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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
HypoxanthineHypoxanthineME136672-C0026210.09707494136.0384915
AMPAMPME136673-C0002013.30788041347.0630472
ThiaminThiamineME136674-C0037821.53891007264.1043786
sn-glycero-3-Phosphocholinesn-Glycero-3-phosphocholineME136675-C0067014.27829933257.1027633
Choline phosphateCholine phosphateME136676-C0058814.62109971183.0660852
ADPADPME136677-C0000814.65877426427.0291868
NADP+NADPME136678-C0000616.48983955371.5374417
4-Aminobutanoategamma-Aminobutyric acidME136679-C0033415.29042238103.0633277
L-ValineValineME136680-C0018312.39417774117.0789715
L-LeucineLeucineME136681-C0012310.80621863131.0946316
L-PhenylalaninePhenylalanineME136682-C0007910.15781914165.079021
L-SerineSerineME136683-C0006515.65857428105.042605
L-TyrosineTyrosineME136684-C0008212.90254916181.0739881
L-IsoleucineIsoleucineME136685-C0040711.22068157131.0946285
L-CitrullineCitrullineME136686-C0032715.75908327175.0957264
L-MethionineMethionineME136687-C0007311.48913424149.0510874
L-CarnitineCarnitineME136688-C0048713.1266956161.1051989
GlutathioneGlutathioneME136689-C0005114.04745857307.0837238
BetaineBetaineME136690-C0071911.17185368117.078948
L-OrnithineOrnithineME136691-C0007722.10206887132.0898612
L-ArginineArginineME136692-C0006224.08009834174.1116513
4-Trimethylammoniobutanoate3-DehydroxycarnitineME136693-C0118113.18084564145.1102792
CholineCholineME136694-C0011420.90107132103.0996933
L-GlutamineGlutamineME136695-C0006414.97367939146.0690987
S-Adenosyl-L-methionineS-AdenosylmethionineME136696-C0001916.41317304398.1371786
N-Carbamoyl-L-aspartateCarbamoylaspartateME136697-C0043816.56102383176.0432272
GuanineGuanineME136698-C0024212.26473261151.0494609
5,6-DihydrothymineDihydrothymineME136699-C0090614.62024706128.0585434
UDPUDPME136700-C0001516.14450688404.0023862
dGDPdGDPME136701-C0036113.88748176427.0288991
AdenineAdenineME136702-C001479.529133313135.054512
PyridoxalPyridoxalME136703-C002508.027296575167.0581376
6,7-Dimethyl-8-(1-D-ribityl)lumazine6,7-Dimethyl-8-(1-D-ribityl)lumazineME136704-C0433212.77763237326.1225128
PyridoxinePyridoxineME136705-C003148.117472393169.073889
8-Amino-7-oxononanoate8-Amino-7-oxononanoic acidME136706-C0109211.49271215187.1209842
[SP] Sphing-4-enineSphingosineME136707-C003194.782811997299.2825704
[FA] O-Palmitoyl-R-carnitineCAR 16:0ME136708-C029904.552395923399.3348364
CDP-cholineCDP-cholineME136709-C0030715.05854523488.1074256
sn-glycero-3-Phosphoethanolaminesn-Glycero-3-phosphoethanolamineME136710-C0123315.48902607215.0561443
L-threo-3-Methylaspartate-ME136711-C0361815.6462672147.0531471
L-PipecolatePipecolic acidME136712-C0040812.29450369129.079002
N2-(D-1-Carboxyethyl)-L-arginineD-OctopineME136713-C0413713.96832471246.1328703
S-Adenosyl-L-homocysteineS-AdenosylhomocysteineME136714-C0002113.38052277384.1216143
L-AlanineAlanineME136715-C0004114.5461933889.04768286
L-Methionine S-oxideMethionine sulfoxideME136716-C0298913.49902482165.0460401
L-ThreonineThreonineME136717-C0018814.35878821119.0582591
HomocarnosineHomocarnosineME136718-C0088414.11023878240.1221814
L-AsparagineAsparagineME136719-C0015215.1818477132.053502
4-Oxoproline4-Oxo-prolineME136720-C0187711.37625886129.0426103
LL-2,6-Diaminoheptanedioate2,6-Diaminopimelic acidME136721-C0066614.03533359190.0952588
5-Acetamidopentanoate5-Acetamidovaleric acidME136722-C0308712.1354605159.0895917
5-Guanidino-2-oxopentanoate2-OxoarginineME136723-C0377114.10514632173.0801323
N6-Acetyl-N6-hydroxy-L-lysineN(6)-Acetyl-N(6)-hydroxy-lysineME136724-C0395511.74463256204.1109297
CreatineCreatineME136725-C0030014.51183959131.0694064
N-AcetylputrescineN-AcetylputrescineME136726-C0271419.63704705130.1106284
N6,N6,N6-Trimethyl-L-lysineN-6-TrimethyllysineME136727-C0379321.64594836188.1525053
CreatinineCreatinineME136728-C007919.694304698113.0589299
L-Glutamate 5-semialdehydeL-Glutamic-gamma-semialdehydeME136729-C0116514.29252651131.0584096
(S)-1-Pyrroline-5-carboxylate1-Pyrroline-5-carboxylic acidME136730-C039128.332083534113.0476957
LinatineLinatineME136731-C0593910.98908554259.1171286
Asp-Gly-ArgAsp-Gly-ArgME136732--15.59074488346.1598489
Ala-Asp-CysAla-Asp-CysME136733--15.44646942307.083912
Glu-Met-SerGlu-Met-SerME136734--11.68876403365.1255241
Ile-Lys-ProIle-Lys-ProME136735--21.25810251356.2422265
Ile-Cys-GlyIle-Cys-GlyME136736--10.88904831291.1252283
Arg-Leu-Lys-Asp-ME136737--11.887012530.317894
Asp-Val-Asp-His-ME136738--15.29266268484.1919713
Asp-Val-Pro-Ser-ME136739--9.880293086416.1906472
Ala-Leu-Thr-Ala-ME136740--14.40496243374.215796
Ala-Ala-Ala-Ser-ME136741--15.98220268318.1539388
Asp-Leu-Lys-Lys-ME136742--22.05270028251.155722
Ala-Thr-Ala-Gly-ME136743--17.74552517318.1539055
Ser-ArgSer-ArgME136744--16.75629691261.1440083
Asn-ArgAsn-ArgME136745--16.33998358288.1550243
Aspartyl-L-prolineAsp-ProME136746--15.21470309230.0904035
Ala-ProAla-ProME136747--11.30098817186.1005065
Asn-ProAsn-ProME136748--13.3456617229.1062475
L-Ala-L-Glu-ME136749--9.769325678218.0900799
Lys-AspLys-AspME136750--16.30585876261.1328696
Asp-ArgAsp-ArgME136751--16.33465547289.1385995
Glu-ThrGlu-ThrME136752--14.31234025248.1005786
Leu-ProLeu-ProME136753--12.94016219228.1473974
Lys-ValLys-ValME136754--22.02878097245.1738804
[SP (24:0)] N-(15Z-tetracosenoyl)-sphing-4-enineCer 18:1;O2/24:1ME136755-C001953.841233868647.6215783
[SP (24:0)] N-(tetracosanoyl)-sphing-4-enine-1-pho...SM 18:1;O2/24:0ME136756--4.224083675814.6918498
SM(d18:0/22:1(13Z))SM 18:0;O2/22:1(13Z)*ME136757-C005504.518171054786.6624987
SM(d18:1/26:0)SM 18:1;O2/26:0ME136758-C005504.295401725842.7230623
SM(d18:1/19:0)SM 18:1;O2/19:0ME136759--7.432215155744.6137263
[SP (26:0)] N-(17Z-hexacosenoyl)-sphing-4-enine-1-...SM 18:1;O2/26:1ME136760--4.218443883840.7085095
SM(d16:1/18:0)SM 16:1;O2/18:0ME136761--7.519337316702.5677971
PC(38:4)PC 38:4ME136762--4.085230516809.5926997
[PC (16:2)] 1-hexadecyl-sn-glycero-3-phosphocholin...LPC O-16:0ME136763-C139034.639565782481.3527661
PC(34:1)PC 34:1ME136764--4.114483113759.5775189
PS(36:4)PS 36:4ME136765--3.681826419783.5056691
PC(38:6)PC 38:6ME136766--3.948159184805.5624197
PE(18:3(6Z,9Z,12Z)/P-18:1(11Z))-ME136767-C003503.903939142723.5203925
LysoPC(18:0)LPC 18:0ME136768-C042304.513006849523.3638921
[PC (18:1)] 1-(11Z-octadecenyl)-sn-glycero-3-phosp...LPC 18:1ME136769--4.562729499507.3688529
PC(36:3)PC 36:3ME136770--4.272033332783.5774717
PE(20:4(5Z,8Z,11Z,14Z)/P-18:1(11Z))-ME136771-C003503.877016825749.5358291
PS(38:4)PS 38:4ME136772--3.668840713811.536705
[PE (18:1/20:4)] 1-(1Z-octadecenyl)-2-(5Z,8Z,11Z,1...PE O-18:2/20:4ME136773-C003503.88793256751.5526089
PE(18:1(11Z)/P-18:1(11Z))-ME136774-C003504.004749904727.552655
[FA (14:2)] 5,8-tetradecadienal5,8-TetradecadienalME136775--4.222118279208.1827183
O-ButanoylcarnitineCAR 4:0ME136776-C028628.794452058231.1472023
SlaframineSlaframineME136777-C0618512.69838467240.147421
EcgonineEcgonineME136778-C1085811.75169532185.1053411
Acetylpseudotropine-ME136779-C1245310.90594521183.1259607
N6-Methyl-L-lysineN(6)-MethyllysineME136780-C0272822.35680847160.1209196
O-AcetylcarnitineCAR 2:0ME136781-C0257110.91047893203.1158288
HercynineHercynineME136782-C0557512.11620473197.1164838
Ovothiol disulfide-ME136783--15.62134821228.0807031
NG,NG-Dimethyl-L-arginineDimethylarginineME136784-C0362621.51669674202.1431029
IndoleacrylicacidIndoleacrylic acidME136785--8.712156071187.0633218
TiglylcarnitineCAR 4:1;2MeME136786--7.754358092243.1469089
2-amino-3,7-dideoxy-D-threo-hept-6-ulosonate-ME136787--12.1130271191.07955
13'-hydroxy-α-tocopherol-ME136788--4.013110442446.3758914
D-myo-Inositol 1,2-cyclic phosphateInositol cyclic phosphateME136789-C0429915.94663713242.0193985
Ne,Ne dimethyllysineN(6),N(6)-Dimethyl-lysineME136790-C0554521.35824769174.1367732
3-Dehydrocarnitine3-DehydrocarnitineME136791-C0263612.56821521159.0895882
LotaustralinLotaustralinME136792-C0833412.59156316261.1212319
N-acetyl-demethylphophinothricin-ME136793--14.21266356208.0614625
BrunfelsamidineBrunfelsamidineME136794-C1013318.88790778109.06399
MethacholineMethacholineME136795-C0747113.17272482159.1259566
StachydrineStachydrineME136796-C1017210.61381618143.094633
StearoylcarnitineCAR 18:0ME136797--4.446146428427.3662102
HypaphorineLenticinME136798-C092138.712364796246.1368077
(S)-CarnitineCarnitineME136799-C1502511.72907706161.1051953
MethylenediureaMethylenediureaME136800-C0638115.57250356132.0646797
N5-Ethyl-L-glutamineN(5)-Ethyl-glutamineME136801-C0104713.35169822174.1001464
N-AcetyllactosamineN-AcetyllactosamineME136802-C0061113.55872519383.1427963
L-isoleucyl-L-prolineIle-ProME136803--10.01784378228.1474801
Epsilon-(gamma-Glutamyl)-lysineEpsilon-(gamma-Glutamyl)-lysineME136804--11.33413095275.1483031
TussilagineTussilagineME136805-C1041110.2212612199.1210586
[ST (3:0)] cholest-5Z,7Z,24-trien-3beta-ol7-Dehydro-desmosterolME136806-C051075.045785872382.3235457
N-Acetyl-D-mannosamineN-Acetyl-mannosamineME136807-C0064512.19185631221.0899306
alpha-D-Glucosamine 1-phosphateGlucosamine 1-phosphateME136808-C0615612.03779492259.0459063
3-Butynoate3-Butynoic acidME136809-C0614410.9086255484.02117758
Acetyl phosphateAcetylphosphateME136810-C0022716.01929545139.9876511
gamma-Glutamyl-Se-methylselenocysteinegamma-Glutamyl-Se-methylselenocysteineME136811-C0569515.97271815312.0220308
5-Hydroxy-L-tryptophan5-Hydroxy-tryptophanME136812-C0064310.73700424220.0849434
S-Ribosyl-L-homocysteineS-RibosylhomocysteineME136813-C0353914.7006907267.0779985
N2-Acetyl-L-aminoadipateN-Acetyl-2-aminoadipic acidME136814-C1298612.0678823203.0794951
[FA oxo,amino(6:0)] 3-oxo-5S-amino-hexanoic acid(S)-5-Amino-3-oxohexanoateME136815-C0365612.34147676145.0739161
4-Aminobutanal4-AminobutyraldehydeME136816-C0055510.3829226487.06837592
N-(L-Arginino)succinateArgininosuccinic acidME136817-C0340616.52466038290.1231768
Glutathione disulfideOxidized glutathioneME136818-C0012717.15160725306.075975
PhosphonoacetaldehydePhosphonoacetaldehydeME136819-C0316714.60887989123.9923581
S-(2-Hydroxyethyl)glutathioneS-(2-Hydroxyethyl)glutathioneME136820-C1487512.765869351.1099132
dCDP-choline-ME136821--14.06387373472.1125258
Lys-Thr-ThrLys-Thr-ThrME136822--15.15917153348.2007068
Lys-Thr-SerLys-Thr-SerME136823--15.24528965334.1856478
Thr-Trp-CysThr-Trp-CysME136824--15.2291361408.1469997
Asn-Lys-Gly-Gly-ME136825--15.47388997374.1916358
Cys-Phe-Gly-Gly-ME136826--10.6003982382.1311077
Lys-SerLys-SerME136827--16.60128977233.1372675
Lys-ProLys-ProME136828--15.21643588243.158365
GlycylprolineGly-ProME136829--12.22843107172.0847939
Thr-AspThr-AspME136830--15.45718473234.0849293
Thr-AlaThr-AlaME136831--12.83624432190.0953415
L-gamma-glutamyl-L-isoleucinegamma-GlutamylisoleucineME136832--10.64002401260.1376212
[ST] (5Z,7E)-9,10-seco-5,7,10(19)-cholestatriene3-Deoxyvitamin D3ME136833--3.694300188368.3443366
Cer(d18:0/22:1(13Z))Cer 18:0;O2/22:1(13Z)ME136834--3.847132823621.605305
SM(d18:1/23:0)SM 18:1;O2/23:0ME136835-C005504.222511337800.67695
SM(d16:1/18:1)SM 16:1;O2/18:1ME136836--4.23543582700.5522849
SM(d18:2/24:1)SM 18:2;O2/24:1ME136837--4.220577998810.6622987
[SP (16:0)] N-(hexadecanoyl)-sphing-4-enineCer 18:1;O2/16:0ME136838-C001953.848712235537.512349
Cer(d18:1/22:1(13Z))Cer 18:1;O2/22:1(13Z)ME136839--3.83960953619.5906542
SM(d17:1/24:1(15Z))SM 17:1;O2/24:1(15Z)ME136840--4.17159111798.6621944
SM(d18:1/24:1(15Z))SM 18:1;O2/24:1(15Z)ME136841-C005504.218896989812.6776632
SM(d16:1/17:0)SM 16:1;O2/17:0ME136842--4.248633214688.5524457
Lactosylceramide(d18-ME136843-C012907.623956081861.6185407
SM(d18:1/14:0)SM 18:1;O2/14:0ME136844--4.270615289674.536603
SM(d18:2/22:1)SM 18:2;O2/22:1ME136845--7.358338636782.6304933
SM(d18:1/18:0)SM 18:1;O2/18:0ME136846-C005507.48639778730.5988654
SM(d18:1/20:0)SM 18:1;O2/20:0ME136847-C005507.421689946758.6299652
PS(36:0)PS 36:0ME136848--3.604804205791.5670036
LysoPC(O-18:0)LPC O-18:0ME136849-C043174.564111889509.3843011
PE(16:0/P-18:1(11Z))-ME136850-C003503.977382234701.5367599
PS(36:3)PS 36:3ME136851--3.668844843785.5215127
PS(34:0)PS 34:0ME136852--3.65851044763.5361242
PC(40:5)PC 40:5ME136853--3.918248305835.6081977
LysoPE(0:0/20:0)LPE 0:0/20:0ME136854--4.569158305509.3481339
PE(34:3)PE 34:3ME136855--3.639404471713.4991145
PC(40:6)PC 40:6ME136856--3.908454562833.5939256
PC(16:0/9:0(CHO))-ME136857--4.225025364649.4322808
PE(38:6)PE 38:6ME136858--3.881250376763.5148133
PS(38:5)PS 38:5ME136859--3.665191982809.5217109
PS(42:10)PS 42:10ME136860--3.645623113855.5055202
PE(P-20:0/0:0)PE P-20:0/0:0ME136861--4.533162777493.3530144
PS(36:2)PS 36:2ME136862--3.682463255787.5372232
PS(34:1)PS 34:1ME136863--3.693296636761.5210047
PE(18:2(9Z,12Z)/P-18:1(11Z))-ME136864-C003503.947458019725.5354404
PS(40:5)PS 40:5ME136865--3.659278287837.5508652
PS(40:6)PS 40:6ME136866--3.655454776835.536444
PE(32:0)PE 32:0ME136867--3.648954877691.515016
PE(32:1)PE 32:1ME136868--3.652217329689.4992959
PE(22:4(7Z,10Z,13Z,16Z)/P-18:1(11Z))-ME136869-C003503.856944381777.5679919
PS(36:1)PS 36:1ME136870--3.686612101789.5519924
[PC (16:0)] 1-hexadecanoyl-sn-glycero-3-phosphocho...LPC 16:0ME136871-C042304.612176177495.3326549
PS(38:6)PS 38:6ME136872--3.670041447807.5061003
LysoPC(18:1(9Z))LPC 18:1(9Z)ME136873-C042304.536263714521.34813
[PC (20:0)] 1-eicosanoyl-sn-glycero-3-phosphocholi...-ME136874-C042304.421319739551.3952065
PS(40:4)PS 40:4ME136875--3.664764092839.566586
PE(20:2(11Z,14Z)/P-18:1(11Z))-ME136876-C003503.887419967753.565945
1-O-(1Z-Tetradecenyl)-2-(9Z-octadecenoyl)-sn-glyce...-ME136877-C138643.704631677550.4956587
[GL methyl(15:0/8:0)] 1-(14-methyl-pentadecanoyl)-...-ME136878--3.605365349602.5266581
[FA oxo(19:0)] 10-oxo-nonadecanoic acid-ME136879--3.802385793312.2661543
2-Oxooctadecanoic acid2-Oxo-octadecanoic acidME136880-C008693.805764056298.250822
[FA (12:1)] 5E-dodecenoic acid-ME136881--4.278825771198.1620696
O-PropanoylcarnitineCAR 3:0ME136882-C030179.712837146217.1314394
Myxochelin A-ME136883-C122204.445898213404.1583218
MaltolMaltolME136884-C1191816.59644288126.0316922
alpha-Iononealpha-IononeME136885-C122864.486705783192.151481
α-(2,6-anhydro-3-deoxy-D-arabino-heptulopyranosid...-ME136886--15.95552704272.0297133
CantleyineCantleyineME136887-C099334.954581875207.089621
N-DecanoylglycineN-DecanoylglycineME136888--4.629028005229.1678831
nonulose 9-phosphateNonulose 9-phosphateME136889--14.28697772350.061595
2-methylhistamine-ME136890-C1792827.80605745125.0953821
Methyl 2-diazoacetamidohexonateMethyl 2-diazoacetamidohexonateME136891-C0122314.01044271213.1111415
DapDiallyl phthalateME136892--15.35881976109.0640033
(24R,24'R)-Fucosterol epoxide(3beta,24R,24'R)-Fucosterol epoxideME136893-C039103.897225884428.3656453
Muramic acidMuramic acidME136894-C0647014.21227819251.1006019
Tenuazonic acidTenuazonic acidME136895-C085114.445786976197.1051917
6-Acetyl-D-glucose6-AcetylglucoseME136896-C0265514.05948935222.0740976
OtonecineOtonecineME136897-C1035611.01594518185.1053389
Homostachydrine(S)-HomostachydrineME136898-C082839.947245995157.1102221
PicolinamidePicolinamideME136899-C0195013.81074064122.0479514
Kievitone hydrateKievitone hydrateME136900-C0254910.1135209374.1370071
HeptadecanoylcarnitineCAR 17:0ME136901--4.507361133413.350364
2-acetamidoglucal-ME136902--7.734437022203.0794636
N5-acetyl-N5-hydroxy-L-ornithine2,6-Diaminopimelic acidME136903--11.83440434190.0952629
HydroxybutyrylcarnitineCAR 4:0;OHME136904--11.26233682247.1419789
N-hydroxyisoleucineN-hydroxyisoleucineME136905--11.99526079147.0895008
FagomineFagomineME136906-C1014416.96627284147.0894808
allopurinolAllopurinolME136907-D0022415.12578165136.0384373
N-AcetylcadaverineN-AcetylcadaverineME136908--10.98918619144.1263411
CapryloylglycineCapryloylglycineME136909--11.53789472201.1367081
N-acetyl -D- glucosaminitolN-Acetyl-glucosaminitolME136910--13.16831782223.1055204
N-Acetyl-D-fucosamineN-Acetyl-D-fucosamineME136911-C1548011.39476942205.0948871
VinylacetylglycineVinylacetylglycineME136912--7.766255288143.0582626
2-amino-2-deoxyglucitol-6-phosphate-ME136913--11.97017254261.0616269
OleoylcarnitineCAR 18:1ME136914--4.471793869425.3504338
Biotin amideBiotin amideME136915-C0189310.41160315243.1041713
3-Amino-2-piperidone3-Amino-2-piperidoneME136916--11.29419482114.079324
LinoelaidylcarnitineCAR 18:2(9E,12E)ME136917--7.639361223423.3346502


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
UMPUMPME136918-C0010514.83306872324.0358929
GMPGMPME136919-C0014416.41126436363.0582012
sn-Glycerol 3-phosphatesn-Glycero-3-phosphateME136920-C0009314.67456012172.0136361
TaurineTaurineME136921-C0024514.90910381125.0146547
ATPATPME136922-C0000216.18885302506.9958339
D-Fructose 6-phosphateFructose 6-phosphateME136923-C0008515.74008417260.0296422
D-Glucose 6-phosphateGlucose 6-phosphateME136924-C0009216.58859683260.0296695
myo-InositolMyo-inositolME136925-C0013716.95614062180.0634328
D-Ribose 5-phosphateRibose 5-phosphateME136926-C0011715.43993752230.0189895
2-Oxoglutarate2-Oxoglutaric acidME136927-C0002615.38828527146.0215712
MannitolMannitolME136928-C0039213.88241292182.0790407
UDP-glucoseUDP-glucoseME136929-C0002916.13770055566.0552158
(S)-MalateMalic acidME136930-C0014915.85539972134.0215671
D-GlucoseGlucoseME136931-C0022114.53641962180.0633893
CitrateCitric acidME136932-C0015817.9266279192.0270772
GDP-mannoseGDP-mannoseME136933-C0009617.99333301605.077519
PhosphoenolpyruvatePhosphoenolpyruvic acidME136934-C0007417.41826604167.9823523
Glycerone phosphateDihydroxyacetone phosphateME136935-C0011115.24493942169.9980116
L-ProlineProlineME136936-C0014812.65639222115.0633292
L-LysineLysineME136937-C0004722.86762762146.1055418
L-AspartateAspartic acidME136938-C0004914.75513819133.0375183
PantothenatePantothenic acidME136939-C008645.518498077219.1105891
L-CysteateCysteic acidME136940-C0050615.42795597169.0046134
OrotidineOrotidineME136941--11.98648139288.0593794
(S)-Dihydroorotate4,5-Dihydroorotic acidME136942-C0033710.83474084158.0326874
OrotateOrotic acidME136943-C002959.912273014156.017097
InosineInosineME136944-C0029410.77356384268.0809979
4-Amino-4-deoxychorismate4-Amino-4-deoxychorismic acidME136945-C1135512.94529869225.063732
Deamino-NAD+-ME136946-C0085714.04207058664.0940961
CholateCholic acidME136947-C006954.711651076408.2875735
Traumatic acidTraumatic acidME136948-C163084.65057861228.1362803
[FA (18:1)] 9Z-octadecenoic acidOleic acidME136949-C007123.782011132282.2558952
Hexadecanoic acidPalmitic acidME136950-C002493.806807047256.240228
Tetradecanoic acidMyristic acidME136951-C064243.85008748228.2089506
2-C-Methyl-D-erythritol 2,4-cyclodiphosphate-ME136952-C1145315.41180414277.9956443
CDP-ethanolamineCDP-EthanolamineME136953-C0057016.06833818446.0605453
D-Fructose 1,6-bisphosphateFructose 1,6-bisphosphateME136954-C0035417.87173301339.9960981
D-Sedoheptulose 7-phosphateD-Sedoheptulose 7-phosphateME136955-C0538215.96779348290.0403448
(S)-LactateLactic acidME136956-C001869.20372503290.03166373
GlycerolGlycerolME136957-C0011610.3060247692.04732747
SuccinateSuccinic acidME136958-C0004214.65821806118.0266241
3-beta-D-Galactosyl-sn-glycerolGalactosylglycerolME136959-C0540113.61019618254.1001768
D-RiboseRiboseME136960-C0012111.59348225150.0529176
UDP-N-acetyl-D-glucosamineUDP-N-acetylglucosamineME136961-C0004314.88035968607.0817085
L-Galactono-1,4-lactoneL-Galactono-1,4-lactoneME136962-C0111511.67883877178.0477347
GDP-L-fucoseGDP-L-fucoseME136963-C0032517.37509998589.0825894
2-Dehydro-3-deoxy-D-gluconateGluconolactoneME136964-C0020412.27698097178.0477312
4-Methyl-2-oxopentanoateKetoleucineME136965-C002334.689185116130.0630333
3-Phosphonopyruvate-ME136966-C0279815.92140244167.9823474
4-HydroxyphenylacetylglycineHydroxyphenylacetylglycineME136967-C055967.690961116209.0688197
QuinateQuinic acidME136968-C0029612.31544331192.0634582
L-CystineCystineME136969-C0049116.10169563240.0239208
2(alpha-D-Mannosyl)-D-glycerate2-(alpha-D-mannosyl)-D-glyceric acidME136970-C1154414.65356876268.0795314
3-Sulfolactate3-Sulfolactic acidME136971-C1606917.4980099169.9885802
Glu-Met-ThrGlu-Met-ThrME136972--11.81288498379.1414239
Asp-GlyAsp-GlyME136973--16.37482563190.0590289
Glu-GluGlu-GluME136974-C0142513.14718224276.0961225
Glu-AspGlu-AspME136975--14.04212213262.0801924
L-beta-aspartyl-L-alaninebeta-AspartylalanineME136976--15.74145096204.0746205
L-beta-aspartyl-L-asparticacid-ME136977--17.21717894248.0644348
L-beta-aspartyl-L-glutamicacid-ME136978--17.11596585262.0802593
PIPES-ME136979--14.21849318302.060616
PsychosinePsychosineME136980-C017474.56092672461.335641
[SP (18:0)] N-(octadecanoyl)-sphing-4-enineCer 18:1;O2/18:0ME136981-C001954.004825981565.5437416
[PG (18:0)] 1-octadecanoyl-sn-glycero-3-phospho-(1...-ME136982--3.790382078512.3114784
PG(34:1)PG 34:1ME136983--3.582638271748.525626
PA(38:5)PA 38:5ME136984--3.614018018722.4880144
PE(36:2)PE 36:2ME136985--3.944541904743.5472517
PG(34:0)PG 34:0ME136986--4.051977455750.5419252
PE(22:4(7Z,10Z,13Z,16Z)/P-18:0)-ME136987-C003503.958248447779.5837497
PE(36:4)PE 36:4ME136988--4.141802253739.5150928
[FA dioxo(12:0)] 9,12-dioxo-dodecanoic acid9,12-Dioxo-dodecanoic acidME136989--7.691393784228.136465
[FA (14:0/2:0)] Tetradecanedioic acidTetradecanedioic acidME136990-C110024.687258705258.1830202
[FA trihydroxy(4:0)] 2,3,4-trihydroxy-butanoic aci...Threonic acidME136991-C0162012.07937793136.0372527
D-XylonateXylonic acidME136992-C0050212.90327709166.0477715
HydroxymethylphosphonateHydroxymethylphosphonic acidME136993-C0645514.17387351111.9925264
(2R,4S)-2,4-Diaminopentanoate-ME136994-C0394315.76245392132.0899028
PhytuberinPhytuberinME136995-C097093.923118794294.1832184
1-thio-β-D-glucose-ME136996--8.164313713196.0405242
methylphosphateMethanolphosphateME136997--13.71318294111.992553
2-Benzothiazolesulfonamide-ME136998-C1418110.10747097213.9867851
3-sulfopropanoate-ME136999--15.9937908153.9936668
ancymidolAncymidolME137000--4.573759061256.1212398
2-6-10-Trimethylundecanoicacid-ME137001--7.546764389228.2089464
2,7-Anhydro-alpha-N-acetylneuraminic acidN-Acetyl-2,7-anhydro-alpha-neuraminic acidME137002-C0452112.8363209291.0954835
N-Acetyl-D-glucosaminateN-acetyl-glucosaminic acidME137003-C0113312.70072713237.0849633
Inosine2'-phosphate-ME137004--15.12203156348.0470879
N-Glycolyl-D-glucosamineN-Glycolyl-D-glucosamineME137005-C0314612.09432297237.0849773
N-PhenylacetamideN-AcetylarylamineME137006-C075656.223816928135.0684313
(2E)-2-ethylidene-4-hydroxy-5-methyl-3(2H)-furanon...-ME137007--16.95159486140.0473525
D-4'-Phosphopantothenate(R)-4'-Phosphopantothenic acidME137008-C0349214.86840557299.0769973
[PR] Abietic acidAbietic acidME137009-C060873.78813386302.2246844
(-)-Jasmonic acidJasmonic acidME137010-C084914.246770526210.1255187
LinoleateLinoleic acidME137011-C015953.794210149280.2402685
[FA (20:4)] 5Z,8Z,11Z,14Z-eicosatetraenoic acidArachidonic acidME137012-C002193.777366454304.2403769
[FA (18:3)] 9Z,12Z,15Z-octadecatrienoic acidalpha-Linolenic acidME137013-C064273.802040692278.2245823
[FA hydroxy(20:3)] 5,6-dihydroxy-8Z,11Z,14Z-eicosa...5,6-DiHETrEME137014-C147724.46855284338.2458611
[FA (22:5)] 7Z,10Z,13Z,16Z,19Z-docosapentaenoic ac...DPAME137015-C165133.753318776330.2561673
Icosatrienoic acidETrE(11Z,14Z,17Z)ME137016-C165223.774203553306.2560784
(9Z)-Hexadecenoic acidPalmitoleic acidME137017-C083623.816684566254.2246331
Octadecanoic acidStearic acidME137018-C015303.769564023284.27157
D-GlycerateGlyceric acidME137019-C0025811.53086883106.026609
3-OxopropanoateMalonic semialdehydeME137020-C0022212.800474288.01598349
2-Acetolactate2-AcetolactateME137021-C0090013.11155693132.0422998
L-DehydroascorbateDehydroascorbic acidME137022-C0542217.7435892174.0164355
D-GalactosamineGalactosamineME137023-C0226211.17927079179.0793396
meso-Tartaric acidMeso-tartaric acidME137024-C0055217.03843988150.0165803
3-Ethylmalate-ME137025-C0198912.79899296162.0529148
D-Mannitol 1-phosphateMannitol 1-phosphateME137026-C0064414.9538384262.045287
D-Mannose 6-phosphateMannose 6-phosphateME137027-C0027514.9482888260.0296173
L-ArabinoseLyxoseME137028-C0025914.43193014150.0527644
D-Tagaturonate-ME137029-C0055814.30650932194.0426618
2-Aminomuconate semialdehyde-ME137030-C038247.737937173141.0426073
2,3,4,5-Tetrahydrodipicolinate-ME137031-C039727.698416061171.0531352
N-Succinyl-L-glutamateN2-SuccinylglutamateME137032-C0593113.90369235247.0689983
3-Amino-3-(4-hydroxyphenyl)propanoatebeta-TyrosineME137033-C043687.687389576181.0739193
(2S)-2-Isopropyl-3-oxosuccinate2-Isopropyl-3-oxosuccinateME137034-C042367.683368942174.0526224
PhenylpropanoateHydrocinnamic acidME137035-C056294.682728941150.0680696
O-Succinyl-L-homoserineo-SuccinylhomoserineME137036-C0111813.09009639219.0742715
5-OxoprolinePyroglutamic acidME137037-C018799.994225207129.0426178
(R)-3-Hydroxy-3-methyl-2-oxopentanoate-ME137038-C1446312.97473961146.0579071
N-Acetyl-D-glucosamine 6-phosphateN-Acetyl-glucosamine 6-phosphateME137039-C0035714.49067729301.0563104
2-Phenylacetamide2-PhenylacetamideME137040-C025057.241175061135.0684403
2-Hydroxy-2,4-pentadienoate2-Hydroxypenta-2,4-dienoic acidME137041-C0059614.67267676114.0317211
(S)-Methylmalonate semialdehyde(S)-Methylmalonic acid semialdehydeME137042-C0600214.48775316102.031662
Anthranilate2-Aminobenzoic acidME137043-C001086.040604339137.0476698
dCDP-ethanolamine-ME137044--14.99922951430.0656142
Ser-SerSer-SerME137045--13.00225455192.074515
Gln-TyrGln-TyrME137046--7.925970339309.1327774
cis-(homo)3aconitate-ME137047--13.34231159216.063449
CholesterolsulfateCholesterol sulfateME137048--3.62009253466.3117764
[SP (18:0)] N-(octadecanoyl)-sphinganineCer 18:0;O2/18:0ME137049--3.984689228567.5582842
[SP (20:0)] N-(eicosanoyl)-sphing-4-enineCer 18:1;O2/20:0ME137050-C001953.983625387593.5750078
Cer(d18:2/23:0)Cer 18:2;O2/23:0ME137051--3.944261542633.6048634
2-Hydroxy-1,3-dimethoxy-8,9-methylenedioxycoumesta...2-Hydroxy-1,3-dimethoxy-8,9-methylenedioxycoumestanME137052--7.667905289356.053121
[PS (18:1)] 1-(9Z-octadecenoyl)-sn-glycero-3-phosp...PS 18:1(9Z)/0:0ME137053--4.112402993523.2911841
[PG (18:1)] 1-(9E-octadecenoyl)-sn-glycero-3-phosp...-ME137054--3.800147668510.2959217
PG(40:6)PG 40:6ME137055--3.571279781822.5424407
PE(36:1)PE 36:1ME137056--4.033274367745.5613513
PG(40:5)PG 40:5ME137057--3.576866765824.5560701
PA(36:3)PA 36:3ME137058--3.631132699698.4884829
PA(32:1)PA 32:1ME137059--3.660738023646.4577253
[PI (18:0)] 1-octadecanoyl-sn-glycero-3-phospho-(1...-ME137060--7.667722168600.3274467
PG(36:2)PG 36:2ME137061--3.574704027774.5415095
PA(34:1)PA 34:1ME137062--3.654950402674.4883728
PA(36:4)PA 36:4ME137063--3.626304775696.4732021
PA(36:1)PA 36:1ME137064--3.642138291702.5192442
PG(38:5)PG 38:5ME137065--3.57727412796.5251245
[PG (16:0)] 1-hexadecanoyl-sn-glycero-3-phospho-(1...-ME137066--3.826232678484.2803954
PS(40:8)PS 40:8ME137067--3.659790199831.5059314
PG(36:1)PG 36:1ME137068--3.653773308776.5554063
PE(22:5(4Z,7Z,10Z,13Z,16Z)/P-18:1(11Z))-ME137069-C003503.862877719775.5505098
PI(36:3)PI 36:3ME137070--3.698570527860.5405746
PE(36:3)PE 36:3ME137071--3.941930377741.5320663
PA(34:2)PA 34:2ME137072--3.646516977672.4732959
PI(36:2)PI 36:2ME137073--3.706628199862.557345
PE(18:0/P-18:1(11Z))-ME137074-C003503.968473663729.567513
PA(38:6)PA 38:6ME137075--3.61552119720.4737794
PA(32:0)PA 32:0ME137076--3.677556406648.4732735
[PS (20:4)] 1-(5Z,8Z,11Z,14Z-eicosatetraenoyl)-sn-...LPS 20:4ME137077--4.091627425545.2755004
PI(36:1)PI 36:1ME137078--3.722195864864.5728853
PI(40:5)PI 40:5ME137079--3.683735972912.5726122
PA(O-18:0/20:5(5Z,8Z,11Z,14Z,17Z))PA O-18:0/20:5(5Z,8Z,11Z,14Z,17Z)ME137080--3.618674024708.5095487
PI(36:4)PI 36:4ME137081--3.692227797858.5261743
PI(38:5)PI 38:5ME137082--3.68342924884.5428355
PI(38:4)PI 38:4ME137083--3.689617729886.5579684
PS(34:2)PS 34:2ME137084--3.698093915759.5058638
PE(12:0/18:4(6Z,9Z,12Z,15Z))PE 12:0/18:4(6Z,9Z,12Z,15Z)ME137085--7.694703165655.4219407
[PS (18:0)] 1-octadecanoyl-sn-glycero-3-phosphoser...LPS 18:0ME137086--4.104113395525.3068259
[FA dimethyl(13:0)] 2,5-dimethyl-2E-tridecenoic ac...-ME137087--3.825263093240.208792
7E,9E,11-Dodecatrienyl acetate7E,9E,11-Dodecatrienyl acetateME137088--3.9335532222.1619545
(9Z)-Tetradecenoic acidMyristoleic acidME137089-C083223.880506021226.1930436
[FA (13:0)] tridecanoic acidTridecylic acidME137090-C137953.898403075214.1932531
omega-Cyclohexylundecanoic acidCyclohexaneundecanoic acidME137091-C121003.810310516268.2402413
Pentadecanoic acidPentadecylic acidME137092-C165373.831371006242.2246555
3-carboxy-4-methyl-5-propyl-2-furanpropanoic acid3-Carboxy-4-methyl-5-propyl-2-furanpropanoic acidME137093--4.569760124240.0998926
Dihydro-3-hydroxy-3-(1-hydroxyethyl)-4-methylfuran...-ME137094--4.737151856160.0735573
[FA oxo(16:0)] 3-oxo-hexadecanoic acid3-Ketopalmitic acidME137095--3.856102762270.2195229
[FA (17:0)] heptadecanoic acidMargaric acidME137096--3.787728568270.2558917
[FA methyl(16:0)] 14-methyl-hexadecanoic acid-ME137097--7.583546273270.255842
LPA(0:0/18:0)LPA 0:0/18:0ME137098-C004164.512094918438.274375
LPA(0:0/16:0)LPA 0:0/16:0ME137099-C004164.612527478410.2432328
N-Hydroxy-L-tyrosineN-Hydroxy-tyrosineME137100-C0300410.22612575197.0687311
AntirhineAntirhineME137101-C090333.939536973296.1889941
Furfural diethyl acetal-ME137102-C142804.491304951170.0940596
Diethyl 2-methyl-3-oxosuccinate4-Heptenal diethyl acetalME137103-C040674.735007879202.0842097
acyl phosphatidylglycerol (n-C12:0)-ME137104--3.822272312792.5502338
2-isocapryloyl-3R-hydroxymethyl-γ-butyrolactone-ME137105--4.208827643242.1517739
Glycerophosphoglycerolsn-Glycero-3-phosphoglycerolME137106-C0327412.38160555246.0506013
2,3,5-Trihydroxytoluene2,3,5-TrihydroxytolueneME137107-C0333812.77612467140.0473471
sn-glycerol-1-phosphate-ME137108-C0062314.31531145172.013579
Cyclic ADP-riboseCyclic ADP-riboseME137109-C1305013.80569461541.0606777
phosphinomethylisomalate-ME137110--12.44704105212.0086658
nonulose 9-phosphateNonulose 9-phosphateME137111--16.52407938350.06163
Monomethyl sulfateMethyl sulfateME137112-C027048.076090156111.9830315
melibionate-ME137113--14.96084296358.1109356
Furfural2-FurancarboxaldehydeME137114-C1427914.4660897996.02113159
N-AcetylanthranilateMethyl n-acetylanthranilateME137115-C063327.397439567179.0582006
D-myo-Inositol 1,2-cyclic phosphateInositol cyclic phosphateME137116-C0429916.69071812242.0194885
octulose 8-phosphateOctulose 8-phosphateME137117--16.21637593320.0509187
3-Methyleneoxindole3-MethyleneoxindoleME137118-C027967.702899084145.0527211
Gentisyl alcoholGentisyl alcoholME137119-C1079211.72787851140.0473543
(R)-2-Hydroxystearate2-Hydroxystearic acidME137120-C030423.846125458300.2665524
3-Succinoylpyridine3-SuccinoylpyridineME137121--5.874698742179.0581917
N-D-GlucosylarylamineN-D-GlucosylarylamineME137122-C031427.641858485255.1106383
P-DPD-ME137123--14.89131308212.0085907


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