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Analysis: ESI Positive mode

SelectMetabolite Name RefMet Name/Standardized Name* WorkBench
Metabolite_ID		 PubChem
Compound_ID		 Kegg Id Retention
time/index		 m/z ratio
11-Aminoundecanoic acid11-Aminoundecanoic acidME10770717083C193256.07202.1801
1,2,3-Trihydroxybenzene1,2,3-TrihydroxybenzeneME1077031057C011080.79127.0393
1,2,6-Hexanetriol_1-ME1077047823C203346.83135.1018
1,2,6-Hexanetriol_2-ME1077057823C203340.95135.1005
1,4-Dithiane1,4-DithianeME10770610452C018710.69121.0151
16-Feruloyloxypalmitate-ME10770844237331C1821713.81449.2878
1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-ph...PE 16:0_18:1ME10770959834030C1387716.54718.536
1H-Imidazole-4-methanol_1Imidazole-4-methanolME1077101745C0556214.2399.0559
1H-Imidazole-4-methanol_2Imidazole-4-methanolME1077111745C0556214.7399.0559
1-OctanalCaprylaldehydeME107712454C0154512.37129.1277
2,2-Dichloro-1,1-ethanediol_1-ME10771485275C148605.14130.9664
2,2-Dichloro-1,1-ethanediol_2-ME10771585275C148600.82130.9655
2,3-Bis-O-(geranylgeranyl)glycerol 1-phosphate2,3-bis-O-(Geranylgeranyl)glycerol 1-phosphateME10771614556935C0463816.38717.5253
2,3-DimethylmaleateDimethyl maleateME1077173032309C009220.76145.0497
2,4-Diamino-6-nitrotoluene-ME10771896177C163960.67168.0769
2,4-Diaminotoluene-ME1077197261C1440117.12123.0921
2,5-Dichloro-4-oxohex-2-enedioate_12,5-Dichloro-4-oxohex-2-enedioateME1077205282172C128350.68226.9516
2,5-Dichloro-4-oxohex-2-enedioate_22,5-Dichloro-4-oxohex-2-enedioateME1077215282172C1283517.5226.9516
2,5-Dioxopentanoate-ME10772221872870C004331.58131.0341
2,5-Furandicarboxylate-ME10772376720C204501.06157.0126
2-(6'-Methylthio)hexylmalic acid-ME10771344237240C172261.13265.1119
2-Aceto-2-hydroxybutanoate_12-AcetolactateME10772421C006597.65147.0662
2-Aceto-2-hydroxybutanoate_22-AcetolactateME10772521C006590.64147.0662
2-Aminophenol2-AminophenolME1077265801C019873.22110.0605
2-Ethylhexyl phthalateMonoethylhexyl phthalic acidME107727-C0334314.73279.1593
2-Hydroxy-6-oxo-6-phenylhexa-2,4-dienoate2,6-Dioxo-6-phenylhexa-3-enoateME10772854675833C012737.16219.0652
2-Hydroxycyclohexan-1-one2-Hydroxycyclohexan-1-oneME10772910785C011476.7115.0757
2-Hydroxyfelbamate2-HydroxyfelbamateME10773010400039C165821.14255.0974
2-Methoxyestrone 3-sulfate2-Methoxyestrone 3-sulfateME107731441485C083587.17381.1347
2-Methylpropanamine-ME1077326558C027870.0374.0972
2-Naphthylamine2-AminonaphthaleneME1077337057C022277.95144.0799
2-Oxosuberate-ME107734146903C165897.65189.0741
2-Thiophenesulfonamide-ME10773572881C147640.14163.9838
3-(2-Hydroxyphenyl)propanoate3-(2-Hydroxyphenyl)propanoic acidME1077366930705C0119813.4167.0703
3-[(3aS,4S,7aS)-7a-Methyl-1,5-dioxo-octahydro-1H-i...-ME10773815944652C2019913.15239.1275
3,4-Methylenedioxymethamphetamine3,4-MethylenedioxymethamphetamineME1077371615C075776.64194.1177
3-Butylidene-7-hydroxyphthalidePhthalideME1077395281559C0992114.73205.0859
3-Chloro-D-alanine3-Chloro-D-alanineME107740439771C026340.6124.0153
3-Hydroxyhexobarbital-ME107741439898C030686.87253.1183
3-HYDROXYKYNURENINE_1HydroxykynurenineME10774289C032273.24225.0871
3-HYDROXYKYNURENINE_2HydroxykynurenineME10774389C032273.24223.0716
3-Methyladenine3-MethyladenineME1077441673C009131.14150.0774
3-PhosphonooxypyruvatePhosphohydroxypyruvic acidME1077455460375C032320.15184.9857
4,8-DihydroxyquinolineQuinoline-4,8-diolME107747440737C056377.35162.055
4-Aminobiphenyl4-AminobiphenylME1077487102C109980.69170.0966
4-AMINOBUTANOATEgamma-Aminobutyric acidME107749119C003340.79104.0711
4-(beta-Acetylaminoethyl)imidazoleN-AcetylhistamineME10774669602C051351.15154.0976
4-Fluorocyclohexadiene-cis,cis-1,2-diol-ME10775011829464C164836.26131.0493
4-Guanidinobutanal4-GuanidinobutanalME107751559C026470.77130.0977
4-GUANIDINOBUTANOATE4-Guanidinobutanoic acidME107752500C010351.67146.0926
4-Hydroxy-2-butynal4-Hydroxybut-2-ynalME107753439778C026480.7985.0291
4-IMIDAZOLEACETIC ACIDImidazoleacetic acidME10775496215C028350.98127.0504
4-Phenethylphenol-ME10775580630C143407.89199.1099
4-Vinylcyclohexene-ME1077567499C193108.45109.1018
5,6-DihydrothymineDihydrothymineME10775793556C009060.87129.0663
(+/-)-5-[(tert-Butylamino)-2'-hydroxypropoxy]-1,2,...-ME107698-C0487514.2294.2063
8-DeoxylactucinDeoxylactucinME107758442196C0939211.06261.1097
9,10-Phenanthroquinone9,10-PhenanthroquinoneME1077596763C032430.7209.0613
9,12,13-TriHOME9,12,13-TriHOMEME1077609858729C1483311.09331.248
(9Z)-Octadecenoic acidOleic acidME107699445639C0071214.47283.2631
AcadesineAICARME10776117513C046633.17259.1035
Acetyl phosphateAcetylphosphateME107762186C002270.15140.996
AdenineAdenineME107763190C001471.15136.062
alpha-SinensalSinensalME1077645281534C0972914.33219.1742
Aminoacetone_1AminoacetoneME107765215C0188817.0774.0608
Aminoacetone_2AminoacetoneME107766215C0188812.4774.0608
AmoxicillinAmoxicillinME10776733613C068270.79366.109
AMPAMPME1077686083C000201.15348.0706
AnthocyaninAnthocyaninME107769145858C155490.55208.0871
Arg-OEtEthyl arginateME107770439495C014041.02203.1503
AuricularineAuricularineME107771441990C0904315.99495.3478
BakankosideBakankosideME107772442506C099147.15358.1498
Bakkenolide ABakkenolide AME107773442173C0935014.21235.1694
Bensulfuron-methyl-ME10777454960C1093713.92411.0939
Benzyl (2R,3S)-2-methyl-3-hydroxybutanoate-ME107775440386C045617.65209.119
BETA-ALANINEbeta-AlanineME107776239C000990.7190.0557
BetamethasoneBetamethasoneME1077779782C068487.69393.2094
Bis(chloromethyl) ether_1-ME10777810967C191584.61114.9717
Bis(chloromethyl) ether_2-ME10777910967C191584.92114.9717
Bisphenol BBisphenol BME10778066166C1422513.92243.1358
BorreverineBorreverineME107781442020C0908217.2481.3328
BotrydialBotrydialME107782185781C0962212.19311.1849
BrunfelsamidineBrunfelsamidineME1077835281683C1013317.49110.0717
Buddledin A_1Buddledin AME1077845281514C0962314.4277.18
Buddledin A_2Buddledin AME1077855281514C0962312.13277.1798
Bufadienolide-ME107786-C1692110.09355.2635
Butoctamide hydrogen succinateListomin SME1077872486C129468.09316.2122
CadaverineCadaverineME107788273C016720.62103.1236
Calcium L-aspartate-ME10778930465C130587.05171.9929
Calycanthidine-ME107790442031C0909713.94361.2351
Cholesterol sulfateCholesterol sulfateME10779165076C1804316.75467.3166
CITRATECitric acidME107792311C001581.95215.0162
Convallasaponin A-ME107793441883C0889313.63581.3661
CreatineCreatineME107794586C003007.65132.0778
CREATINECreatineME107795586C003000.91132.0769
CREATININECreatinineME107796588C007910.93114.0667
CyclohexylsulfamateCyclamic acidME1077977533C028247.89180.0702
Debrisoquin_1DebrisoquineME1077982966C136500.69176.1189
Debrisoquin_2DebrisoquineME1077992966C136500.69176.1166
Deethylatrazine6-Chloro-N-(1-methylethyl)-1,3,5-triazine-2,4-diamineME10780022563C065597.65188.0706
Diallyl disulfide-ME10780116590C083699.02147.031
Dichloromethane_1DichloromethaneME1078026344C022715.0884.9604
Dichloromethane_2DichloromethaneME1078036344C022711.0384.9604
DIMBOA2,4-Dihydroxy-7-methoxy-2H-1,4-benzoxazin-3(4H)-oneME1078042358C047200.82212.0534
Dipropyl disulfideDipropyl disulfideME10780512377C083731.21151.0619
DodecanamideDodecanamideME10780614256C1383112.52200.2008
Dodemorph-ME10780761899C1878616.11282.2791
dUTPdUTPME10780865070C004607.28468.9785
epsilon-CaprolactamEpsilon-caprolactamME1078097768C065937.07114.0918
ETHANOLAMINE PHOSPHATEPhosphoethanolamineME1078101015C003460.72142.026
Ethephon-ME10781127982C1839917.13144.9824
EthiofencarbEthiofencarbME10781234766C186493.24226.0902
Ethylenethiourea_1-ME1078132723650C1439810.15103.0321
Ethylenethiourea_2-ME1078142723650C1439810.79103.0321
Fluoroacetate_1Fluoroacetic acidME1078155236C061080.7279.0186
Fluoroacetate_2Fluoroacetic acidME1078165236C061083.9279.0186
Fluoroacetate_3Fluoroacetic acidME1078175236C061085.779.0186
Fomepizole_1FomepizoleME1078183406C0783717.1283.0611
Fomepizole_2FomepizoleME1078193406C0783716.5183.0611
Fosetyl_1-ME1078206328134C184018.16111.0207
Fosetyl_2-ME1078216328134C1840117.5111.0207
gamma-Coniceinegamma-ConiceineME107822442632C101386.71126.128
GlycerolGlycerolME107824753C001160.7893.0553
GLYCEROLGlycerolME107823753C001160.78115.0371
GLYCINEGlycineME107825750C000370.7276.0401
GuanosineGuanosineME1078266802C003876.26284.0991
GyromitrinGyromitrinME1078279548611C0830517.51101.0717
HarmalineHarmalineME1078285280951C065368.05215.118
HexahomomethionineHexahomomethionineME10782946878444C172337.05234.1526
HISTAMINEHistamineME107830774C003880.62112.0874
HomoarginineHomoarginineME1078319085C019240.79189.135
Hyoscyamine methylbromide-ME10783217882C131097.08384.1146
HypoxanthineHypoxanthineME107833790C002626.12137.046
IndoleIndoleME107834798C004631.07118.0654
Indoleamine-ME107835230280C018197.55133.0764
InosineInosineME1078366021C002946.13269.0878
IsoprothiolaneIsoprothiolaneME10783739681C111116.13291.0696
Jamaicamide B-ME10783849787032C182137.21489.25
L-ARGININEArginineME1078396322C000620.69175.1194
L-Arginine phosphateArginine phosphateME10784092150C059450.69255.0851
L-ASPARAGINEAsparagineME1078416267C001520.7133.0606
L-ASPARTATEAspartic acidME1078425960C000490.7134.045
L-CARNITINECarnitineME107843288-0.96162.1126
L-CysteateCysteic acidME1078447140381C005061.14170.0125
LEUCINELeucineME1078456106C001232.53132.1022
LeucocyanidinLeucocyanidinME10784671629C059064.05307.0831
LevamisoleLevamisoleME10784726879C070709.02205.0798
L-GLUTAMINEGlutamineME1078485961C000640.73147.0766
L-HISTIDINEHistidineME1078496274C001350.68156.077
LicheninLicheninME107850439241C004780.8163.0592
L-KynurenineKynurenineME107851161166C003286.52209.0923
L-LYSINELysineME1078525962C000470.63147.113
L-MethionineMethionineME1078536137C000731.19150.0584
L-Methionine S-oxideMethionine sulfoxideME107854158980C029890.78166.0534
LoperamideLoperamideME1078553955C070807.88477.2327
LovastatinLovastatinME10785653232C0707413.87405.2609
L-PalmitoylcarnitineCAR 16:0ME10785711953816C0299016.78400.342
L-PhenylalaninePhenylalanineME1078586140C000796.26166.0863
L-PipecolatePipecolic acidME107859439227C004081.11130.0865
L-PROLINEProlineME107860145742C001480.85116.071
L-THREONINEThreonineME1078616288C001880.73120.0658
L-TryptophanTryptophanME1078626305C000787.65205.0974
L-TYROSINETyrosineME1078636057C000823.42182.0814
L-Tyrosine methyl esterMethyl tyrosinateME10786470652C034047.16196.097
L-Valine_1ValineME1078656287C001831.07118.0866
L-Valine_2ValineME1078666287C001830.03118.0867
MagnoshininMagnoshininME107867135783C1065812.78415.2119
MANNOSEMannoseME10786818950C001590.74203.0528
(-)-Menthyl acetateMenthyl acetateME10769727867C0987012.59199.1695
MethamphetamineMethamphetamineME10786910836C071647.35150.1279
Methyl methanesulfonateMethyl methanesulfonateME1078704156C191810.58111.01
Metominostrobin-ME1078715483872C1855910.09285.1226
Monodehydroascorbate-ME107872-C010411.14176.0299
N6-(delta2-Isopentenyl)-adenineN6-IsopentenyladenineME10787592180C040834.8204.1243
N-ACETYL-DL-GLUTAMIC ACIDN-Acetylglutamic acidME107876185-2.22190.0711
N-Acetyl-L-histidineN-AcetylhistidineME10787775619C029970.78198.0891
N-Acetyl-L-leucineN-AcetylleucineME10787875619C027108.51174.1127
N-Acetyl-L-phenylalanineN-AcetylphenylalanineME10787974839C0351912.78208.0988
N-AcetylornithineN-AcetylornithineME107880439232C004370.98175.1079
N-(Acetyloxy)benzenamineN-(Acetyloxy)benzenamineME107873153367C027093.24152.0707
N-ACETYLPUTRESCINEN-AcetylputrescineME107881122356C027141.11131.1181
N-Amidino-L-glutamatealpha-Guanidinoglutaric acidME107882135313C031407.65190.0836
NEPSILON,NEPSILON,NEPSILON-TRIMETHYLLYSINEN-6-TrimethyllysineME107883440120C037930.71189.1598
N-EthylglycocyamineN-EthylglycocyamineME107884439826C028527.65208.1161
N-Formyl-4-amino-5-aminomethyl-2-methylpyrimidine-ME107885597195C198726.31167.0928
NicotinamideNiacinamideME107886936C001531.12123.0555
NicotinateNicotinic acidME107887938C002531.15124.0396
N-METHYL-D-ASPARTIC ACIDN-Methyl-D-aspartic acidME10788822880C122690.76148.0606
N-Methylethanolamine phosphate_1N-Methylethanolamine phosphateME10788925201132C012100.78156.0423
N-Methylethanolamine phosphate_2N-Methylethanolamine phosphateME10789025201132C012103.41156.0423
N,N'-Diacetylhydrazine-ME10787472884C166220.84117.0664
OctylamineOctylamineME1078918143C017407.82130.1593
OrthophosphatePhosphoric acidME107892-C000090.7198.9849
OxethazaineOxethazaineME1078934621C1255216.75468.3197
Paspalinine-ME1078949867531C2055416.39434.2304
PhendimetrazinePhendimetrazineME10789512460C079047.36192.1383
PhenmetrazinePhenmetrazineME1078964762C074327.05178.1228
PhenylacetaldehydePhenylacetaldehydeME107897998C006010.72121.0652
Phenylethyl alcohol2-PhenylethanolME1078986054C058536.48123.0808
PhenylhydrazinePhenylhydrazineME1078997516C0230417.11109.0766
PHOSPHOCHOLINECholine phosphateME107900135437-0.72184.0734
PhytuberinPhytuberinME107901442387C0970912.78295.1906
PiperidinePiperidineME1079028082C0174616.7786.0971
PirbuterolPirbuterolME1079034845C078076.31241.1548
Precocene IIPrecocene IIME10790412565C0901814.2221.1175
PropanoatePropionic acidME1079051032C001630.7775.0449
Prostaglandin H2PGH2ME107906445049C0042711.68353.23
ProtoanemoninProtoanemoninME10790766948C070900.7797.0291
PsicofuranineAngustmycin CME10790865086C053426.74298.1144
Pulcherriminic acidPulcherriminic acidME1079093083664C205150.83257.1471
PUTRESCINEPutrescineME1079101045C001340.5689.108
(R)-3-((R)-3-Hydroxybutanoyloxy)butanoate-ME1077005459971C045467.65191.093
RiboflavinRiboflavinME107911493570C002557.96377.1451
(R)-MevalonateMevalonic acidME107701439230C004180.72149.0821
(S)-2,3,4,5-Tetrahydropyridine-2-carboxylate(S)-1-Piperideine-6-carboxylic acidME10770224771808C004500.68128.071
S-(2-Chloroethyl)glutathione-ME1079123034823C203040.8370.0836
Schizonepetoside E-ME10791346173963C176387.53349.1836
sn-Glycero-3-phospho-1-inositolsn-Glycero-3-phosphoinositolME10791445480545C012250.7335.0739
sn-Glycero-3-phosphoethanolaminesn-Glycero-3-phosphoethanolamineME107915444183C012330.7216.0631
SN-GLYCEROL 3-PHOSPHATEsn-Glycero-3-phosphateME107916439162C000930.71173.0212
SPERMIDINESpermidineME1079171102C003150.55146.1652
Succinic anhydrideSuccinic anhydrideME1079187922C195242.29101.0239
SuccinimideSuccinimideME10791911439C072731.02100.0399
SUCROSESucroseME1079205988C000890.79365.1052
SulcatoneSulcatoneME1079219862C072878.62127.112
TAURINETaurineME1079221123C002450.68126.0226
Terpendole G-ME10792310411534C2058612.73452.2771
Tolmetin sodium-ME10792423665411C023280.78280.0916
TRANS-4-HYDROXYPROLINEtrans-4-HydroxyprolineME10792511137200C043970.7130.0501
trans-Cinnamatetrans-Cinnamic acidME107926444539C004230.76149.0602
TrientineTrientineME1079275565C071660.64147.1613
Trimethylamine N-oxideTrimethylamine N-oxideME1079281145C011040.9276.0765
Tromethamine2-Amino-2-methylol-propane-1,3-diolME1079296503C071820.69122.0815
Trp-P-1-ME1079305284474C193068.69212.1182
URATEUric acidME1079311175C003661.87169.0358
URIDINEUridineME1079326029C002992.86267.0587
Xanthan-ME1079337107C0146413.2183.0806
XanthineXanthineME1079341188C003852.5153.0409
Xanthurenic acidXanthurenic acidME1079355699C024707.47206.045
Zeatintrans-ZeatinME107936449093C003716.64220.1181
ZingeroneZingeroneME10793731211C1749713.4195.1018


Analysis: ESI Negative mode

SelectMetabolite Name RefMet Name/Standardized Name* WorkBench
Metabolite_ID		 PubChem
Compound_ID		 Kegg Id Retention
time/index		 m/z ratio
1,2-Bis(4-nitrophenyl)ethane-ME10794369776C145897.65271.0703
16-Dehydroprogesterone16,17-DidehydroprogesteroneME107944101964C0320714.87311.2012
1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-ph...PE 16:0_18:1ME10794559834030C1387716.61716.5211
1-Hydroxy-2-naphthoate1-Hydroxy-2-naphthoateME1079466844C032031.1187.0409
20-Hydroxyecdysone20-HydroxyecdysoneME1079505459840C0263313.65479.2978
2,3-Bis-O-(geranylgeranyl)glycerol 1-phosphate2,3-bis-O-(Geranylgeranyl)glycerol 1-phosphateME10794714556935C0463816.45715.5098
2,4-Dichlorotoluene-ME1079487254C183000.59158.9773
2,4-Dinitroaniline2,4-DinitroanilineME1079497321C147130.87182.0215
2-Aceto-2-hydroxybutanoate2-AcetolactateME10795121C006597.13145.0492
2-Amino-5-phosphopentanoic acid-ME1079521216C137341.07196.037
2-Aminobenzenesulfonate2-Aminobenzenesulfonic acidME1079536926C063330.72172.0085
2-Ethylhexyl phthalateMonoethylhexyl phthalic acidME107954-C0334313.55277.1443
2-Oxoglutarate2-Oxoglutaric acidME10795551C000261.11145.013
2-Phosphinomethylmalate-ME1079566336010C179470.78211.0003
3-(2-Hydroxyphenyl)propanoate3-(2-Hydroxyphenyl)propanoic acidME1079576930705C011988.72165.0546
3,4-Dihydroxy-L-phenylalanineDOPAME1079596047C003550.92196.0604
3-(4-Hydroxyphenyl)lactateHydroxyphenyllactic acidME1079589378C036727.53181.0493
3,5-Dinitroguaiacol-ME10796014345197C1710111.18213.0148
3,7,4'-Tri-O-methylquercetinAyaninME1079615280682C044447.63343.0799
3-Hydroxy-2-methylpyridine-4,5-dicarboxylate3-Hydroxy-2-methylpyridine-4,5-dicarboxylateME10796254683777C0460410.28196.0243
3-Hydroxyhexobarbital-ME107963439898C030686.87251.1036
3-HYDROXYKYNURENINEHydroxykynurenineME10796489C032273.24223.0716
3-Methyleneoxindole3-MethyleneoxindoleME107965150946C027969.74144.0442
4,4'-Biphenyldithiol-ME10796681399C145697.14217.0172
4,8-Dihydroxyquinoline_1Quinoline-4,8-diolME107967440737C056377.33160.0393
4,8-Dihydroxyquinoline_2Quinoline-4,8-diolME107968440737C056373.29160.0393
4-Chloroacetanilide_14-ChloroacetanilideME10796910871C144941.33168.0232
4-Chloroacetanilide_24-ChloroacetanilideME10797010871C144941.89168.0232
4-Hydroxy-4-methylglutamate(2S,4S)-4-Amino-2-hydroxy-2-methylpentanedioic acidME107971440894C060340.99176.0554
4-Hydroxybenzoate4-Hydroxybenzoic acidME107972135C001567.85137.0231
4-Imidazolone-5-propanoate4-Imidazolone-5-propionic acidME107973128C036800.98155.045
4-Oxoproline4-Oxo-prolineME107974107541C018771.85128.034
4-Sulfobenzyl alcohol-ME1079759543135C066788.46187.0061
(4Z,7Z,10Z,13Z,16Z,19Z)-Docosahexaenoic acidDHAME107939445580C0642915.7327.2347
5-(4-Hydroxybut-1-ynyl)-2,2'-bithiophene-ME107976440357C044867.02233.012
5-Acetylamino-6-formylamino-3-methyluracil5-Acetylamino-6-formylamino-3-methyluracilME107977108214C163650.75225.0611
5-Hydroxymethyldeoxycytidylate-ME107978440189C039977.64336.0593
5-Methylthiopentanaldoxime5-MethylthiopentanaldoximeME10797925010757C172450.72146.064
5-Oxo-1,2-campholide5-Oxo-1,2-campholideME107980439864C0295210.56181.0859
5''-Phosphoribostamycin-ME10798170678656C1800416.26533.1822
(+/-)-6-Acetonyldihydrosanguinarine-ME107938-C122010.8388.1172
6-BenzylaminopurineCytokinin BME10798262389C1126313.2224.0924
6-Phospho-D-glucosaminate-ME10798371728452C205897.37274.0333
7-Methyluric acid7-Methyluric acidME10798469160C163556.23181.0357
9,10-Phenanthroquinone9,10-PhenanthroquinoneME1079856763C032430.7207.0446
9,12,13-TriHOME9,12,13-TriHOMEME1079869858729C1483311.05329.2334
(9R,10R)-Dihydroxyoctadecanoic acid9,10-Dihydroxystearic acidME10794012235228C0831412.97315.2534
AcadesineAICARME10798717513C046633.21257.0886
Acetyl-maltoseAcetyl-maltoseME10798811349616C021303.43383.1219
ADPADPME1079896022C000081.06426.0222
alpha,beta-Didehydrotryptophanalpha,beta-DidehydrotryptophanME1079905280990C067320.9201.0678
AMPAMPME1079916083C000201.1346.0553
ArachidonateArachidonic acidME107992444899C0021916.01303.233
ArginineArginineME1079936322C000620.7173.1033
Aryl sulfatePhenyl hydrogen sulfateME10799474426C008507.01172.9905
Aspartic acidAspartic acidME1079955960C164330.76132.029
Azelaic acidAzelaic acidME1079962266C082619.24187.0965
BakankosideBakankosideME107997442506C099147.16356.1345
Bakkenolide ABakkenolide AME107998442173C0935014.21233.1541
BendiocarbBendiocarbME1079992314C144337.77222.0763
Bis(4'-chlorophenyl)acetate_1-ME1080004616189C066401.33278.998
Bis(4'-chlorophenyl)acetate_2-ME1080014616189C066401.89278.998
BMS-268770-ME108002-C141230.78489.1666
Botrydial_1BotrydialME108003185781C0962212.19309.1709
Botrydial_2BotrydialME108004185781C0962212.53309.1709
C20913-ME10800592042779C209130.87233.0776
CammaconineColumbiananineME108006441715C0866611.94406.2629
CITRATECitric acidME108007311C001581.97191.0189
Coniferyl alcoholConiferyl alcoholME1080081549095C0059011.13179.0701
CoroneneCoroneneME1080099115C193751.1299.0879
Creatine-D3CreatineME108010--0.9133.0798
CytidineCytidineME1080116175C004750.77242.0796
D-2-HydroxyisocaproateD-Leucic acidME108013439960C032647.95131.0701
D-Arabinono-1,4-lactoneD-Arabinono-1,4-lactoneME10801417723C006521.21147.0286
DCEBIODCEBIOME108015656765C138449.47228.9936
DCI-ME108016-C117720.74246.0462
D-ErythroseErythroseME10801794176C017960.84119.0341
D-GlucarateGlucaric acidME10801833037C008180.7209.0295
D-GLUCURONOLACTONEGlucuronolactoneME10801992283C026700.74193.0344
Dinoseb_12-(1-Methylpropyl)-4,6-dinitrophenolME1080206950C1430214.33239.0669
Dinoseb_22-(1-Methylpropyl)-4,6-dinitrophenolME1080216950C1430213.28239.0669
DiphyllinDiphyllinME108022100492C105590.78379.0818
D-(+)-TREHALOSETrehaloseME1080127427C010830.78377.086
D-XylonateXylonic acidME1080235460056C005020.73165.0397
Endothal-disodium-ME1080248519C1872413.62229.0087
Ethanolamine phosphatePhosphoethanolamineME1080251015C003460.69140.0106
EtorphineEtorphineME10802626721C1179313.02410.2364
FagomineFagomineME10802772259C101440.96146.0811
FenamiphosFenamiphosME10802831070C186590.76302.1006
Fenclorim-ME10802977338C188321.06222.9831
Fructoselysine 6-phosphateFructoselysine 6-phosphateME10803050909832C164890.8387.1147
FurmecycloxFurmecycloxME10803143359C1891215.24250.1447
gamma-L-Glutamyl-D-alaninegamma-L-Glutamyl-D-alanineME10803225200557C037381.11217.0825
GemfibrozilGemfibrozilME1080333463C0702014.96249.1493
GLUCONIC ACIDGluconic acidME10803410690C002570.74195.0501
Glucose 6-phosphate/Fructose 6-phosphateGlucose 6-phosphateME108035-C000850.72259.0223
Glucose/Fructose [M+Cl]-HexoseME108036-C00293/C014960.74215.032
GlutamineGlutamineME1080375961C003030.72145.0605
Glycerophosphoglycerolsn-Glycero-3-phosphoglycerolME108038439964C032740.74245.043
GuanosineGuanosineME1080396802C003876.28282.0844
Hedamycin-ME10804098033C157598.73745.3389
HydroxyflutamideHydroxyflutamideME10804191649C142043.23291.0601
Hyoscyamine methylbromide-ME10804217882C131097.08382.0998
InosineInosineME1080436021C002946.16267.0735
Jamaicamide C-ME10804449787033C1821410.09489.2531
L-2,3-Dihydrodipicolinate-ME1080455460228C0334010.55168.029
L-2-Aminoadipatealpha-Aminoadipic acidME10804692136C009560.9160.0604
LactucinLactucinME108047442266C094897.64275.0923
LamiideLamiideME108048443327C116448421.136
L-Arginine phosphateArginine phosphateME10804992150C059450.7253.0701
L-CladinoseL-CladinoseME1080505460588C119178.67175.0964
L-GlutamateGlutamic acidME10805133032C000250.76146.0447
L-HistidineHistidineME1080526274C001350.69154.0609
LinoleateLinoleic acidME1080535280450C0159516.26279.2325
L-MethionineMethionineME1080546137C000731.11148.0424
L-Methionine S-oxideMethionine sulfoxideME108055158980C029890.75164.0376
L-PhenylalaninePhenylalanineME1080566140C000796.25164.0707
L-TryptophanTryptophanME1080576305C000787.64203.0819
L-TYROSINETyrosineME1080586057C000823.43180.0657
L-Tyrosine methyl esterMethyl tyrosinateME10805970652C0340413.33194.0815
L-Tyrosine methyl ester 4-sulfate-ME10806021145083C042017.4274.0387
LysineLysineME1080615962C164400.65145.0969
MalaoxonMalaoxonME10806215415C074981.09313.0512
MannitolMannitolME1080636251C003920.74181.0703
MelampodininMelampodininME10806411953936C095010.82521.1716
Mercury(2+)_1-ME10806526623C007030.72200.9644
Mercury(2+)_2-ME10806626623C007033.55200.9644
Mercury(2+)_3-ME10806726623C007033.89200.9644
Mercury(2+)_4-ME10806826623C007033.15200.9644
Mercury(2+)_5-ME10806926623C007034.69200.9644
MYO-INOSITOLMyo-inositolME108070892C001370.83179.0552
N-Acetyl-D-glucosamine 6-phosphateN-Acetyl-glucosamine 6-phosphateME108071440996C003576.24300.0467
N-ACETYL-D-MANNOSAMINEN-Acetyl-mannosamineME108072439281-0.76256.0594
N-Acetyl-D-tryptophanN-Acetyl-D-tryptophanME108073439917C031379.48245.093
N-Acetyl-L-aspartateN-Acetylaspartic acidME10807465065C010421.11174.0397
N-Acetyl-L-glutamateN-Acetylglutamic acidME10807570914C006242.24188.0554
N-Acetyl-L-leucineN-AcetylleucineME10807675619C027108.27172.0968
N-AcetylornithineN-AcetylornithineME108077439232C004370.98173.092
N-Glycolyl-D-mannosamine 6-phosphateN-Glycolyl-mannosamine 6-phosphateME108078440300C043363.43316.0411
NidificeneNidificeneME10807914865953C1711611.37394.975
N-MethylhexanamideN-Methyl hexanamideME108080439790C027228.69128.1068
OxalureateOxaluric acidME108081456C008020.85131.0103
Phosphoramide mustardPhosphoramide mustardME10808296356C076471.1218.9855
PhytuberinPhytuberinME108083442387C0970912.78293.1755
Plocamene D-ME1080846443228C171051.2236.9987
ProlineProlineME108085145742C164350.86114.0547
PyridafenthionPyridaphenthionME1080868381C187627.65339.0575
QuinolinateQuinolinic acidME1080871066C037220.96166.0139
Quizalofop-ethyl-ME10808853518C185303.21371.0815
(R)-2-Hydroxystearate2-Hydroxystearic acidME10794121145040C0304214.47299.2592
RishitinRishitinME108089108064C0971514221.154
SalanninSalanninME1080906437066C0878012.37595.2879
SepiapterinSepiapterinME1080915200C008350.83236.0777
(S)-MalateMalic acidME107942222656C001491.06133.0129
sn-Glycero-3-phospho-1-inositolsn-Glycero-3-phosphoinositolME10809245480545C012250.7333.0585
sn-Glycero-3-phosphoethanolamine_1sn-Glycero-3-phosphoethanolamineME108093444183C012330.71214.0494
sn-Glycero-3-phosphoethanolamine_2sn-Glycero-3-phosphoethanolamineME108094444183C0123312.91214.0502
sn-Glycerol 3-phosphatesn-Glycero-3-phosphateME108095439162C000930.72171.0054
Sodium citrate-ME1080966224C132491.12292.9866
Suberic acidSuberic acidME10809710457C082788.58173.081
SuccinateSuccinic acidME1080981110C000422.32117.0182
Taxa-4(20),11(12)-dien-5alpha-yl acetate-ME108099443486C1189616.2329.2489
TDE_1DDDME1081006294C066361.32316.9471
TDE_2DDDME1081016294C0663617.5316.9472
Terpendole G-ME10810210411534C2058612.73450.2623
ThiometonThiometonME10810312541C186651.06244.9912
ThreonateThreonic acidME1081045460407C016200.76135.0298
ThreonineThreonineME1081056288C001880.73118.0495
Thymyl acetateThymol acetateME10810668252C0990912.59191.1067
TriadimenolTriadimenolME10810741368C111277.82294.1016
UDP-glucoseUDP-glucoseME10810853477679C000290.85565.0473
UDP-N-acetyl-alpha-D-glucosamineUDP-N-acetylglucosamineME10810916667373C000430.92606.0743
Urate_1Uric acidME1081101175C003661.34167.02
Urate_2Uric acidME1081111175C003661.9167.02
URIDINEUridineME1081126029C002992.9243.062
VicineVicineME10811391446C084373.21303.0941
VolkeninVolkeninME108114181811C083446.64286.091
XanthineXanthineME1081151188C003852.54151.025
Xanthurenic acidXanthurenic acidME1081165699C024707.46204.0295
Z-Arg-Arg-NHMec-ME108117-C0233412.4620.2913
Zeatintrans-ZeatinME108118449093C003716.64218.1026
ZonisamideZonisamideME1081195734C075048.94211.0177


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