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Analysis: Reversed phase NEGATIVE ION MODE

SelectMetabolite Name RefMet Name/Standardized Name* WorkBench
Metabolite_ID		 PubChem
Compound_ID		 Kegg Id Retention
time/index		 m/z ratio
11,12-EET [(±)11,(12)-epoxy-5Z,8Z,14Z-eicosatrien...-ME781056----
11(S)-HETE [11S-hydroxy-5Z,8Z,12E,14Z-eicosatetrae...-ME781055----
12,13-EpOME [(±)12(13)epoxy-9Z-octadecenoic acid]-ME781057----
(±)12-HEPE [(±)-12-hydroxy-5Z,8Z,10E,14Z,17Z-eic...-ME781042----
12-Hete12-HETEME780881----
(±)12-HETE [(±)12-hydroxy-5Z,8Z,10E,14Z-eicosate...-ME781043----
13-HOTrE [13S-hydroxy-9Z,11E,15Z-octadecatrienoic ...-ME780893----
13-methylmyristic acidIsopentadecylic acidME781090----
13-oxoODE [13-oxo-9Z,11E-octadecadienoic acid]-ME781058----
14(S)-HDHA [14S-hydroxy-4Z,7Z,10Z,12E,16Z,19Z-doco...-ME781059----
(±)15-HEPE [(±)-15-hydroxy-5Z,8Z,11Z,13E,17Z-eic...-ME781044----
15-oxoETE [15-oxo-5Z,8Z,11Z,13E-eicosatetraenoic a...-ME781060----
(±)16-HETE [(±)16-hydroxy-5Z,8Z,11Z,14Z-eicosate...-ME781045----
17(18)-EpETE [(±)17,18-epoxy-5Z,8Z,11Z,14Z-eicosa...-ME781061----
(±)17-HDHA [(±)17-hydroxy-4Z,7Z,10Z,13Z,15E,19Z-...-ME781046----
(±)17-HETE [(±)17-hydroxy-5Z,8Z,11Z,14Z-eicosate...-ME781047----
(±)18-HEPE [(±)-18-hydroxy-5Z,8Z,11Z,14Z,16E-eic...-ME781048----
(±)18-HETE [(±)18-hydroxy-5Z,8Z,11Z,14Z-eicosate...-ME781049----
1-Naphthol1-NaphtholME781021----
1-Naphthylacetic Acid-ME780847----
1-Nonanal-ME781019----
1-TetradecanolTetradecanolME781031----
2,2-Dimethyl Succinic acid2,2-Dimethylsuccinic acidME780992----
2,4-Dihydroxybenzoic Acid-ME780937----
2,4-Di-tert-butylphenol2,4-Ditert-butylphenolME781040----
2-(4-Hydroxyphenyl)ethanolTyrosolME780966----
2,5-Dihydroxy Benzoic AcidGentisic acidME780786----
2,6-DihydroxypurineXanthineME780807----
2-Aminoethanesulfonic AcidTaurineME780848----
2-Aminoisobutyric AcidAminoisobutyric acidME780849----
2'-Deoxycytidine-5'-MonophosphatedCMPME780928----
2-Deoxyribose 1-PhosphateDeoxyribose 1-phosphateME780948----
2'-DeoxyuridineDeoxyuridineME780808----
2-(Formylamino)Benzoic AcidFormylanthranilic acidME780915----
2-Hydroxybutanoic Acid2-Hydroxybutyric acidME780850----
2-Hydroxyisocaproic Acid2-Hydroxyisocaproic acidME780851----
2-Methoxybenzoic Acid2-Methoxybenzoic acidME780787----
2-Methylbenzoic acid-ME780965----
2-Methylglutaric Acid2-Methylglutaric acidME780920----
2-Methylsuccinic Acid-ME780852----
2-(Methylthio)ethanol-ME781036----
2-nonanol2-NonanolME781020----
2-Nonanone2-NonanoneME781038----
2-n-Pentylfuran-ME781025----
2-Phenylbutyric acid2-Phenylbutyric acidME780964----
3,3',5'-TriiodothyronineLiothyronineME781099----
3-(3-Hydroxyphenyl)Propionate Acid-ME780909----
3,4-Dihydroxybenzeneacetic Acid3,4-Dihydroxybenzeneacetic acidME780789----
3-(4-Hydroxyphenyl)-Propionic AcidDesaminotyrosineME780788----
3-Aminosalicylic Acid3-Aminosalicylic acidME780910----
3-Hydroxy-3-Methyl Butyric Acid3-Hydroxyisovaleric acidME780853----
3-Hydroxyanthranilic Acid3-Hydroxyanthranilic acidME780790----
3-Hydroxybutyrate3-Hydroxybutyric acidME780854----
3-Hydroxypicolinic acid-ME780977----
3-Indolebutyric Acid3-Indolebutyric acidME780843----
3-Indolepropionic Acid3-Indolepropionic acidME780844----
(3-Methoxy-4-hydroxyphenyl)ethylene glycol sulfate3-Methoxy-4-hydroxyphenylethyleneglycol sulfateME780951----
3-Methoxy-4-Hydroxyphenylethyleneglycol Sulfate3-Methoxy-4-hydroxyphenylethyleneglycol sulfateME780934----
3-Methyladipic acid3-Methyladipic acidME780961----
3-Methylcrotonyl Glycine3-MethylcrotonylglycineME780855----
3-Methylglutaric acidMethylglutaric acidME780962----
3'-Sialyllactose3'-SialyllactoseME780959----
3-UreidopropionateUreidopropionic acidME781095----
(±)4-HDHA [(±)4-hydroxy-5E,7Z,10Z,13Z,16Z,19Z-do...-ME781050----
4-Hydroxybenzoic Acid4-Hydroxybenzoic acidME780791----
4-Hydroxyhippurate4-Hydroxyhippuric acidME781084----
4-Hydroxy-L-Glutamic Acid4-Hydroxy-L-glutamic acidME780762----
4-Methylcatechol4-MethylcatecholME780802----
4-OxopentanoateLevulinic acidME780856----
4-tert-Octylphenol-ME781032----
(±)5-HEPE [(±)-5-hydroxy-6E,8Z,11Z,14Z,17Z-eicos...-ME781051----
(±)5-HETE [(±)5-hydroxy-6E,8Z,11Z,14Z-eicosatetr...-ME781052----
5-HETrE [5S-hydroxy-6E,8Z,11Z-eicosatrienoic acid]-ME781063----
5-Hydroxyhexanoic Acid5-Hydroxycaproic acidME780922----
5-Hydroxymethyluracil5-HydroxymethyluracilME780809----
5-Methoxytryptophol5-MethoxytryptopholME780989----
5-oxoETE [5-oxo-6E,8Z,11Z,14Z-eicosatetraenoic aci...-ME781014----
5(S),15(S)-DiHETE [5S,15S-dihydroxy-6E,8Z,10Z,13E-...-ME781062----
6 keto-PGF1α [6-oxo-9α,11α,15S-trihydroxy-prost...-ME781064----
6β-hydroxytestosterone-ME780991----
(±)7-HDHA [(±)7-hydroxy-4Z,8E,10Z,13Z,16Z,19Z-do...-ME781053----
7-ketodeoxycholic acid7-Ketodeoxycholic acidME781089----
7-Methylguanosine7-MethylguanosineME780976----
8,15-Dihete8,15-DiHETEME780944----
8-Hydroxy-2-Deoxyguanosine-ME780923----
9,10-DiHOME [(±)9,10-dihydroxy-12Z-octadecenoic a...-ME780894----
9,10-EpOME [(±)9,10-epoxy-12Z-octadecenoic acid]-ME781065----
(±)9-HETE [(±)-9-hydroxy-5Z,7E,11Z,14Z-eicosatet...-ME781054----
9-HOTrE [9S-hydroxy-10E,12Z,15Z-octadecatrienoic a...-ME780943----
9-Hpode9S-HpODEME780892----
9-oxoODE [9-oxo-10E,12Z-octadecadienoic acid]-ME781066----
Adenosine 5'-MonophosphateAMPME780810----
Adipic AcidAdipic acidME780857----
ADP-riboseADP-riboseME780957----
AdrenochromeAdrenochromeME781015----
A-Ketoglutaric Acid2-Oxoglutaric acidME780826----
AllantoinAllantoinME780763----
AllysineAllysineME780941----
Aminomalonic AcidAminomalonic acidME780935----
Anthranilic acid2-Aminobenzoic acidME781004----
Arachidic Acid(C20:0)-ME780906----
Argininosuccinic acidArgininosuccinic acidME780947----
AspirinAspirinME781028----
Azelaic AcidAzelaic acidME780858----
Benzoic AcidBenzoic acidME780784----
BiopterinBiopterinME780913----
Butyl?Acetate-ME781023----
Caffeic AcidCaffeic acidME780859----
Carbamoyl phosphateCarbamoylphosphateME780994----
Chenodeoxycholic AcidChenodeoxycholic acidME780801----
CinnamoylglycineCinnamoylglycineME780968----
Cis-11,14,17-Eicosatrienoic Acid (C20:3)-ME780905----
Cis-11,14-Eicosadienoic Acid (C20:2)-ME780904----
Cis-3-Hexenylacetate-ME781035----
cis-4-Hydroxy-D-prolinecis-4-Hydroxy-D-prolineME780974----
cis-7-Hexadecenoic Acid-ME780973----
Citraconic AcidCitraconic acidME780932----
Citramalic AcidCitramalic acidME780827----
Citric AcidCitric acidME780822----
CreatineCreatineME780860----
Creatine PhosphatePhosphocreatineME780861----
CurcuminCurcuminME780911----
Cyclamic acidCyclamic acidME780982----
Cysteine glutathione disulfideS-Glutathionyl-cysteineME781087----
D-Alanyl-D-AlanineD-Alanyl-D-AlanineME780764----
D-Arabinose 5-phosphate-ME781002----
DeoxyadenosineDeoxyadenosineME780918----
Deoxycholic AcidDeoxycholic acidME780800----
deoxyguanosine 5'-monophosphate (dGMP)dGMPME780986----
Deoxyribose 5-PhosphateDeoxyribose 5-phosphateME780931----
D-FructoseFructoseME780832----
D-Fructose-1,6-Biphosphate-Trisodium Salt-ME780939----
D-Fructose 6-phosphateFructose 6-phosphateME780985----
D-Fructose 6-Phosphate-Disodium Salt-ME780930----
D-GalactoseGalactoseME780833----
D-GlucarateGlucaric acidME780953----
D-GlucopyranoseGlucoseME780929----
D-Glucoronic Acid-ME780838----
D-Glucosamine 6-PhosphateGlucosamine 6-phosphateME781093----
D-GlucoseGlucoseME780834----
D-Glucose 6-PhosphateGlucose 6-phosphateME780836----
D-GlucuronolactoneGlucuronolactoneME781094----
DHA [4Z,7Z,10Z,13Z,16Z,19Z-docosahexaenoic acid]-ME780903----
Dihydroxyacetone phosphateDihydroxyacetone phosphateME781013----
Dimethylmalonic acidDimethylmalonic acidME780993----
DL-3,4-Dihydroxyphenyl glycol3,4-DihydroxyphenylglycolME780960----
D-Lactic AcidD-Lactic acidME780862----
DL-Benzylsuccinic acid-ME780972----
Dl-Glyceraldehyde3-PhosphateGlyceraldehyde 3-phosphateME780936----
D-(+)-Malic acidD-Malic acidME780983----
D-Malic AcidD-Malic acidME780823----
D-MannoseMannoseME780835----
D-Mannose 6-phosphateMannose 6-phosphateME780979----
Dodecanoic Acid(C12:0)-ME780900----
D-SorbitolSorbitolME780829----
DulcitolGalactitolME780803----
D-Xylulose 5-phosphateXylulose 5-phosphateME781007----
Elaidic Acid (C18:1N9T)-ME780901----
EnterodiolEnterodiolME780804----
EPA [5Z,8Z,11Z,14Z,17Z-eicosapentaenoic acid]-ME780902----
EpinephrineEpinephrineME780819----
estrone 3-sulfateEstrone 3-sulfateME780956----
EthylmalonateEthylmalonic acidME780914----
Ethylsalicylate-ME781017----
Flavin Adenine DinucleotideFADME780811----
FormononetinFormononetinME781000----
Fumaric AcidFumaric acidME780942----
Galactaric acidGalactaric acidME780963----
Gamma-Glu-Leugamma-GlutamylleucineME781011----
GDP-L-fucoseGDP-L-fucoseME780975----
GlucotropaeolinGlucotropaeolinME780996----
Glutaric AcidGlutaric acidME780863----
Glycerol 3-phosphatesn-Glycero-3-phosphateME780981----
Glycochenodeoxycholic AcidGlycochenodeoxycholic acidME780799----
Glycocholic AcidGlycocholic acidME780798----
Guanidinoethyl SulfonateTaurocyamineME780864----
Hexadecanedioic acidHexadecanedioic acidME781008----
Hexadecanoic Acid (C16:0)Palmitic acidME780898----
Hexanoyl Glycine-ME780765----
Hydrocinnamic AcidHydrocinnamic acidME780865----
HydroquinoneHydroquinoneME781003----
Hydroxyphenyllactic acidHydroxyphenyllactic acidME780967----
Hyodeoxycholic AcidHyodeoxycholic acidME780797----
HypoxanthineHypoxanthineME780812----
Hypoxanthine-9-β-D-Arabinofuranoside-ME780926----
Indole-2-Carboxylic Acid-ME780845----
INDOLE-3-CARBINOLIndole-3-carbinolME780971----
Indole-3-Carboxaldehyde1H-Indole-3-carboxaldehydeME780846----
Indole-3-EthanolTryptophanolME781097----
IndoleacetaldehydeIndoleacetaldehydeME781006----
Indolelactic acidIndolelactic acidME780950----
Indoxylsulfuric acidIndoxyl sulfateME780997----
InosineInosineME780813----
Inosine 5'-MonophosphateIMPME780814----
Inosine diphosphate (IDP)IDPME780955----
InositolInositolME780805----
Kinic AcidQuinic acidME780866----
L-3-Phenyllactic AcidL-3-Phenyllactic acidME780867----
L-ArabitolL-ArabitolME780830----
L-ArginineArginineME780756----
L-Asparagine Anhydrous-ME780766----
L-Aspartic AcidAspartic acidME780757----
L-CarnosineCarnosineME780767----
L-Dihydroorotic Acid4,5-Dihydroorotic acidME780869----
L-Glutamic AcidGlutamic acidME780758----
Linoleic Acid (C18:2N6C)-ME780899----
LipoxinA4 [5S,6R,15S-trihydroxy-7E,9E,11Z,13E-eico...-ME780891----
L-IsoleucineIsoleucineME780759----
L-Lactic AcidLactic acidME780868----
L-LeucineLeucineME780760----
L-Malic AcidMalic acidME780824----
L-SerineSerineME780761----
LTB4 [5S,12R-dihydroxy-6Z,8E,10E,14Z-eicosatetraen...-ME781067----
LTD4 [5S-hydroxy-6R-(S-cysteinylglycinyl)-7E,9E,11...-ME781068----
LTE4 [5S-hydroxy-6R-(S-cysteinyl)-7E,9E,11Z,14Z-ei...-ME781069----
L-ThreonineThreonineME780755----
LXA5 [5S,6R,15S-trihydroxy-7E,9E,11Z,13E,17Z-eicos...-ME781070----
LXB4 [5S,14R,15S-trihydroxy-6E,8Z,10E,12E-eicosate...-ME781071----
Lysopa 16:0LPA 16:0ME780890----
Lysopa 18:0LPA 18:0ME780889----
Lysope 14:0LPE 14:0ME780888----
Lysope 16:0LPE 16:0ME780887----
Lysope 18:0LPE 18:0ME780886----
Lysope 18:1LPE 18:1ME780885----
Lysopg 18:1LPG 18:1ME780884----
Lysops 22:6LPS 22:6ME780883----
MalonicacidMalonic acidME780870----
MaltolMaltolME781018----
Mandelic AcidMandelic acidME780871----
MARMESIN-ME780969----
m-Coumaric acidtrans-m-Coumaric acidME780984----
Methanesulfonic acidMethanesulfonic acidME781037----
Methyl hexadecanoateMethyl hexadecanoateME781030----
Methylmalonic AcidMethylmalonic acidME780872----
MethylparabenMethylparabenME781041----
MethylstearateMethyl stearateME781016----
Mono-Methyl GlutarateMonomethyl glutaric acidME781098----
MyoinositolMyo-inositolME781083----
Myristic acidMyristic acidME781082----
N-(2-Methylbenzoyl)glycine-ME781026----
N-Acetylaspartylglutamic acidN-Acetyl-Asp-GluME780970----
N-acetyl-beta-alanineN-Acetyl-beta-alanineME781085----
N-Acetyl-D-GlucosamineN-AcetylglucosamineME780837----
N-Acetylglucosamine 1-PhosphateN-Acetylglucosamine 1-phosphateME780949----
N-Acetyl-L-Glutamic AcidN-Acetyl-mannosamineME780768----
N-Acetyl-L-LeucineN-AcetylleucineME780769----
N-Acetyl-L-TyrosineN-AcetyltyrosineME780770----
N-AcetylmethionineN-AcetylmethionineME780945----
N-Acetylneuraminic AcidN-Acetylneuraminic acidME780771----
N-acetylornithineN-AcetylornithineME781091----
N-AcetylphenylalanineN-AcetylphenylalanineME780782----
N-AcetylthreonineN-AcetylthreonineME780924----
N-AcetylvalineN-AcetylvalineME780980----
N-Amidino-L-AspartateGuanidinosuccinic acidME781096----
NeopterinNeopterinME780912----
Nicotinamide-N-OxideNicotinamide N-oxideME780840----
Nicotinic AcidNicotinic acidME780841----
N-Isovaleroylglycine-ME780772----
N-lactoyl-phenylalanineN-Lactoyl phenylalanineME780978----
N-Oleoyl Glycine-ME781001----
Nonadecylic acidNonadecylic acidME781092----
N-PhenylacetylglycinePhenylacetylglycineME780773----
O-Acetyl-L-serineO-AcetylserineME780995----
O-Phospho-L-SerinePhosphoserineME780774----
O-PhosphorylethanolaminePhosphoethanolamineME780882----
OrcinolOrcinolME781027----
OrotidineOrotidineME780927----
Oxaloacetic acidOxaloacetic acidME781022----
Oxoadipic AcidOxoadipic acidME780933----
PalmitaldehydePalmitaldehydeME780940----
Palmitoleic Acid (C16:1)-ME780897----
PantetheinePantetheineME780925----
PantothenatePantothenic acidME780839----
PantothenolPantothenolME780842----
P-Coumaric Acidcis-p-Coumaric acidME780783----
PDX [10(S),17(S)-dihydroxy-4Z,7Z,11E,13Z,15E,19Z-d...-ME781072----
PE(18:1(9Z)/0:0)LPE 18:1ME781012----
PGD1 [9α,15S-dihydroxy-11-oxo-prost-13E-en-1-oic ...-ME781073----
PGD2 [9α,15S-dihydroxy-11-oxo-prosta-5Z,13E-dien-...-ME780880----
PGE1 [9-oxo-11α,15S-dihydroxy-prost-13E-en-1-oic ...-ME781074----
PGE2 [9-oxo-11α,15S-dihydroxy-prosta-5Z,13E-dien-...-ME781075----
PGF1α [9α,11α,15S-trihydroxy-prost-13E-en-1-oic...-ME781076----
PGF2α [9α,11α,15S-trihydroxy-prosta-5Z,13E-dien...-ME781077----
PGJ2 [11-oxo-15S-hydroxy-prosta-5Z,9,13E-trien-1-o...-ME781078----
PGK1 [9,11-dioxo-15S-hydroxy-prost-13E-en-1-oic ac...-ME781079----
PHENYL-BETA-D-GLUCOPYRANOSIDEPhenylglucosideME781034----
Phenyllactate (Pla)Phenyllactic acidME780873----
PhenylpyruvatePhenylpyruvic acidME781100----
Phenylpyruvic AcidPhenylpyruvic acidME780874----
Phe-PhePhe-PheME780775----
P–Hydroxyphenyl Acetic Acid4-Hydroxyphenylacetic acidME780792----
Pimelic acidPimelic acidME780952----
PorphobilinogenPorphobilinogenME780998----
PropylparabenPropylparabenME781039----
Pyridoxal 5'-PhosphatePyridoxal 5'-phosphateME780820----
PyrophosphatePyrophosphateME781009----
Pyrrole-2-Carboxylic AcidPyrrole-2-carboxylic acidME780875----
Pyrroloquinoline Quinone-ME780821----
RibitolRibitolME780831----
Ribulose-5-PhosphateRibulose 5-phosphateME780946----
RICINOLEIC ACIDRicinoleic acidME781033----
RvD5 [7S,17S-dihydroxy-4Z,8E,10Z,13Z,15E,19Z-docos...-ME781080----
(S)-(-)-2-Hydroxyisocaproic AcidLeucinic acidME780908----
S-(5-Adenosy)-L-Homocysteine-ME780776----
Salicylic acidSalicylic acidME780990----
Salicyluric acidSalicyluric acidME780999----
SarcosineSarcosineME780777----
Scyllo inositolMyo-inositolME781086----
Shikimic AcidShikimic acidME780876----
Sorbic acidSorbic acidME781029----
S-Sulfo-L-CysteineCysteine-S-sulfateME780778----
Succinic AcidSuccinic acidME780825----
Succinic anhydrideSuccinic anhydrideME781005----
SulfacetamideSulfacetamideME781024----
Taurochenodesoxycholic AcidTaurochenodeoxycholic acidME780796----
Taurocholic AcidTaurocholic acidME780795----
Tauroursodeoxycholic AcidTauroursodeoxycholic acidME780794----
Terephthalic AcidTerephthalic acidME780785----
Tetradecanedioic acidTetradecanedioic acidME780987----
Thiamine Triphosphate-ME780921----
Tiglic acidTiglic acidME780988----
Trans-4-Hydroxy-L-Prolinetrans-4-HydroxyprolineME780779----
Trans,Trans-Muconic Acidtrans-trans-Muconic acidME780919----
Tridecanoic AcidTridecylic acidME780896----
TRP-GLUTrp-GluME781088----
TryptamineTryptamineME780828----
TXB2 [9α,11,15S-trihydroxythromba-5Z,13E-dien-1-o...-ME780879----
TxB3 [9α,11,15S-trihydroxythromba-5Z,13E,17Z-trie...-ME781081----
TyramineTyramineME780780----
UDP-glucoseUDP-glucoseME780958----
UracilUracilME780815----
Ureidoisobutyric AcidUreidoisobutyric acidME780916----
UridineUridineME780817----
Uridine 5’-DiphosphateUDPME780816----
Uridine 5'-Diphospho-N-AcetylgalactosamineUDP-N-acetylgalactosamineME780818----
Uridine 5-MonophosphateUMPME780917----
Ursodeoxycholic AcidUrsodeoxycholic acidME780793----
Vanillic AcidVanillic acidME780877----
VanillinVanillinME780806----
Vanillylmandelic acidVanillylmandelic acidME781010----
XanthosineXanthosineME780954----
Α-Hydroxyisobutyric AcidHydroxyisobutyric acidME780878----
Α-Linolenic Acid(C18:3N3)-ME780907----
Β-Hydroxypyruvic AcidHydroxypyruvic acidME780938----
Γ-Glutamate-Cysteine-ME780781----
γ-Linolenic Acid(C18:3N6)-ME780895----


Analysis: Reversed phase POSITIVE ION MODE

SelectMetabolite Name RefMet Name/Standardized Name* WorkBench
Metabolite_ID		 PubChem
Compound_ID		 Kegg Id Retention
time/index		 m/z ratio
10-Formyl-Thf-ME781296----
10-UNDECENOIC ACID10-Hendecenoic acidME781412----
11-Cis-Retinol11-cis-RetinolME781281----
1,2-Dichloroethane1,2-DichloroethaneME781361----
1,3-Diaminopropane1,3-DiaminopropaneME781223----
1,3-diisopropylbenzene-ME781395----
1,4-Dihydro-1-Methyl-4-Oxo-3-Pyridinecarboxamide-ME781159----
1-(4-Methoxyphenyl)-2-propanone-ME781341----
1,4-Xylenep-XyleneME781360----
15-deoxy-δ-12,14-PGJ2-ME781319----
1,5-DiaminopentaneCadaverineME781165----
1-Aminopropan-2-ol-ME781429----
1-DECANOL1-DecanolME781411----
1-HYDROXYANTHRAQUINONE1-HydroxyanthraquinoneME781418----
1-Methyladenine1-MethyladenineME781171----
1-Methylhistidine1-MethylhistidineME781172----
1-Methylxanthine1-MethylxanthineME781173----
1-PENTADECANOL-ME781426----
1-Phenylethanol1-PhenylethanolME781437----
2,2,2-Trichloroethanol-ME781370----
2-(3,4-dimethoxyphenyl)ethanamine-ME781343----
2,4,6-Trimethylphenol-ME781398----
2,4-Dichlorophenoxyacetic acid2,4-Dichlorophenoxyacetic acidME781393----
2,4-DihydroxypteridineLumazineME781457----
2,6-Diaminooimelic Acid-ME781224----
2,6-Dimethylpyrazine-ME781366----
2,6-Dimethylpyridine2,6-DimethylpyridineME781365----
2,6-Di-tert-butyl-4-methylphenol2,6-Di-tert-butyl-4-methylphenolME781378----
2-Acetyl-5-methylfuran2-Acetyl-5-methylfuranME781373----
2-Acetylfuran-ME781372----
2-Aminoadipic Acidalpha-Aminoadipic acidME781289----
2-Aminoethanesulfinic AcidHypotaurineME781225----
2'-Deoxyadenosine-5'-MonophosphatedAMPME781174----
2'-Deoxycytidine 5'-DiphosphatedCDPME781459----
2'-DeoxyinosineDeoxyinosineME781175----
2-(Dimethylamino)Guanosine-ME781269----
2-Hydroxy-6-Aminopurine-ME781176----
2-Hydroxycinnamic acidtrans-o-Coumaric acidME781307----
2-Methyl-5-nitroimidazole-1-ethanol-ME781403----
2-MethylbutyroylcarnitineCAR 4:0;2MeME781346----
2-Methylguanosine2-MethylguanosineME781302----
2-(Methylthio)benzothiazole-ME781422----
2-Pentadecanone-ME781383----
2-Pentyl-3-phenyl-2-propenal-ME781414----
2-Picolinic AcidPicolinic acidME781160----
2-Undecanone2-UndecanoneME781410----
3-(2-Hydroxyphenyl)propionic acid3-(2-Hydroxyphenyl)propanoic acidME781327----
3,3',5-Triiodo-L-ThyronineLiothyronineME781198----
(3,4-Dimethoxyphenyl) Acetic Acid-ME781157----
3,5-Dinitrosalicylic acid-ME781390----
3'-Aenylic Acid-ME781177----
3-Aminoisobutanoic Acid3-Aminoisobutanoic acidME781280----
3-Chloro-L-Tyrosine-ME781118----
3-Hydroxy-3-Methylpentane-1,5-Dioic Acid-ME781119----
3-Hydroxy-4,5-dimethyl-2(5H)-furanone-ME781386----
3-Hydroxy-DL-kynurenineHydroxykynurenineME781352----
3-Hydroxyhippuric Acid3-Hydroxyhippuric acidME781268----
3-Methyladenine3-MethyladenineME781463----
3-Methylsalicylic acid-ME781430----
3-(Methylthio)-1-propanol3-(Methylthio)-1-propanolME781406----
3-Methylthiophene3-MethylthiopheneME781391----
3-(Methylthio)propionaldehyde-ME781401----
3-N-Methyl-L-Histidine-ME781120----
4-(Aminomethyl)-5-(Hydroxymethyl)-2-Methylpyridin-...PyridoxamineME781263----
4-aminophenol4-AminophenolME781415----
4-Guanidinobutyric Acid4-Guanidinobutanoic acidME781226----
4-Hydroxybenzaldehyde4-HydroxybenzaldehydeME781261----
4-Hydroxyretinoic Acid-ME781275----
4-Oxoretinol4-OxoretinolME781215----
4-Pyridoxic Acid4-Pyridoxic acidME781161----
5,6-Dihydro-5-MethyluracilDihydrothymineME781178----
5-amino-1-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2...-ME781330----
5-Aminolevulinate5-Amino-levulinic acidME781301----
5-Aminovaleric Acid5-Aminopentanoic acidME781227----
5'-Deoxy-5'-(Methylthio) Adenosine5'-MethylthioadenosineME781277----
5-Hydroxyindole-3-Acetic Acid5-Hydroxyindoleacetic acidME781220----
5-Hydroxy-L-Tryptophan5-Hydroxy-tryptophanME781121----
5-Hydroxytryptophol5-HydroxytryptopholME781221----
(5-L-Glutamyl)-L-Amino Acid-ME781116----
5-Methylcytosine5-MethylcytosineME781179----
5-METHYLFURFURAL-ME781423----
5-MethyluridineRibothymidineME781180----
5-OxoprolinePyroglutamic acidME781122----
6-Aminocaproic Acid6-Aminocaproic acidME781228----
6-Hydroxynicotinic Acid6-Hydroxynicotinic acidME781162----
6-Methylmercaptopurine6-MethylthiopurineME781292----
6-Methylnicotinamide-ME781428----
6-Phosphogluconic Acid Trisodium Salt6-Phosphogluconic acidME781284----
7,8-dihydro-L-Biopterin-ME781322----
7-Methylguanine7-MethylguanineME781270----
7-Methyluric Acid7-Methyluric acidME781229----
7-Methylxanthine7-MethylxanthineME781181----
8-Hydroxyguanosine8-HydroxyguanosineME781182----
9-Fluorenone-ME781405----
Acetaminophen Glucuronidep-AcetamidophenylglucuronideME781264----
Acetylcholine ChlorideAcetylcholine chlorideME781163----
Acetyl-L-carnitineCAR 2:0ME781310----
AdenineAdenineME781183----
AdenosineAdenosineME781184----
alantolactoneAlantolactoneME781325----
All-Trans-13,14-Dihydroretinol-ME781216----
alpha-Cadinenealpha-CadineneME781332----
alpha-Terpinenealpha-TerpineneME781400----
AnatabineAnatabineME781344----
AndrosteroneAndrosteroneME781326----
Asp-PheAsp-PheME781123----
Asp-Phe methyl esterAspartameME781334----
Atrazine-ME781381----
Barbituric acidBarbituric acidME781392----
BenzophenoneBenzophenoneME781374----
Benzylcinnamate-ME781356----
Beta-Alaninebeta-AlanineME781124----
beta-Cubebenebeta-CubebeneME781349----
BetaineBetaineME781125----
BiotinBiotinME781170----
Bisphenol propane-ME781445----
Butyl 3-methylbutanoateButyl 3-methylbutanoateME781368----
ButylamineButylamineME781369----
caprate (10:0)Capric acidME781440----
Chlorogenic AcidChlorogenic acidME781230----
CholesterolCholesterolME781287----
CholineCholineME781164----
Choline chloride-ME781439----
Cinnamic Acidtrans-Cinnamic acidME781248----
cis-Citral-ME781387----
CreatinineCreatinineME781231----
CuminaldehydeCuminaldehydeME781342----
Cyclic Amp3',5' cyclic AMPME781266----
CyclohexanoneCyclohexanoneME781367----
Cys-GlyCys-GlyME781282----
CysteamineCysteamineME781117----
CytidineCytidineME781185----
Cytidine 5'-DiphosphocholineCDP-cholineME781452----
Cytidine-5-MonophosphateCMPME781186----
CytosineCytosineME781187----
D-2-Aminobutyric Acid2R-Aminobutyric acidME781232----
Deoxycorticosterone AcetateDeoxycorticosterone acetateME781467----
DeoxycytidineDeoxycytidineME781279----
DeoxyguanosineDeoxyguanosineME781188----
D-Glucono-1,5-LactoneGluconolactoneME781208----
D-Homocysteine-ME781101----
Dibutyl phthalateDibutyl phthalateME781432----
DiethanolamineDiethanolamineME781167----
Diethyl malonate-ME781408----
DIISOBUTYL PHTHALATEDiisobutyl phthalateME781431----
Dimethyl fumarate-ME781348----
Diphenyl ether-ME781354----
Dl-2-Aminooctanoic Acid2-Aminocaprylic acidME781233----
DL-CarnitineCarnitineME781316----
DL-LeucineLeucineME781402----
DL-o-Tyrosine-ME781308----
DL-StachydrineStachydrineME781314----
Dl-Threitol-ME781205----
D-MannitolMannitolME781206----
Dodecanedioic Aicd-ME781234----
D-Pipecolinic AcidPipecolic acidME781235----
(E)-2-Octen-1-ol-ME781380----
EpiandrosteroneEpiandrosteroneME781328----
ErgothioneineErgothioneineME781293----
EthylbenzeneEthylbenzeneME781353----
Ethyl butyrateEthyl butanoateME781409----
Ethyl dodecanoateEthyl dodecanoateME781359----
Ethyl?Heptanoate-ME781358----
ETHYL ISOBUTYRATE-ME781435----
FarnesolFarnesolME781397----
FURFURYL ALCOHOL2-FuranmethanolME781436----
Gamma-Caprolactonegamma-CaprolactoneME781427----
gamma-Muurolenegamma-MuuroleneME781333----
Gluconic AcidGluconic acidME781209----
Glutathione OxidizedGlutathioneME781126----
Glutathione Reducedform-ME781127----
Glycerophosphatidylcholine-ME781449----
GlycineGlycineME781102----
glycylphenylalanineGly-PheME781442----
Glycyrrhetinic acidGlycyrrhetinic acidME781404----
Guanidineacetic AcidGuanidoacetic acidME781236----
GuanineGuanineME781278----
GuanosineGuanosineME781189----
Guanosine 3',5'-Cyclic Monophosphate3',5' cyclic GMPME781190----
Guanosine MonophosphateGMPME781191----
HexadecanamidePalmitamideME781312----
HexadecanolCetyl alcoholME781465----
Hexyl?AcetateHexyl acetateME781396----
Hexyl butyrateHexyl butanoateME781385----
H-Homoarg-Oh-ME781273----
Hippuric AcidHippuric acidME781237----
HistamineHistamineME781128----
Homovanillic AcidHomovanillic acidME781238----
HordenineHordenineME781290----
IndoleIndoleME781298----
Indole-3-acetamide1H-Indole-3-acetamideME781318----
Indole-3-Acetic AcidIndoleacetic acidME781222----
Isoamyl butyrateIsoamyl butanoateME781357----
Isobutyl decanoate-ME781441----
Isobutyryl carnitineCAR 3:0;2MeME781331----
Isonicotinic acidIsonicotinic acidME781347----
IsoquinolineIsoquinolineME781299----
Jasmonic acidJasmonic acidME781311----
Kinurenine-ME781239----
Kynurenic AcidKynurenic acidME781240----
L-2-Aminobutyric Acid2S-Aminobutyric acidME781241----
L-AlanineAlanineME781107----
L-Alanyl-L-LysineAla-LysME781152----
L-AscorbateVitamin CME781211----
L-CarnitineCarnitineME781202----
L-CitrullineCitrullineME781108----
L-CystathionineCystathionineME781129----
L-CysteineCysteineME781130----
L-CystineCystineME781103----
L-DopaDOPAME781131----
L-Glutamic acidGlutamic acidME781443----
L-GlutamineGlutamineME781132----
L-HistidineHistidineME781109----
L-HomocitrullineHomocitrullineME781133----
L-HomocystineHomocystineME781134----
L-HomoserineHomoserineME781242----
Linalyl oxide-ME781421----
L-LysineLysineME781105----
L-MethionineMethionineME781110----
L-Methionine SulfoximineMethionine sulfoximineME781458----
L-NorleucineNorleucineME781315----
L-OrnithineOrnithineME781106----
L-PhenylalaninePhenylalanineME781111----
L-phenylalanyl-L-prolinePhe-ProME781350----
L-Pipecolic AcidPipecolic acidME781276----
L-ProlineProlineME781112----
L-Pyroglutamic AcidPyroglutamic acidME781113----
L-SaccharopineSaccharopineME781135----
L-SepiapterinSepiapterinME781272----
L-TheanineN(5)-Ethyl-glutamineME781136----
L-ThyroxineThyroxineME781199----
L-TryptophanTryptophanME781114----
L-TryptophanamideTryptophanamideME781461----
L-TyrosineTyrosineME781104----
L- tyrosine methyl esterMethyl tyrosinateME781362----
LumichromeLumichromeME781460----
L-ValineValineME781115----
Lysopc 14:0LPC 14:0ME781250----
Lysopc 15:0LPC 15:0ME781304----
Lysopc 16:0LPC 16:0ME781251----
Lysopc 16:1LPC 16:1ME781252----
Lysopc 17:0LPC 17:0ME781291----
Lysopc 18:0LPC 18:0ME781253----
Lysopc 18:1LPC 18:1ME781254----
Lysopc 18:2LPC 18:2ME781255----
Lysopc 18:3LPC 18:3ME781306----
Lysopc 20:1LPC 20:1ME781256----
Lysopc 20:2LPC 20:2ME781257----
LysoPE(16:1(9Z)/0:0)LPE 16:1(9Z)/0:0ME781351----
Lysope 18:2 (2N Isomer)-ME781305----
Maleic AcidMaleic acidME781243----
MaltoseMaltoseME781207----
m-Cresolm-CresolME781364----
MelatoninMelatoninME781203----
(-)-MenthoneMenthoneME781419----
MESITYL OXIDE-ME781420----
MetanephrineL-MetanephrineME781200----
Methionine SulfoxideMethionine sulfoxideME781137----
Methoxyindoleacetic AcidMethoxyindoleacetic acidME781294----
Methyl BenzoateMethyl benzoateME781156----
Methyl?beta-D-galactopyranosideMethyl beta-D-galactosideME781379----
Methyl cinnamateMethyl cinnamateME781355----
MethylcysteineMethylcysteineME781371----
Methyl dihydrojasmonate-ME781384----
MethylisobutyrateMethyl isobutyrateME781388----
Methyl Nicotinate-ME781258----
METHYL VALERATE-ME781424----
m-Xylenem-XyleneME781363----
N6-Acetyl-L-LysineN6-AcetyllysineME781139----
N6-Succinyl AdenosineSuccinyladenosineME781267----
N-Acetyl-5-HydroxytryptamineN-AcetylserotoninME781204----
N-AcetylaspartateN-Acetylaspartic acidME781140----
N-AcetylcysteineN-AcetylcysteineME781141----
N-AcetylglycineN-AcetylglycineME781265----
N-AcetylhistamineN-AcetylhistamineME781153----
N-Acetyl-L-alanineN-AcetylalanineME781317----
N-AcetylmannosamineN-Acetyl-mannosamineME781142----
N-AcetylputrescineN-AcetylputrescineME781143----
N-Alpha-Acetyl-L-AsparagineN-AcetylasparagineME781454----
N-Alpha-acetyllysineN(2)-AcetyllysineME781337----
NaphthaleneNaphthaleneME781434----
NaproxenNaproxenME781382----
N'-FormylkynurenineN-Formyl-L-kynurenineME781244----
N-Glycyl-L-LeucineGly-LeuME781144----
N-Hydroxy TryptamineN-Hydroxy-tryptamineME781303----
NicotinamideNiacinamideME781214----
Nicotinic Acid Adenine DinucleotideNicotinic acid adenine dinucleotideME781192----
Nicotinuric AcidNicotinuric acidME781217----
N-Methyl-a-aminoisobutyric acidN-Methyl-alpha-aminoisobutyric acidME781345----
N-methylalanineN-MethylalanineME781447----
N-METHYL (-)EPHEDRINE-ME781324----
N-Methyl-L-GlutamateN-Methyl-glutamic acidME781453----
N,N-DimethylglycineDimethylglycineME781138----
N-NitrosodiethylamineN-NitrosodiethylamineME781389----
NorepinephrineNorepinephrineME781201----
N-Propionylglycine-ME781145----
Nα-Acetyl-L-ArginineN-AcetylarginineME781146----
Nα-Acetyl-L-glutamineN-AcetylglutamineME781438----
OctadecanamideStearamideME781377----
OleamideOleamideME781329----
OleateOleic acidME781466----
Orotic AcidOrotic acidME781213----
O-Succinyl-L-Homoserineo-SuccinylhomoserineME781451----
o-Xyleneo-XyleneME781394----
PAF C-16-ME781321----
P-Aminobenzoatep-Aminobenzoic acidME781297----
P-Aminohippuric Acid4-Aminohippuric acidME781245----
P-Coumaraldehyde(E)-3-(4-Hydroxyphenyl)-2-propenalME781154----
Petroselinic Acid6-Octadecylenic acidME781464----
PhenethylaminePhenylethylamineME781168----
Phenylacetyl-L-Glutaminealpha-N-PhenylacetylglutamineME781147----
PhosphocholineCholine phosphateME781455----
Phosphoric AcidPhosphoric acidME781285----
Phthalic AcidPhthalic acidME781158----
Pipecolinic AcidPipecolic acidME781260----
PiperidinePiperidineME781300----
p-Menth-1-en-4-ol-ME781407----
p-Mentha-1,3,8-triene-ME781339----
proline betaineProline betaineME781444----
PROPYL HEXANOATEPropyl hexanoateME781425----
Protocatechuic AcidProtocatechuic acidME781169----
PterinePterinME781335----
PulegonePulegoneME781433----
Punicic Acid-ME781288----
PurinePurineME781193----
PutrescinePutrescineME781166----
PyrenePyreneME781417----
PyridoxalPyridoxalME781462----
PyridoxinePyridoxineME781212----
Pyridoxine 5'-PhosphatePyridoxine 5'-phosphateME781274----
Pyrimidinefreebase-ME781194----
PYRROLIDINEPyrrolidineME781416----
RiboflavinRiboflavinME781218----
Ritalinic acidRitalinic acidME781338----
S-Adenosyl-L-MethionineS-AdenosylmethionineME781148----
SebacateSebacic acidME781246----
SerotoninSerotoninME781149----
Sn-Glycero-3-Phosphocholinesn-Glycero-3-phosphocholineME781295----
SpermidineSpermidineME781340----
sphinganineSphinganineME781448----
Stearidonic AcidStearidonic acidME781336----
SubericacidSuberic acidME781247----
Syringic AcidSyringic acidME781155----
Taurocholic Acid Sodium Salt Hydrate-ME781262----
TerpinoleneTerpinoleneME781399----
ThiamineThiamineME781313----
Thiamine MonophosphateThiamine monophosphateME781456----
ThymidineThymidineME781195----
ThymineThymineME781196----
TranexamicAcidTranexamic acidME781375----
trans-3-Indoleacrylic acid-ME781309----
Trans-Citridic Acid-ME781283----
TriethylamineTriethylamineME781376----
Triethyl phosphateTriethyl phosphateME781320----
TrigonellineTrigonellineME781219----
Trimethylamine N-OxideTrimethylamine N-oxideME781150----
tryptophan betaineLenticinME781450----
Undecanal-ME781413----
UreaUreaME781151----
Uric AcidUric acidME781249----
Urocanic AcidUrocanic acidME781259----
Vitamin D3Vitamin D3ME781210----
Vitamin Ealpha-TocopherolME781446----
Xanthurenic AcidXanthurenic acidME781286----
Β-Nicotinamide MononucleotideNicotinamide ribotideME781197----
Β-PseudouridinePseudouridineME781271----
δ-Valerolactam2-PiperidinoneME781323----


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