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

SelectMetabolite Name RefMet Name/Standardized Name* WorkBench
Metabolite_ID		 PubChem
Compound_ID		 Kegg Id Retention
time/index		 m/z ratio
2-Pipecoline-ME860895--3.17100.11227
3-Methylcyclopentene-ME860914--2.875333333100.1123133
PyrrolidinePyrrolidineME861216--9.129333333101.2364073
CyclohexylamineCyclohexylamineME861007--6.884955882101.3189066
1-Aminocyclopropane-1-carboxylate1-Aminocyclopropanecarboxylic acidME860834--4.66075102.05511
2-MethylpropanalO-methyloxime-ME860886--5.551652174102.0914942
HexylamineHexylamineME861067--7.4711102.127903
AL9450000-ME860963--6.060428571102.2331057
DiethanolamineDiethanolamineME861023--7.979647059102.90806
N-NitrosodiethylamineN-NitrosodiethylamineME861164--5.398103.08665
CholineCholineME860997--6.353166667104.1070776
IE1225000-ME861073--6.8225104.117785
(R)-3-Hydroxybutanoate3R-Hydroxybutyric acidME860798--5.504105.05423
4-Vinylpyridine4-VinylpyridineME860936--6.280583333106.0652522
Acetoneoxime-ME860957--5.248106.08645
1-Methylpyrrolinium1-MethylpyrroliniumME860839--8.055588235108.9264365
1-Nitrosopiperidine-ME860841--6.292333333109.083185
2-Aminophenol2-AminophenolME860872--14.36766667110.0601833
Selsun-ME861221--5.23112.89568
2-Piperazinecarboxylic acid-ME860896--0.993113.0710667
UX9465930-ME861258--4.047113.10711
CaprolactamEpsilon-caprolactamME860993--14.022114.09145
BenzylamineBenzylamineME860985--7.322975115.4913795
2-Methylcholine2-MethylcholineME860884--9.001666667115.8712813
n-Hexanamide-ME861156--10.65992105116.1069055
FumaricacidFumaric acidME861048--4.4225117.01874
Tetramethylurea-ME861236--14.1175117.10205
CreatinineCreatinineME861000--11.91354545117.4922336
L-(+)-ValineValineME861090--13.09133333118.08584
[FAamino(5:0)]2S-amino-pentanoicacid2S-Aminopentanoic acidME860807--6.43925118.0862119
1_2-Diaminobenzene-ME860824--9.964857143118.2262814
2-Methyl-5-vinylpyrazine-ME860882--0.379121.07617
1_4-Lactonegamma-ButyrolactoneME860826--1.146666667121.39868
Leucinamide-ME861095--12.36230769121.4198085
CyanopyrazineCyanopyrazineME861003--12.0205122.0527225
PhenethylaminePhenylethylamineME861202--3.893122.096
NicotinamideNiacinamideME861158--1.577123.055085
2,4-Diaminotoluene2,4-ToluenediamineME860857--14.07123.091538
D-2-Amino-hexano-6-lactamUndecylprodigiosinME861009--5.969666667123.0985711
tuaminoheptaneTuaminoheptaneME861252--7.1496123.5776131
Dichlorocarbene-ME861019--2.317123.97115
D-ProlineD-ProlineME861034--4.90475124.0770575
6-[(1Z)-1-Propen-1-yl]-2,3,4,5-tetrahydropyridine-ME860945--13.18266667124.1120533
MethylimidazoleacetaldehydeMethylimidazole acetaldehydeME861120--14.533125.0709
2-Ethyl-4,5-dimethylthiazole2-Ethyl-4,5-dimethylthiazoleME860876--1.212126.09112
4-Methyl-2-propyloxazole-ME860933--14.664126.09123
4-Methoxyanilinep-AnisidineME860932--11.088126.4376479
BenzamidineBenzamidineME860984--9.0102127.481044
1-Ethyl-1H-pyrrole-2-carboxaldehyde-ME860835--1.6465128.0860475
heptaminolHeptaminolME861064--1.299128.14294
3-Guanidinopropanoate3-Guanidinopropanoic acidME860910--7.4796128.474444
2,2'-Iminodipropan-1-ol-ME860852--6.9065129.6146025
D-PipecolicacidD-Pipecolic acidME861033--14.612130.08584
4-Guanidinobutanal4-GuanidinobutanalME860928--4.295130.09723
Amidrine-ME860970--2.507130.1587539
OctylamineOctylamineME861182--12.25564516130.1588277
LQ1825000-ME861100--4.992428571130.5392257
1-Phenylethylamine1-PhenylethanamineME860845--9.513038462130.6094415
Quinoxaline-ME861217--1.097131.06016
(3R)-beta-Leucinebeta-LeucineME860785--10.7027619132.1016386
TO0110000-ME861239--5.011132.10172
ConiineConiineME860999--8.941740741132.3682793
DD9275000-ME861011--6.0014375133.07576
NFPAsn-Phe-ProME861154--4.799615385133.7996354
NX4900000-ME861180--10.46333333134.0959867
2-Phenylcyclopropanamine-ME860894--6.782727273134.0960655
5-Aminopentanamide5-AminopentanamideME860939--7.693666667134.2187937
2-Hydroxyphenethylamine2-HydroxyphenethylamineME860878--6.489714286135.5182043
4-Hydroxymethylphenylhydrazine4-(Hydroxymethyl)phenylhydrazineME860930--8.30325136.0025633
4-Hydroxy-L-threonine4-HydroxythreonineME860929--2.346136.06138
AdenineAdenineME860961--2.577727273136.0613873
AcetylcadaverineN-AcetylcadaverineME860958--14.038136.12811
THREONIC ACID, L--ME861237--2.713137.04525
allopurinolAllopurinolME860967--3.357125137.04537
2-Methylnicotinamide-ME860885--14.868137.07063
3-Carboxy-1-methylpyridinium;N-Methylnicotinicacid-ME860907--5.493138.05465
IsoniazidIsoniazidME861083--5.069666667138.0659033
gamma-Coniceinegamma-ConiceineME861050--6.478272727138.7120233
4-Nitroaniline4-NitroanilineME860934--2.03775139.049855
4-Trimethylammoniobutanal-ME860935--8.007139.2393844
SulfateSulfateME861231--4.699140.00127
6-Methylnicotinamide6-MethylnicotinamideME860949--5.729666667141.9170767
Bis(2-chloroethyl)amine-ME860987--4.329142.01807
2-Pentyl-1,3-thiazolidine-ME860892--4.092142.10511
AmphetamineDextroamphetamineME860973--7.956366667142.3548677
PinidinePinidineME861206--11.5931875142.4893228
(+)-N-Methylconiine-ME860760--9.336314286143.988786
valpromideValpromideME861260--9.9032144.137949
TX1575000-ME861253--13.8678144.174446
2-Aminoacetophenone;O-Acetylaniline-ME860871--14.3535144.588775
Ethephon(2-chloroethyl)phosphonic acidME861037--5.718151515144.9817512
iminoquinoline-ME861076--14.808145.07585
L-isoglutamine-ME861099--4.164145.09679
IndaneIndaneME861078--2.884923077145.1094531
US4056000-ME861257--2.391428571145.8413014
[FAoxo_amino(6:0)]3-oxo-5S-amino-hexanoicacid(S)-5-Amino-3-oxohexanoic acidME860810--0.201146.08086
3-Dehydroxycarnitine3-DehydroxycarnitineME860908--4.888795455146.1171755
afegostatAfegostatME860962--1.454146.7109862
DimethylbenzimidazoleDimethylbenzimidazoleME861027--14.129147.0914225
n-Dibutyl sulfide-ME861152--6.94625147.1204775
Hydroxynorleucine-ME861072--2.113148.09653
3-Methyl-3-phenylazetidine-ME860911--11.2314148.111726
Tris(hydroxymethyl)aminomethane2-Amino-2-methylol-propane-1,3-diolME861249--5.039666667148.5858983
5,6-Dichloro-1,3-cyclohexadiene-ME860938--0.95148.99269
Nornicotine;L-Nor-nicotine-ME861166--11.03525149.10702
2,3-Diethyl-5-methylpyrazine-ME860854--8.7349149.419971
Crotono-betaineCrotonic acid betaineME861001--9.998857143149.6279621
D-MethionineD-MethionineME861030--5.577150.05789
D-CathinoneCathinoneME861010--7.845150.09106
Pentahomoserine-ME861198--12.756150.093885
PhenterminePhentermineME861204--13.573150.127345
GuanineGuanineME861061--4.311152.05622
Imidazole-4-acetaldehydeImidazole-4-acetaldehydeME861075--14.301152.08162
4-(hydroxylamino)-N,N-dimethylaniline4-(Hydroxylamino)-N,N-dimethylanilineME860922--4.516153.10172
2-Isopropyl-3-methoxypyrazine-ME860881--8.359166667153.101945
2-Isobutoxypyrazine-ME860879--0.332153.10208
(-)-trans-Carveoltrans-CarveolME860758--12.852153.12821
TropinoneTropinoneME861250--10.991875153.2415738
4,6-Diamino-5-formamidopyrimidineFAPy-adenineME860924--3.5085154.07183
1-(4-Hydroxyphenyl)-2-aminoethanol-ME860814--4.477154.08675
5-Methyl-4-pentyl-3,4-dihydro-2H-pyrrole-ME860943--14.32766667154.1586933
N-Methylphenylethanolamine-ME861162--8.914806452154.3339726
3-(tert-butyl)-1-methyl-4,5-dihydro-1H-pyrazol-5-o...-ME860902--3.153155.117465
TrimethylpyrazineTrimethylpyrazineME861248--0.5325155.11754
(-)-BorneolBorneolME860753--0.221155.14379
(+/-)-Eucalyptol1,8-CineolME860761--5.445666667155.1441
2-Pentylpyridine2-PentylpyridineME860893--5.323878788155.2868903
Isoleucine - 6C13-ME861082--10.54216129155.361121
ARECOLINEArecolineME860977--4.526156.10147
(S)-CarnitineCarnitineME860801--4.836666667156.1085267
Propylhexedrine-ME861212--9.316521739156.1743587
Nonane-4_6-dioneNonane-4,6-dioneME861165--4.346157.12187
PhenelzinePhenelzineME861201--9.65475157.12333
TO0127900-ME861240--10.1726159.340621
delta-GuanidinovalericacidDGVAME861015--3.921160.10755
RH0365500-ME861218--2.24160.1329
2_2'-Iminodipropanoate-ME860865--4.437162.07551
2,4-Dimethyl-5,6,7,8-tetrahydroquinoline-ME860859--10.469162.1272821
N-acetyl-DL-cysteineN-AcetylcysteineME861142--0.894164.03794
(R)-2-Methylimino-1-phenylpropan-1-ol(R)-2-Methylimino-1-phenylpropan-1-olME860797--14.157164.106725
N-Ethylamphetamine-ME861153--1.772666667164.1430167
dimetamfetamine-ME861025--0.643164.14316
N,N-Dimethyl-N-phenylurea-ME861134--14.3775165.10193
2,5-Diethyl-3,6-dimethylpyrazine-ME860860--13.47066667165.13819
1-Methylguanine1-MethylguanineME860838--3.191166.0718333
D-PhenylalanineD-PhenylalanineME861032--4.948166.08572
2-Isobutyl-3-methoxypyrazine-ME860880--10.22081818167.1175018
Cyclohexapyrazine-ME861006--0.424167.11784
?-Coniceine-ME860804--6.813167.15361
2-Dimethylamino-5,6-dimethyl-4-hydroxypyrimidine-ME860874--6.4994168.11262
mephentermineMephentermineME861109--10.2644168.1483044
HordenineHordenineME861071--12.15183333168.9599617
2,2,5,5-tetramethyl-2,5-dihydro-1H-pyrrole-3-carbo...-ME860851--4.479169.13299
undecenal-ME861254--0.6365169.15957
Etiracetam-ME861042--4.419171.11222
MexiletineMexiletineME861121--4.66171.1325913
Methyl diisopropyl propionamide-ME861116--10.12172.169115
Gly-Pro(Glycylproline)-ME861057--4.045173.09151
Tryptoline-ME861251--3.039090909173.1069727
AnatabineAnatabineME860974--14.30325173.116845
N6_N6_N6-Trimethyl-L-lysine-ME861140--0.683173.16448
3-Methylcrotonylglycine3-MethylcrotonylglycineME860913--7.7515174.09393
Gramine3-(Dimethylaminomethyl)indoleME861058--14.168175.12279
Nigrifactin-ME861159--6.937826087176.1429543
Ala-Pro(Alanyl-Proline)Ala-ProME860964--5.0715178.101945
Bethanidine-ME860986--3.618178.13317
1,1-Diethoxy-3-(methylthio)propane-ME860817--4.507179.11009
(S)-NicotineNicotineME860802--8.275179.135655
Methoxyphenamine-ME861112--3.87180.13771
8-methylthiooctanaldoxime8-MethylthiooctanaldoximeME860954--1.2985181.12026
RilmenidineRilmenidineME861219--6.3755181.1329333
(cyclohexylmethyl)pyrazine-ME860795--4.021285714181.71332
3-Amino-3-(4-hydroxyphenyl)propanoatebeta-TyrosineME860905--5.439182.08099
6-methyltetrahydropterin6-MethyltetrahydropterinME860950--3.158111111182.1033089
DicyclohexylamineN,N-DicyclohexylamineME861020--9.823162162183.9209946
PhenmetrazinePhenmetrazineME861203--10.5441183.927516
Epinephrine(OrL-Adrenaline)-ME861035--4.08184.0963
N-(3-acetamidopropyl)pyrrolidin-2-oneAcisogaME861131--4.06185.12792
(R)-6-Hydroxynicotine-ME860799--6.4796185.522748
2-Amino-4-[(3-aminopropyl)amino]butanoic acid-ME860870--3.9305186.6403267
(2E,6Z)-N-Ethyl-2,6-nonadienamide-ME860775--9.687166667186.8254517
Dinitrosopentamethylenetetramine-ME861028--5.41187.09353
HistamineHistamineME861068--13.6865188.140945
N-HydroxydecanamideN-Decanohydroxamic acidME861157--3.824188.164006
3-PhosphonooxypyruvatePhosphohydroxypyruvic acidME860915--13.0524375192.6774719
TocainideTocainideME861241--13.3811875193.1331625
(-)-Salsoline-ME860757--5.534194.11705
2-(Hydroxymethyl)-1-methyl-3,4,5-piperidinetriol-ME860850--2.960666667194.1199483
(2E,6Z)-N-Cyclopropyl-2,6-nonadienamide-ME860774--8.694194.153465
(-)-LupinineLupinineME860755--7.5056195.7744527
GuanadrelGuanadrel SulfateME861060--4.638196.14386
Dolichotheline-ME861031--6.069196.1439363
(4-amino-1,2,5-oxadiazol-3-yl)(1-pyrrolidinyl)meth...-ME860787--1.810028571197.1821829
APMAla-Pro-MetME860976--8.9444197.4421693
N-Acetyl-L-histidineN-AcetylhistidineME861144--6.133198.08665
PEG-4-ME861196--6.761150943198.3467308
2-Oxo-3-(phosphonooxy)propyl formate-ME860890--11.27588889199.0006289
(1S,6S)-6-Aminooctahydro-1-indolizinyl acetate-ME860763--4.554199.14351
Lauramide-ME861093--8.826653846199.5076219
11-Nitro-1-undecene-ME860831--2.466200.16407
HMBA-ME861069--4.2355201.159155
indanazoline-ME861077--4.542202.1332
CapryloylglycineNA-Gly 8:0ME860994--7.9045202.14331
11-Aminoundecanoic acid11-Aminoundecanoic acidME860830--8.667269231202.1795837
SpermineSpermineME861224--5.298203.222465
(2,7-Dimethyloctahydro-1H-cyclopenta[c]pyridin-4-y...-ME860765--6.11445203.3847885
Acetyl-L-carnitineCAR 2:0ME860959--5.703204.12248
246I1D7TDL-ME860867--5.519888889204.1669444
Levamisole hydrochlorideLevamisoleME861097--2.100029412205.0787947
Dexamisole-ME861018--8.09634375205.0788075
GeosminGeosminME861052--1.254205.15715
ethambutolEthambutolME861036--14.148205.19064
3-Amino-5,7-dimethyl-1-adamantanol-ME860906--6.3635205.377421
2-Ethyl-2-phenylmalonamidePhenylethylmalonamideME860875--4.016207.11206
dicyclohexylcarbodiimide-ME861021--3.223207.18486
.alpha.-Naphthylthiourea-ME860803--1.210428571207.9280071
MiglitolMiglitolME861124--2.783648649208.1174154
Calystegin B2Calystegin B2ME860992--1.598208.117445
2-Deoxy-2-(dimethylamino)-alpha-D-glucopyranose-ME860873--0.859208.11753
LucidulineLucidulineME861101--1.8208.16912
ammodendrineAmmodendrineME860971--1.901209.16439
1,5-Dimethylbicyclo(3.2.1)octan-8-one oxime-ME860821--0.403209.16467
GabapentinGabapentinME861049--6.6182209.764006
MTICMTICME861128--4.121210.10909
Bamethan-ME860983--3.824210.14816
Cyclo(leucylprolyl)-ME861004--14.002211.14382
ISOXYL-ME861086--4.674212.13957
4-(1,2-Dihydroxy-2-propanyl)-1-methyl-1,2-cyclohex...-ME860917--13.42414286212.4400029
Atipamezole-ME860981--1.599166667213.1382117
Atagabalin-ME860980--10.0926875213.548075
[FAoxo(6:0)]N-(3-oxo-hexanoyl)-homoserinelactoneN-(3-Oxo-hexanoyl)-homoserine lactoneME860809--4.102214.10675
2,4,6-triaminotoluene2,4,6-TriaminotolueneME860856--4.4945215.16407
gamma-Glutamyl-gamma-aminobutyraldehydegamma-Glutamyl-gamma-aminobutyraldehydeME861051--4.5217.11768
glutethimide-ME861055--4.447218.11857
deoxyhypusineDeoxyhypusineME861016--4.3205218.18541
prolintaneProlintaneME861211--1.9555218.189765
N-Cyclohexyl-N-methylcyclohexanamine-ME861150--2.149218.972415
6-fluoro-3,4-dihydro-2H-pyrano[2,3-b]quinolin-5-am...-ME860948--1.086219.0944488
5-Methoxy-N_N-dimethyltryptamine-ME860942--3.767219.14845
(3Z,6E)-N-Hydroxy-2,4,4,7-tetramethyl-6,8-nonadien...-ME860786--9.8457219.792502
Imagabalin-ME861074--5.181785714220.0420864
3-(1-Piperazinyl)benzisothiazole-ME860898--2.048714286220.0896843
[FAhydroxy(4:0)]N-(3S-hydroxy-butanoyl)-homoserine...-ME860808--0.845220.11753
sedamine-ME861220--7.445220.16889
1-[1-(1-Benzothiophen-2-yl)ethyl]urea-ME860823--1.3352221.07384
3-(Isothiocyanatomethyl)-1H-indole-ME860901--1.0288221.073854
7_8-Diaminononanoate7,8-Diaminononanoic acidME860952--14.4905221.185595
fluromidine-ME861046--5.029222.00425
UNII:6S7S02945H-ME861255--7.304933333225.0108233
aspergillic acid-ME860979--4.45225.15886
N8ONU3L3PG-ME861141--3.885226.14301
N-Acetyl-D-quinovosamine-ME861143--0.816666667227.1044967
1_8-Diazacyclotetradecane-2_9-dione-ME860827--1.521227.17475
Cyprodenate-ME861008--2.1785228.195185
Myristamide-ME861129--2.9976228.23139
2S-Amino-tridecanoic acid2S-Aminotridecanoic acidME860897--10.15091667228.7097758
PregabalinPregabalinME861210--6.405642857231.6168729
6-{[2-(2-oxo-1-imidazolidinyl)ethyl]amino}-2-pyrid...-ME860946--5.709888889232.1148456
5-Methoxybenzimidazole-ME860941--1.801234.09254
StachydrineStachydrineME861228--8.243234.62737
Stiripentol-ME861230--4.381235.1329
5-Ethyl-4-methyl-2-octylthiazole-ME860940--14.1105240.179595
(2E,4Z)-N-Isobutyl-2,4-decadienamide-ME860772--8.216142857242.5010543
ThymidineThymidineME861238--5.34243.09862
Pantothenicacid(VitaminB5)Pantothenic acidME861194--1.21225244.137005
N-UndecanoylglycineNA-Gly 11:0ME861179--4.4626244.190012
N-(6-Aminohexanoyl)-6-aminohexanoate-ME861133--4.171245.18526
5-Undecyl-1,2-dihydro-3H-pyrrol-3-one-ME860944--8.258245.223985
TolperisoneTolperisoneME861242--4.3075246.18633
Naphthalen-2-amine2-AminonaphthaleneME861147--14.178247.1228425
2,3-Dimethoxy-5-methyl-6-(3-methyl-2-buten-1-yl)-1...-ME860855--4.448247.1397933
AphyllineAphyllineME860975--0.495666667249.1957833
OxibendazoleOxibendazoleME861189--1.255250.11763
N-DesmethyltramadolN-DesmethyltramadolME861151--4.508250.17925
Pumiliotoxin 251D-ME861213--14.543252.23125
tranexamic acidTranexamic acidME861244--7.7525255.651015
2-Methyl-6-undecylpiperidine-ME860883--7.405478261255.6758513
2P5MU968XW-ME860891--4.67525256.2067825
Hexadecanamide;Palmiticamide-ME861065--6.396947368256.2626358
N-MethyldioctylamineN-MethyldioctylamineME861161--1.226969697256.2990236
Decarbamoylsaxitoxin-ME861013--14.535257.13538
IsoquinolineIsoquinolineME861085--7.256333333258.11054
2-HexenoylcarnitineCAR 6:1ME860877--4.937258.16918
solenopsin-ME861223--6.909258.858405
N-Sulfo-D-glucosamineN-Sulfo-glucosamineME861176--4.78260.04328
N-cyclohexyl-1-methyl-5-(1H-pyrrol-1-yl)-1H-pyrazo...-ME861149--8.573891304261.9599761
CryptophorineCryptophorineME861002--14.8262.21604
4-(1,2,3-thiadiazol-4-yl)phenyl pivalate-ME860916--5.949916667263.0880875
3-(3,4,5-trimethoxyphenyl)propanoic acid-ME860899--10.86455556263.0881139
desvenlafaxineDesvenlafaxineME861017--12.715264.19462
TramadolTramadolME861243--13.506264.1950133
BORRELINEBorrelineME860988--0.98267.14875
Pifithrin-?-ME861205--1.138269.1098
(4-methylphenyl)[4-(7-methylthieno[3,2-d]pyrimidin...-ME860788--12.15028571269.5521357
Capsi-amideCapsiamideME860995--8.398666667270.2783321
ODA-ME861183--7.255725270.314635
L-gamma-Glutamyl-L-hypoglycin-ME861098--13.927271.13006
O-heptanoylcarnitineCAR 7:0ME861184--3.918274.20018
17-amino-5?-androstan-11-ol-ME860832--0.948274.25219
(2-Chlorophenyl)diphenylmethanol-ME860767--1.764277.076815
Ggamma-L-Glutamyl-L-glutamicacid-ME861053--5.562277.10374
4-(1-D-Ribitylamino)-5-amino-2_6-dihydroxypyrimidi...-ME860918--1.679277.11307
N1-(5-methylisoxazol-3-yl)-2-cyano-3-(4-cyanopheny...-ME861137--9.2206279.089699
7-chloro-2-methyl-3-(tetrahydrofuran-2-ylmethyl)-3...-ME860953--8.092193548279.0921071
N2-tetrahydrofuran-2-ylmethyl-4-(4-fluorophenyl)-1...-ME861139--10.25115279.092387
GraveolineGraveolineME861059--13.267280.09587
Moxisylyte-ME861127--2.5671280.190158
Methyl 15-cyanopentadecanoate-ME861114--14.1905282.24192
(2E)-2,3-Diphenyl-3-(2-pyridinyl)acrylonitrile-ME860769--1.51283.12533
arg-asnArg-AsnME860978--9.193333333283.15777
LevallorphanLevallorphanME861096--3.871166667284.20171
(4S)-4-[(2E)-2-Octenoyloxy]-4-(trimethylammonio)bu...CAR 8:1(2)ME860789--3.379286.2001
NSC 622050Androsterone 3-glucuronideME861175--14.338286.23667
Amide C18-ME860968--10.9935625289.2982369
4-[(1S)-1-Cyclohexyl-2-(2-piperidinyl)ethyl]cycloh...-ME860925--4.497310345292.4152676
MM3670000-ME861126--1.861774194292.74965
[FA(16:2)]N-hexadecyl-ethanolaminePalmitoyl-EAME860805--9.283571429297.7159314
2-(4-Methylthiazol-5-yl)ethyl decanoate-ME860849--1.213571429298.1847229
TridemorphTridemorphME861246--3.3091298.3094305
Dimethylaminopropionylphenothiazine-ME861026--1.255299.1204218
Alimemazine-ME860966--1.322299.15688
Glycerol 5-hydroxydodecanoate-ME861056--9.935299.8932744
MFCD24849356-ME861123--1.104300.12376
N-(3-Oxododecanoyl)homoserinelactone-ME861132--1.6775301.70443
FingolimodFingolimodME861044--14.21566667302.2539733
Sphinganine;2-Amion-1_3-octadecanediol-ME861225--3.657302.30426
(5S)-5-hydroxy-1,7-diphenylheptan-3-one-ME860791--1.674764706302.5697665
MeptazinolMeptazinolME861110--7.99825308.23059
(-)-cassineCassineME860754--10.41833333308.9487033
DicyclomineDicyclomineME861022--9.077421053310.2730942
7-(1-Ethoxyethoxy)-4,10-dimethyl-3,5,9,11-tetraoxa...-ME860951--7.310166667312.0639617
Palmitoyl Serinol-ME861192--2.476312.288795
9-DecenoylcarnitineCAR 10:1(9)ME860956--3.034314.23137
PALGLY-ME861191--12.426314.26819
OleamideOleamideME861185--11.6466314.304358
butoctamide-ME860990--2.523111111316.2107683
Amorolfine-ME860972--8.168088235318.2781638
Templetine-ME861234--6.7615318.290915
OrmosanineOrmosanineME861188--7.5375318.2909407
(R)-2_3-Dihydroxy-3-methylpentanoate-ME860796--4.646319.13522
3-Epihydroxy-2'-deoxymugineicacid-ME860909--1.524333333321.1295944
17-OXO DEXAMETHASONE-ME860833--14.29833333321.1804667
IprovalicarbIprovalicarbME861080--4.792321.21775
Methyl 4-{[6-deoxy-2,3,4-tri-O-methyl-alpha-L-gala...-ME861115--2.229324.1499
PF-04965842-ME861200--8.249666667324.1500183
N-benzyl-N-isopropyl-N'-[4-(trifluoromethoxy)pheny...-ME861148--9.151846154325.0639438
GW7191000-ME861062--4.37575328.195625
N_N-Dimethylsphing-4-enine-ME861136--10.18133333328.31995
4-(beta-Acetylaminoethyl)imidazoleN-AcetylhistamineME860921--12.692329.17101
Acmimycin-ME860960--5.775329.17133
4-(3,5-Diphenylcyclohexyl)phenol-ME860920--14.509329.19154
3-[(6-Oxodecanoyl)oxy]-4-(trimethylammonio)butanoa...-ME860904--2.015330.22636
OxomemazineOxomemazineME861190--0.939331.14644
Heptaethylene GlycolHeptaethylene glycolME861063--1.567916667333.2888383
OleoylethanolamideOleoyl-EAME861187--5.776336.97959
(2E)-1-(4-Hydroxyphenyl)-3-(5-methoxy-2,2-dimethyl...-ME860768--13.5375337.145125
SteroidO-sulfate-ME861229--14.2025337.14529
NP-008993-ME861169--2.764666667337.2392773
3-[(2H-1,3-benzodioxol-5-yl)methyl]-4-[(3,4-dimeth...-ME860903--6.385307692338.1404392
Talampanel-ME861232--1.214338.14879
(-)-PhaseollinPhaseollinME860756--0.901340.15509
Amide C22-ME860969--7.188571429340.3563414
trans-2-DodecenoylcarnitineCAR 12:1(2E)ME861245--2.537342.26274
(2E,4Z,12E)-1-(1-Piperidinyl)-2,4,12-octadecatrien...-ME860773--2.8174346.309072
MACAMIDE 1-ME861104--8.703259259346.3093537
NP-009373-ME861170--1.753888889349.1820133
ethyl dibunate-ME861041--13.621349.18235
2-Amino-3-hydroxy-15-methyl-1-hexadecanesulfonic a...-ME860868--1.209285714352.2520271
(7alpha,18S,20R)-12,20-Cycloormosanine-ME860792--0.7045355.282465
Terminaline-ME861235--1.3895355.31465
N-(2,6,10,14-Tetramethylpentadecanoyl)glycine-ME861130--14.55833333356.31477
CETABEN-ME860996--4.53725357.8015475
2,3-Bis(octanoyloxy)propanimidic acid-ME860853--1.827358.25742
(+)-calycanthidine-ME860759--2.6905361.239565
ethyl 2-{4-[(4-methoxyphenyl)methylene]-5-oxo-2-ph...-ME861040--1.846083333365.155865
N-Phenylcarbamoyl 3-amino-2-[4-(trifluoromethyl)pi...-ME861173--1.7055365.1560333
(2R)-2-{[(2R)-2-{[(2S,3R,4R,5S,6R)-3-Acetamido-2,5...-ME860780--5.869363636365.1560464
2-[(1Z)-1,2-Diamino-1-propen-1-yl]phenol-ME860862--0.831367.15433
N-Acetyl-L-leucineN-AcetylleucineME861145--0.88369.19822
(2E,4E,16Z)-1-(1-Piperidinyl)-2,4,16-icosatrien-1-...-ME860771--7.051578947374.3406126
(2Z,4E)-1-(1-Piperidinyl)-2,4-icosadien-1-one-ME860783--8.133952381384.3574157
nufenoxole-ME861178--4.111388.24018
HO-dPEG8-OH-ME861070--1.547388.25315
1,1'-(3,5-Pyridinediyl)di(1-decanone)-ME860816--1.911388.319945
(9alpha,11alpha,13E,15S)-5,6,9,11,15-Pentahydroxyp...-ME860793--3.048389.25466
N-HeptadecanoylglycineNA-Gly 17:0ME861155--9.902666667390.3299117
MeclizineMeclizineME861106--0.576391.19251
Glabrol-ME861054--0.168393.20804
1_2-Dihydrovomilenine-ME860825--1.761394.21141
ethyl 1-{[1-benzyl-3-(tert-butyl)-1H-pyrazol-5-yl]...-ME861039--1.155857143398.2401614
(2E)-hexadecenoylcarnitineCAR 16:1(2E)ME860770--3.928398.32489
KJ9800000-ME861088--0.858399.2495267
[FA]O-Palmitoyl-R-carnitineCAR 16:0ME860806--3.657400.34058
clocinizine-ME860998--14.906403.19231
Ethinylestradiol sulfonate-ME861038--14.335403.19259
Yellow OB-ME861262--1.43225403.6878975
Mammea A/AA-ME861105--4.636407.18735
NP-016596-ME861171--1.778333333409.1820273
(4S)-4-hydroxy-3,5,5-trimethyl-4-[(1E)-3-{[(2R,3R,...-ME860790--2.013409.18204
NP-002105-ME861168--0.9635410.4683013
SolasodineSolasodineME861222--1.278414.33576
Inspra-ME861079--1.3615415.21057
4,4'-diapolycopen-4-al-ME860923--1.318415.30116
spironolactoneSpironolactoneME861227--0.463417.20786
Forasartan-ME861047--0.946417.25252
AlfentanilAlfentanilME860965--1.348417.260125
N-lauroylglycineNA-Gly 12:0ME861160--13.47418.310495
Hexoprenaline-ME861066--1.333421.23351
C18-CarnitineCAR 18:0ME860991--3.321428.37182
(24R_24'R)-Fucosterolepoxide-ME860766--5.818333333429.37141
Istamycin C1-ME861087--0.488432.27938
BuclizineBuclizineME860989--0.77433.23991
Paspalinine-ME861195--4.407666667434.2333967
Notoamide E-ME861167--1.088434.2429
Methyl N-formylnorleucylleucylphenylalaninate-ME861117--1.0255434.265155
WLHTrp-Leu-HisME861261--1.633666667437.2344367
Korec-ME861089--2.324439.22057
N-PentacosanoylglycineNA-Gly 25:0ME861172--2.142833333440.4084075
6'-Apo-y-caroten-6'-al-ME860947--10.00966667443.3327433
D-Lysyl-L-valyl-D-valyl-L-allothreonine-ME861029--1.7725446.295215
OLEOYL TYROSINE-ME861186--4.069446.3247
N1-bicyclo[2.2.1]hept-2-yl-2-{4-[(dipropylamino)su...-ME861138--1.529142857453.2080286
axitirome-ME860982--1.446454.16769
(3E,5E,7E,9E,11E,13E,15E,17Z,19E)-5,9,14,18-Tetram...-ME860784--5.498666667457.3486333
Militarinone AMilitarinone AME861125--3.580076923460.2677815
fluocortolone pivalate-ME861045--1.381461.271315
2-Amino-3-hydroxyoctadecyl beta-D-glucopyranoside-ME860869--1.212464.35608
Z-Arg-Arg-ME861263--14.534465.25958
Methyl (2E,4E,6E,8E,10E,12E,14E,16E,18E,20E)-4,8,1...-ME861113--14.275473.34311
Panobinostat-ME861193--0.905333333473.9060633
Petromyzonol24-sulfate-ME861199--1.879475.27238
delcorineDelcorineME861014--0.597480.29767
2-(1-Methyl-2-piperidinyl)-1-phenylethanol-ME860848--0.932480.36068
O-behenoylcarnitineCAR 22:0ME861181--1.417484.43462
N-tert-Butyloxycarbonyl-deacetyl-leupeptin-ME861177--1.2255485.342775
1-{3-Hydroxy-3-[(2E,4E,6Z,8E,10E,12E,14Z,16E)-6,11...-ME860828--1.118489.338245
1-PalmitoylglycerophosphocholineLPC 16:0/0:0ME860844--4.1755496.337845
Iridodial glucoside tetraacetateIridodial glucoside tetraacetateME861081--13.866499.21977
4'-(2-{[3-(9H-Carbazol-4-yloxy)-2-hydroxypropyl]am...-ME860919--9.2828499.220798
N-Acetyl-O-demethylpuromycin-ME861146--1.488333333500.2239283
(2R)-1-{[(2-Aminoethoxy)(hydroxy)phosphoryl]oxy}-3...-ME860778--3.768500.27532
2-[(5Z,8Z,11Z)-icosatrienoyl]-sn-glycero-3-phospho...-ME860864--3.757504.30676
Eudesobovatol AEudesobovatol AME861043--0.92505.33136
2-[(11Z,14Z)-icosadienoyl]-sn-glycero-3-phosphoeth...-ME860861--1.49175506.3229675
TaurocholateTaurocholic acidME861233--1.633516.30035
4-[(2-Hydroxy-4-methylpentanoyl)amino]-7-isobutyl-...-ME860926--0.518520.30271
1-LinoleoylglycerophosphocholineLPC 18:2ME860837--4.11520.33826
1-OleoylglycerophosphocholineLPC 18:1/0:0ME860843--4.147522.35361
TRILAURYLAMINE-ME861247--9.539333333522.5958267
ValeroidineValeroidineME861259--4.139524.36911
lysophosphatidylethanolamine (22:6(4Z,7Z,10Z,13Z,1...-ME861103--3.759526.29093
(2R)-1-{[(2-Aminoethoxy)(hydroxy)phosphoryl]oxy}-3...-ME860777--3.763528.30663
LysoPC(20:5(5Z,8Z,11Z,14Z,17Z))LPC 20:5(5z,8z,11z,14z,17z)ME861102--3.912542.32206
11-(Hydroxymethyl)-4,4,6b,8a,11,12b,14b-heptamethy...-ME860829--13.504560.41268
1-(4Z,7Z,10Z,13Z,16Z,19Z-docosahexaenoyl)-sn-glyce...-ME860815--4.209568.33822
9,19-Cyclolanost-24-en-3-yl (2E)-3-(3,4-dihydroxyp...-ME860955--1.0334589.426834
Lasalocid A-ME861092--14.034591.385075
(2R)-3-(Phosphonooxy)-2-(tetradecanoyloxy)propyl (...-ME860781--1.48591.40554
(9cis,13'cis)-3,3'-Dihydroxy-7,8-didehydro-beta,be...-ME860794--0.104595.37882
spirilloxanthinSpirilloxanthinME861226--1.45597.46642
3-(7'-Hydroxy-4b',8',8',10a'-tetramethyl-5-oxotetr...-ME860900--2.934610.36928
Zizyphine A-ME861264--0.657612.3765867
5,5',6,6'-Tetrahydro-3',6'-epoxy-beta,beta-caroten...-ME860937--1.0945619.4377125
(1Z,3S,4Z,6S,7E,9S,15aR)-9-sec-Butyl-1,4,7-trihydr...-ME860764--13.3225626.39373
mesaconitineMesaconitineME861111--0.154632.30345
Melilotoside A2-ME861107--13.993635.41167
PM-Toxin APM-Toxin AME861209--1.631663.45107
(2R)-3-{[(2-Aminoethoxy)(hydroxy)phosphoryl]oxy}-2...-ME860782--3.131672.49344
(2R)-1-(Phosphonooxy)-3-[(9Z)-9-tetradecenoyloxy]-...-ME860776--2.6825684.397625
1-myristoyl-2-oleoyl-sn-glycero-3-phosphoethanolam...-ME860840--3.193690.50408
1-tetradecyl-2-[(9Z)-hexadecenoyl]-sn-glycero-3-ph...PC O-14:0/16:1(9Z)ME860847--3.535690.54053
IsopreneIsopreneME861084--1.9369.0702
(14E)-3-Ethyl-7-hydroxy-2,8,12,16-tetramethyl-5,13...-ME860762--0.603857143696.98665
1-(1Z-hexadecenyl)-2-oleoyl-sn-glycero-3-phosphoet...-ME860813--3.196702.54138
MFCD02259286-ME861122--4.1475703.572355
2_3-Bis-O-(geranylgeranyl)glycerol1-phosphate2,3-bis-O-(Geranylgeranyl)glycerol 1-phosphateME860866--3.231717.52302
Menaquinone 8MenadioneME861108--3.6095717.55944
1,26-Hexacosanediyl (2E,2'E)bis[3-(3,4-dihydroxyph...-ME860818--1.159723.4826
1-(1Z-hexadecenyl)-2-arachidonoyl-sn-glycero-3-pho...-ME860811--2.924724.52594
1-[(9Z)-octadecenoyl]-2-tetradecanoyl-sn-glycero-3...PC 14:0_18:1ME860822--3.9825732.551055
1-(1Z-hexadecenyl)-2-linoleoyl-sn-glycero-3-phosph...-ME860812--3.508732.55124
methylguanidineMethylguanidineME861119--9.31474.07169667
2-Methylpropanamine-ME860888--8.0657574.09676
DiethylamineDiethylamineME861024--8.63774.09688235
1-oleoyl-2-linoleyl-sn-glycero-3-phosphoethanolami...-ME860842--3.135742.53616
L-?,gamm-ME861091--3.544748.58212
1-hexadecanoyl-2-(4Z,7Z,10Z,13Z,16Z,19Z-docosahexa...PE 16:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)ME860836--3.06764.51987
2-[(2E,6E,10E,14E,18E,22E,26E,30E)-3,7,11,15,19,23...-ME860863--3.5765771.6061
N-[(13Z)-docosenoyl]sphing-4-enine-1-phosphocholin...SM 18:1;O2/22:1ME861135--3.916785.65034
(2R)-2-[(5Z,8Z,11Z,14Z,17Z)-5,8,11,14,17-Icosapent...-ME860779--3.542808.58362
PyrimidinePyrimidineME861215--7.03744444481.04504889
3-Methylbut-2-enal3-Methyl-2-butenalME860912--4.26585.06502
Methylcyclopentane-ME861118--0.55285.10112
CyclohexaneCyclohexaneME861005--1.59471428685.10127571
2-Methylpyrrolidine2-Methyl pyrrolidineME860889--1.05786.09695
PyridinePyridineME861214--11.513686.860524
PiperazinePiperazineME861207--7.75333333387.09198627
PiperidinePiperidineME861208--6.9625238188.00304607
2-Methylpropanaloxime2-Methylpropanal oximeME860887--10.49417588.0760585
Leucamine-ME861094--6.78786153888.11238954
DeanolDimethylethanolamineME861012--11.5865833390.09168917
1-Pyrroline1-PyrrolineME860846--3.867590.578595
1,2-Dihydropyrimidine-ME860819--6.55036633790.6781003
NPYR-ME861174--3.782592.06592
(R)-Acetoin3R-Hydroxybutan-2-oneME860800--1.91744444494.24885111
4-Aminopyridine4-AminopyridineME860927--8.81578947495.06062684
UQ3675000-ME861256--395.0607
4-Imidazolemethanol-ME860931--1.55311764796.93665294
1,4-Dimethylimidazole-ME860820--8.74348148197.66934037
Pent-1-ene-ME861197--3.70559523897.80487714
N-MethylpyridiniumN-MethylpyridiniumME861163--6.89736956598.13691022
2,4-DIMETHYL-2-IMIDAZOLINE-ME860858--5.70416666799.091905


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

SelectMetabolite Name RefMet Name/Standardized Name* WorkBench
Metabolite_ID		 PubChem
Compound_ID		 Kegg Id Retention
time/index		 m/z ratio
Selenium dioxide-ME861293--5.1415110.899125
Corn thiazoline-ME861275--4.542128.017365
2-Hydroxymethylserine-ME861269--2.7175134.046235
Pentyl hydrodisulfide-ME861292--3.377135.03026
ETHYL PROPYL DISULFIDE-ME861279--2.718135.03027
L-ThreonicacidThreonic acidME861285--3.0415135.030335
benzal chlorideBenzal chlorideME861273--9.803158.97781
D-GlutamateD-Glutamic acidME861277--5.6415164.0336
Imafen-ME861282--4.635534884186.1033156
meglumine-ME861287--4.5194.102895
N-Acetyl-L-histidineN-AcetylhistidineME861288--7.251196.07236
indanazoline-ME861283--4.678157895200.1190658
tolonidine-ME861295--7.199645161208.0644374
tramazoline-ME861296--4.502934783214.1348867
Cimaterol-ME861274--3.257218.12994
Antimony trichloride-ME861272--6.074142857224.8034386
Glucoheptonic AcidGlucoheptonic acidME861281--5.49225.06148
1D-chiro-inositol1D-chiro-InositolME861266--5.8075225.06158
D-(+)-Glucose-6C13GlucoseME861276--6.0135225.06397
1-Methoxypyrene-ME861267--5.525231.08158
DidanosineDidanosineME861278--4.460243243235.0837232
Parbendazole-ME861291--3.867246.12492
streptamine 5-phosphate-ME861294--8.6535257.05316
8-Hydroxy-3-(methylamino)-2,3,4,4a,9,9a-hexahydro-...-ME861271--3.82625260.14085
NTZdes-ME861290--1.1325264.008745
laurilsulfate-ME861284--0.881265.14822
N-Benzoyl-D-arginineN-Benzoyl-D-arginineME861289--1.039277.13128
4-Undecylbenzenesulfonic acid-ME861270--1.083666667311.1690767
2-Dodecylbenzenesulfonic acid2-Dodecylbenzenesulfonic acidME861268--1.07125325.1847125
Medrogestone-ME861286--1.0105339.23321
Glabrol-ME861280--5.694391.18966
1,4-Bis(2-ethylhexyl) sulfosuccinate2-MethylacetophenoneME861265--5.365421.22734


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