexanoic acidCaproic acidME281063-C015854.778418688116.0837095
TaurineTaurineME280923-C0024515.33335974125.0147413
2-Hydroxyethanesulfonate2-HydroxyethanesulfonateME280998-C0512311.42935449125.9987127
ThymineThymineME281087-C001787.093263642126.042916
FA (8:1) octenal-ME281103--3.927288573126.1044465
Dihydro-4,4-dimethyl-2,3-Furandione2-DehydropantolactoneME281082-C011254.86581721128.0473543
5-OxoprolinePyroglutamic acidME281093-C0187910.40898943129.0425998
(S)-3-Methyl-2-oxopentanoic acid(S)-3-Methyl-2-oxopentanoic acidME280939-C006717.106020127130.063004
FA methyl(6:0)-ME281090--4.46029941130.0993725
(S)-2-Acetolactate(S)-2-AcetolactateME281064-C0601014.83598763132.0423166
L-AspartateAspartic acidME281079-C0004915.10877726133.0375572
(S)-MalateMalic acidME281078-C0014916.5937741134.0216218
[FA trihydroxy(4:0)] 2,3,4-trihydroxy-butanoic aci...Threonic acidME281041-C0162012.78541547136.0372622
5-Acetyl-2,4-dimethyloxazole5-Acetyl-2,4-dimethyloxazoleME281098--7.525076597139.0633287
FA (8:1)Octenoic acidME281104--4.278770403142.0994206
N-NitrosoprolineN-NitrosoprolineME281062-C1948514.32103274144.0533204
FA oxo(7:0)-ME281086--7.069578973144.0786518
FA (8:0) octanoic acidCaprylic acidME281125-C064234.200034767144.1150239
2-Oxoglutaramate2-Keto-glutaramic acidME281061-C0094010.90490802145.0375142
2-Oxoglutarate2-Oxoglutaric acidME281092-C0002616.24395411146.0216053
FA hydroxy(7:0)-ME281091--4.59722013146.0942715
(R)-2-Hydroxyglutarate2-Hydroxyglutaric acidME281047-C0108715.65967702148.0372185
meso-Tartaric acidMeso-tartaric acidME281039-C0055219.81430752150.0165047
D-RiboseRiboseME281040-C0012112.21486092150.0528847
L-HistidineHistidineME280946-C0013514.29473444155.0695018
ArecolineArecolineME281101-C101296.86306611155.0946226
2-Hydroxy-6-keto-2,4-heptadienoate2-Hydroxy-6-keto-2,4-heptadienoateME281096-C062107.082136637156.0423056
(S)-Dihydroorotate4,5-Dihydroorotic acidME281088-C0033711.52817625158.0328034
2-IsopropylmaleateIsopropylmaleateME281083-C026316.99748101158.0578802
FA oxo(8:0) oxo-octanoic acid-ME281105--6.952597695158.094304
Indole-3-acetaldehydeIndoleacetaldehydeME281066-C006374.603569055159.0683904
2-Methyl-4-propyl-1,3-oxathiane2-Methyl-4-propyl-1,3-oxathianeME281114--4.637072793160.0920029
FA hydroxy(8:0) hydroxy-octanoic acidHydroxyoctanoic acidME281111--6.990776403160.1099219
para-TrifluoromethylphenolPara-TrifluoromethylphenolME281094--4.268796667162.0292483
L-Rhamnono-1,4-lactoneL-Rhamnono-1,4-lactoneME281049-C029917.96530742162.052844
3-Methyldioxyindole3-MethyldioxyindoleME281058-C058344.730049993163.0633376
D-ArabinonateArabinonic acidME281050-C0087813.40715634166.0475435
PhosphoenolpyruvatePhosphoenolpyruvic acidME281071-C0007418.10339407167.9824681
Furfural diethyl acetal-ME281123-C142803.960377075170.0943945
sn-Glycerol 3-phosphatesn-Glycero-3-phosphateME281077-C0009315.04351688172.0137169
2-Octenedioicacid2-Octenedioic acidME281100--6.858602878172.0735516
9-Oxononanoic acid9-Oxo-nonanoic acidME281126-C163224.503734475172.1099744
cis-Aconitatecis-Aconitic acidME281081-C0041718.62176443174.0164813
FA hydroxy(9:0) hydroxy-nonanoic acid-ME281129--4.203311793174.1255486
N-Carbamoyl-L-aspartateCarbamoylaspartateME281043-C0043817.321705176.0433834
L-CladinoseL-CladinoseME281112-C119174.607420387176.1048771
PyrophosphatePyrophosphateME281060-C0001316.87499617177.943291
D-Glucono-1,5-lactoneGluconolactoneME281051-C0019812.39790382178.0478325
5-Methylthio-D-ribose5-MethylthioriboseME281074-C030897.142849633180.0456408
D-FructoseFructoseME281108-C0009517.15150872180.0634858
MannitolMannitolME281120-C0039213.88398252182.0790766
3-Phospho-D-glycerate3-Phosphoglyceric acidME281076-C0019717.3869168185.9929384
Benzyl sulfateBenzyl sulfateME281097--4.438113433188.0142898
Asp-GlyAsp-GlyME281068--16.93024993190.0591158
CitrateCitric acidME281121-C0015818.826543192.0270997
QuinateQuinic acidME280954-C0029612.98714658192.0634851
D-GalacturonateGalacturonic acidME281069-C0033314.89629681194.0427257
1-thio-β-D-glucose-ME281075--8.655935532196.0404944
D-Gluconic acidGluconic acidME280942-C0025713.86670492196.0583413
Clavulanic acidClavulanateME281119-C066627.212716287199.0481023
Ala-AspAla-AspME281085--16.60948524204.0747158
N-Acetyl-D-fucosamineN-Acetyl-D-fucosamineME281106-C1548010.20650668205.0949927
Thr-SerThr-SerME281089--12.40882091206.0902758
alpha-Ironealpha-IroneME280940-C096903.90103102206.1670138
4-HydroxyphenylacetylglycineHydroxyphenylacetylglycineME280917-C055967.079472972209.0688304
(-)-Jasmonic acidJasmonic acidME281008-C084913.997185922210.1256215
P-DPD-ME281067--13.11997149212.0086579
2-Benzothiazolesulfonamide-ME281095-C141819.930491638213.98699
3-Oxododecanoic acid3-Oxododecanoic acidME280933-C023673.90923016214.1569059
sn-glycero-3-Phosphoethanolaminesn-Glycero-3-phosphoethanolamineME281055-C0123315.42705905215.0559391
N-NonanoylglycineN-NonanoylglycineME280930--7.011132068215.1521847
2-C-Methyl-D-erythritol 4-phosphate-ME281042-C1143414.26513523216.040015
N-Acetyl-D-mannosaminolactoneN-Acetyl-D-mannosaminolactoneME281102-C0377614.19402082219.07426
AMCCN-Acetyl-S-(n-methylcarbamoyl)cysteineME281084-C114908.69049356220.0517125
7E,9E,11-Dodecatrienyl acetate7E,9E,11-Dodecatrienyl acetateME280941--6.665376158222.16198
4-Amino-4-deoxychorismate4-Amino-4-deoxychorismic acidME280918-C1135513.7651804225.0636738
1,8-Diazacyclotetradecane-2,9-dione1,8-Diazacyclotetradecane-2,9-dioneME280932-C042776.945939347226.1680124
Tetradecanoic acidMyristic acidME281009-C064246.783891673228.208843
D-Ribose 5-phosphateRibose 5-phosphateME280925-C0011715.83198234230.0191905
Met-SerMet-SerME281109--10.57103974236.0827285
N-Acetyl-D-glucosaminateN-acetyl-glucosaminic acidME281107-C0113312.60112886237.085003
HEPES-ME281115--10.5796764238.0984705
SecobarbitalSecobarbitalME280931--6.993660613238.1316758
D-glycero-L-galacto-Octulose-ME281113--13.98522914240.0845885
FA methyl(14:0)-ME280947-C166653.700142232242.2245761
FA methyl(14:0) dodecanedioic acidDodecanedioic acidME280937--7.117083863244.1672956
Glycerophosphoglycerolsn-Glycero-3-phosphoglycerolME281080-C0327412.82836765246.0504556
N-Succinyl-L-glutamateN2-SuccinylglutamateME281122-C0593114.51103848247.0690292
3-beta-D-Galactosyl-sn-glycerolGalactosylglycerolME281056-C0540113.47044105254.1001387
FA(16:1)Hexadecenoic acidME280949-C083623.691501425254.2245272
1-(9H-Pyrido[3,4-b]indol-1-yl)-1,4-butanediol-ME280944--7.070042978256.1208299
FA(16:0)Palmitic acidME280952-C002493.672998573256.2400938
FA methyl(15:0) tridecanedioic acidTridecanedioic acidME280943--3.956334252258.1830219
D-Glucose 6-phosphateGlucose 6-phosphateME281116-C0009217.044391260.0296861
D-Mannitol 1-phosphateMannitol 1-phosphateME281053-C0064415.38034965262.0452683
Monoglyceride citrateMonoglyceride citrateME281124--11.33254868266.0642706
sodium dodecyl sulfate-ME280936--3.568883343266.154901
2(alpha-D-Mannosyl)-D-glycerate2-(alpha-D-mannosyl)-D-glyceric acidME281127-C1154415.08841222268.0795023
FA methyl(16:1)-ME280956--3.669777872268.2401251
FA oxo(16:0)-ME280950--3.826309192270.2194342
FA (17:0)Margaric acidME280957--3.647645407270.2557258
[FA (18:3)] 9Z,12Z,15Z-octadecatrienoic acidalpha-Linolenic acidME280961-C064273.67131787278.2245275
LinoleateLinoleic acidME280921-C015953.65261925280.2401817
[FA (18:1)] 9Z-octadecenoic acidOleic acidME280922-C007123.637127878282.2557959
Octadecanoic acidStearic acidME281070-C015303.622658903284.2715072
OrotidineOrotidineME280919--12.6891759288.0594113
Ile-Ala-SerIle-Ala-SerME280934--11.08981488289.1637221
D-Sedoheptulose 7-phosphateD-Sedoheptulose 7-phosphateME281054-C0538216.38744613290.0404075
2,7-Anhydro-alpha-N-acetylneuraminic acidN-Acetyl-2,7-anhydro-alpha-neuraminic acidME280926-C0452112.54956188291.0953798
Thr-Ser-SerThr-Ser-SerME280924--14.82034418293.1225627
PhytuberinPhytuberinME280953-C097093.794456323294.1831076
FA oxo(18:0)-ME280963--3.721832192298.251057
FA methyl(18:0)-ME280968--3.607352882298.287386
D-4'-Phosphopantothenate(R)-4'-Phosphopantothenic acidME281128-C0349215.26751054299.0770704
FA hydroxy(18:0)-ME280965--3.699570408300.2665998
N-Acetyl-D-glucosamine 6-phosphateN-Acetyl-glucosamine 6-phosphateME281110-C0035714.77692118301.0564183
xi-8-Hydroxyhexadecanedioic acidxi-8-Hydroxyhexadecanedioic acidME280951--3.859301417302.2095371
[PR] Abietic acidAbietic acidME281012-C060873.643871388302.2246807
FA (20:4)Arachidonic acidME280970-C002193.62079309304.2404062
KinobscurinoneKinobscurinoneME280958-C1239114.20525704306.0522916
Icosatrienoic acidETrE(11Z,14Z,17Z)ME280971-C165223.620448402306.2562054
N-Undecylbenzenesulfonic acidN-Undecylbenzenesulfonic acidME280955--3.562765542312.176039
FA (20:0)Arachidic acidME280973-C064253.591901138312.3029358
Margaroyl-EAMargaroyl-EAME280969--3.599080668313.2974958
FA hydroxy(18:1)]-ME280964--3.908817568314.2457903
(1R*,3R*,3'S*)-1,2,3,4-Tetrahydro-1-(2-thio-3-pyrr...-ME280948--14.81155544315.1045482
2-Dodecylbenzenesulfonic acid2-Dodecylbenzenesulfonic acidME280962--3.544022395326.1916444
DocosahexaenoicacidDocosahexaenoic acidME280977-C064293.605244667328.2405257
[FA (22:5)] 7Z,10Z,13Z,16Z,19Z-docosapentaenoic ac...DPAME280978-C165133.608269183330.2563055
mercuriphenyl acetate-ME281118-C111519.925270023338.0229052
D-Fructose 1,6-bisphosphateFructose 1,6-bisphosphateME281052-C0035418.34294637339.9963625
Tyr-TyrTyr-TyrME280960--4.191100638344.137335
alpha,alpha'-Diethyl-4,4'-bis(2-propynyloxy)stilbe...-ME280984-C150663.841932047344.177879
IMPIMPME281065-C0013015.46557731348.0472419
Met-Cys-CysMet-Cys-CysME280929--18.6192949355.0687217
2-Hydroxy-1,3-dimethoxy-8,9-methylenedioxycoumesta...2-Hydroxy-1,3-dimethoxy-8,9-methylenedioxycoumestanME280959--7.041133347356.0533284
Caffeic acid 4-O-glucuronideCaffeic acid 4-O-glucuronideME280945--14.3374111356.0743944
Miraxanthin-IMiraxanthin-IME280938-C0855414.94794628358.0837031
13-14-DihydroPGF-1a-ME280972--3.872311125358.2719631
AtovaquoneAtovaquoneME280976-C068353.677378337366.1024243
GalactinoldihydrateGalactinolME280935--13.85508632378.1372095
[SP] Sphinganine-1-phosphateSphinganine 1-phosphateME280966-C011207.090089083381.2645665
TiotropiumTiotropiumME280967--12.8756732392.0995232
UrsodiolUrsodeoxycholic acidME280985-C078806.806530192392.2918921
Bile salt-ME280986-C015587.065349335408.2874987
CMP-2-aminoethylphosphonateCMPciliatineME280927-C0567315.10679807430.0655556
CDP-ethanolamineCDP-EthanolamineME280928-C0057016.26954199446.060449
ChenodeoxyglycocholateGlycochenodeoxycholic acidME280992-C054624.339153285449.3144813
Sambutoxin-ME280996--4.342884957453.2886902
3a-7b-12a-Trihydroxyoxocholanyl-Glycine-ME280993--4.785391347465.3087075
Ala-Leu-Trp-Ser-ME280980--7.104514628475.2427765
LysoPE(18:2)LPE 18:2ME280982--4.273420292477.2852035
LysoPE(18:0)LPE 18:0ME280983--4.233794858481.3162658
[PG (16:0)] 1-hexadecanoyl-sn-glycero-3-phospho-(1...-ME280979--3.691935897484.2798831
Ala-Met-Asp-Tyr-ME280975--10.5561023498.1789653
[PG (18:1)] 1-(9E-octadecenoyl)-sn-glycero-3-phosp...-ME280988--3.657599065510.2953922
[PG (18:0)] 1-octadecanoyl-sn-glycero-3-phospho-(1...-ME280990--3.633561853512.3108899
[PS(18:1)] 1-(9Z-octadecenoyl)-sn-glycero-3-phosph...-ME280987--3.94798921523.2909313
PS(18:0)PS 18:0ME280989--3.930096778525.3069563
LysoPE(22:4)LPE 22:4ME280995--4.117546082529.3160997
Arg-Lys-Pro-His-ME280981--28.31865227536.3188866
Ile-Lys-Gln-Tyr-ME280991--27.85897985550.3123679
[PC acetyl(18:2)] 1-(9Z,12Z-octadecadienoyl)-2-ace...-ME280997--3.746548287561.3432375
Cer(d36:1)Cer 36:1;O2ME281001--3.623985958565.5434462
UDP-glucoseUDP-glucoseME281011-C0002916.69042107566.0554192
UDP-N-acetyl-D-glucosamineUDP-N-acetylglucosamineME280920-C0004315.29590065607.0810222
PE(30:4)PE 30:4ME281000--7.076622073655.4204213
Deamino-NAD+-ME280974-C0085714.22336348664.0928141
PA(34:2)PA 34:2ME281002--3.48342404672.4727743
PA(34:1)PA 34:1ME281003--3.483139102674.4891983
PA(36:4)PA 36:4ME281004--3.500761908696.4731141
PA(36:3)PA 36:3ME281005--3.470508987698.4887012
PA(36:2)PA 36:2ME281006-C004163.469388795700.5041221
PA(O-38:5)PA O-38:5ME281014--3.455490068708.5091762
PE(34:2)PE 34:2ME281007--3.697152892715.515062
PE(36:2)PE 36:2ME281015-C003503.650862493743.5468473
PE(36:1)PE 36:1ME281016--3.618083645745.5608097
PG(34:1)PG 34:1ME281013--3.426794248748.5254997
PE(38:5)PE 38:5ME281023--3.615175792765.5306722
PE(38:4)PE 38:4ME281024-C003503.611234893767.5460576
PG(36:2)PG 36:2ME281020--3.420428863774.54213
PG(36:1)PG 36:1ME281022--3.422270208776.5564168
PS(36:4)PS 36:4ME281017--3.49624136783.506109
PS(36:3)PS 36:3ME281018--3.491785915785.5219576
PS(36:2)PS 36:2ME281019--3.492650972787.5376965
PS(36:1)PS 36:1ME281021--3.48848047789.5526783
PG(38:5)PG 38:5ME281027--3.42016603796.5254165
PS(38:6)PS 38:6ME281025--3.495082073807.5052903
PS(38:5)PS 38:5ME281026--3.483419893809.5216197
PS(38:4)PS 38:4ME281028--3.481935272811.5374315
PG(40:5)PG 40:5ME281033--3.425313148824.5566511
PS(40:5)PS 40:5ME281032--3.478070528837.5525727
PS(40:4)PS 40:4ME281034--3.475072773839.5682005
2-Decaprenyl-3-methyl-6-methoxy-1-4-benzoquinone-ME281046--3.927183645848.6666759
PI(36:4)PI 36:4ME281029--3.489101297858.5259117
PI(36:3)PI 36:3ME281030--3.495089757860.5409644
PI(36:2)PI 36:2ME281031--3.499820832862.5587927
PyruvatePyruvic acidME281038-C000228.5683330288.01598698
dihydrogeranylgeranyl-bacteriopheophytin-ME281044--3.491182685884.543734
tetrahydrogeranylgeranyl-bacteriopheophytin-ME281045--3.487896157886.5595159
(S)-LactateLactic acidME281073-C001869.85793106390.03166843
PI(40:5)PI 40:5ME281035--3.48430835912.5744218
Sulfate-ME281131-C0005916.6360366497.96742571
OrthophosphatePhosphoric acidME281059-C0000918.9600574797.97685522


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