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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
15beta-Hydroxy-7alpha-mercapto-pregn-4-ene-3,20-di...-ME512525-C149224.189814049-
19-hydroxy-1,1,1-trifluoro-10(Z)-nonadecen-2-one-ME512516--30.76814487-
20-hydroxy-fusarin-ME512522--4.078511422-
2-Aminoheptanoate2-Aminoheptanoic acidME512594--12.68875249-
2-chlorohexadecanol2-ChlorohexadecanolME512505--28.86988393-
2'-Deoxyguanosine 5'-monophosphatedGMPME512444-C0036213.53730688-
2-hydroxy-3-[-3-oxoprop-1-en-1-yl]-2H-pyran-6-carb...-ME512620--17.16489995-
2-Hydroxypyridine2-HydroxypyridineME512574-C025027.643759378-
(2-Methylpropionyl)-dihydrolipoamide-ES-(2-Methylpropionyl)-dihydrolipoamide-EME512473-C0442412.07637715-
2-Phenylethyl beta-D-glucopyranoside-ME512487--5.42641962-
3',4',5'-Trimethoxycinnamyl alcohol acetate-ME512484--4.641164498-
3,5-Di-O-methyl-8-prenylafzelechin-4beta-ol-ME512521--4.691872741-
4alpha-Hydroxymethyl-4beta-methyl-5alpha-cholesta-...4alpha-Hydroxymethyl-4beta-methyl-5alpha-cholesta-8,24-dien-3beta-olME512539--3.814870185-
5-Acetamidovalerate5-Acetamidovaleric acidME512592-C0308711.67043046-
5-Aminolevulinic acid5-Amino-levulinic acidME512576-C0043013.96810506-
5'-Methylthioadenosine5'-MethylthioadenosineME512456-C001707.526450991-
6-(2-aminophenyl)-2-hydroxy-6-oxohexa-2,4-dienoate-ME512465--13.13722906-
6,7-Dimethyl-8-(1-D-ribityl)lumazine6,7-Dimethyl-8-(1-D-ribityl)lumazineME512476-C0433213.12974125-
8-Amino-7-oxononanoate8-Amino-7-oxononanoic acidME512614-C0109211.09083252-
9'-Carboxy-alpha-chromanol-ME512530--3.801500746-
9-mercaptodethiobiotin-ME512453--8.382324567-
AcetylcarnitineCAR 2:0ME512615-C0257110.15996249-
AdenineAdenineME512573-C0014713.54562458-
AdenosylhomocysteineS-AdenosylhomocysteineME512486-C0002113.01777451-
AdenosylmethionineS-AdenosylmethionineME512496-C0001916.31820448-
Ala/Ala/Ala/Pro-ME512490--9.827468444-
Ala/Ala/Asp/Glu/Trp-ME512534--6.521973782-
Ala/Asn/GlyAla-Asn-GlyME512613--13.53577281-
Ala/Asn/ProAla-Asn-ProME512469--12.50416158-
Ala/Asn/Pro/Ser-ME512497--4.448785093-
Ala/Asp/Gly/Pro-ME512488--15.69256131-
Ala/Asp/ProAla-Asp-ProME512467--14.7709606-
Ala/Glu/Glu/His-ME512514--15.66904549-
Ala/Gly/HisAla-Gly-HisME512459--11.91285347-
Ala/Gly/ProAla-Gly-ProME512448--12.61151846-
Ala/Leu/Asn/Pro-ME512509--8.922809695-
Ala/Lys/Met/Gly-ME512504--5.625676312-
Ala/Met/Ala/Pro-ME512503--4.324596485-
AlanineAlanineME512547-C00133_C0004114.37381823-
Alanyl-ProlineAla-ProME512597--11.28164298-
Ala/Val/Asn/Pro-ME512506--9.517147345-
Ala/Val/Asp/Ser-ME512499--14.9568167-
Ala/Val/Gly/Pro-ME512498--9.327347444-
aminononanoic acidAminononanoic acidME512618--7.543414445-
ArginineArginineME512586-C00792_C0006224.23542737-
Arg-OEtEthyl arginateME512602-C0140421.40655239-
Arg/Phe/Cys/Pro-ME512526--3.878935081-
Asn/Asn/Ser/Tyr-ME512518--14.3670296-
Asn/Leu/Pro/Pro-ME512519--10.26627374-
Asn/Leu/Pro/Ser-ME512510--14.59382196-
Asparaginyl-ArginineAsn-ArgME512454--16.2598931-
Asparaginyl-HistidineAsn-HisME512445--12.73454038-
Asparaginyl-ProlineAsn-ProME512611--13.45249655-
Aspartyl-HistidineAsp-HisME512443--14.99185277-
Aspartyl-L-prolineAsp-ProME512607--15.55732631-
Asp/Leu/Phe/His-ME512532--7.984826858-
Asp/Lys/Lys/Arg/Trp-ME512541--3.711858783-
Athanacalvic acid-ME512508--3.79827504-
beta-aspartyl-L-glutamic acid-ME512608--14.2830658-
CarnitineCarnitineME512595-C00318_C00487_C1502512.60366114-
CarnosineCarnosineME512609-C0038610.80535878-
CholineCholineME512570-C0011420.75596384-
CiticolineCDP-cholineME512491-C0030715.0117482-
CitrullineCitrullineME512581-C0032715.76172597-
(citryl)-N-(3-aminopropyl)-N-hydroxyacetamide-ME512457--6.567639428-
CMP-N-trimethyl-2-aminoethylphosphonateCMP-2-trimethylaminoethylphosphonateME512492-C0567413.84700269-
CreatineCreatineME512562-C0030014.3739601-
Cys/Gly/ProCys-Gly-ProME512449--9.771710526-
Cys/His/Ile/Ile/Lys-ME512536--4.296319299-
Cys/His/Pro/Gln/Thr-ME512527--17.21551676-
CytidineCytidineME512606-C02961_C0047511.52893682-
DethiobiotinDethiobiotinME512452-C019098.565270086-
DG(18:1/16:0/0:0)DG 18:1/16:0/0:0*ME512542--3.706949145-
DG(18:1/18:0/0:0)DG 18:1/18:0/0:0*ME512545-C001655.768090338-
Didodecyl thiobispropanoateDidodecyl thiobispropanoateME512540--5.316325405-
Diferuloylputrescine-ME512529--13.33320787-
diuronDiuronME512604--16.47343973-
DL-2-Aminooctanoic acid2-Aminocaprylic acidME512601--12.68929921-
Elaeokanine CElaeokanine CME512472-C1059227.9549565-
Etamiphylline-ME512478--5.931231582-
FA hydroxy(7:0)-ME512593--21.6640718-
FA oxo(19:0)-ME512517--3.739126999-
FluspirileneFluspirileneME512538--7.505992126-
gamma-Aminobutyric acidgamma-Aminobutyric acidME512563-C0033414.90918694-
gamma-Glutamyl-gamma-aminobutyraldehydegamma-Glutamyl-gamma-aminobutyraldehydeME512612-C1570011.40796145-
Glu/Ala/ProGlu-Ala-ProME512477--14.66882019-
Glu/Ala/ValGlu-Ala-ValME512479--10.83108783-
GlucosamineGlucosamineME512583-C0032913.31511956-
Glu/Glu/ProGlu-Glu-ProME512494--17.18821068-
Glu/Ile/Ile/Pro-ME512524--15.07384013-
Glu/Phe/Ala/Pro-ME512523--10.76835501-
GlutamineGlutamineME512566-C00819_C0006414.86609705-
GlutamylhistidineGlu-HisME512458--14.77773769-
GlutamylprolineGlu-ProME512446--15.06048595-
Gly/Arg/Trp/Trp/Trp-ME512550--4.097907043-
Glycerol 1-propanoate diacetate-ME512447--15.49371488-
Glycyl-HistidineGly-HisME512596--11.75051192-
GlycylprolineGly-ProME512590--12.49555868-
Gly/Ser/TyrGly-Ser-TyrME512485--8.620998182-
Gravolenic acid-ME512480--4.163823727-
GW 4064-ME512537-C1563513.65464381-
HeterodendrinHeterodendrinME512460-C0833212.40113161-
HistidineHistidineME512589-C06419_C0013514.45167125-
Histidine trimethylbetaineHercynineME512610-C0557511.61412273-
Histidinyl-HistidineHis-HisME512466--11.51921488-
Histidinyl-LeucineHis-LeuME512468-C050107.636418446-
Hydroxyprolyl-Tryptophan-ME512501--9.158714-
HypoxanthineHypoxanthineME512572-C002629.934761449-
Ile/Lys/ProIle-Lys-ProME512507--20.77471056-
Isothipendyl-ME512502--5.228019259-
LenticinLenticinME512482-C092138.328044744-
LeucineLeucineME512582-C16439_C00123_C0157010.49013836-
LysineLysineME512585-C00047_C0073922.83615858-
LysopineD-LysopineME512617-C040208.156039455-
Lysyl-HistidineLys-HisME512471--15.51042582-
Lysyl-ProlineLys-ProME512462--15.27390972-
MethionineMethionineME512568-C00073_C00855_C0173311.10788071-
Methyl 7-epi-12-hydroxyjasmonate glucoside-ME512515--8.179315748-
Muramic acidMuramic acidME512616-C0647014.13822016-
MycinoseMycinoseME512600-C119139.250878287-
N1-(alpha-D-ribosyl)-5,6-dimethyl-benzimidazolealpha-RibazoleME512483-C0577510.02521576-
N-(3-oxohexanoyl)-L-homoserine-ME512451--13.38762267-
N4-AcetylaminobutanalN4-AcetylaminobutanalME512578-C0593622.72628979-
N6-Acetyl-L-lysineN6-AcetyllysineME512599-C027277.871219817-
N6,N6,N6-Trimethyl-L-lysineN-6-TrimethyllysineME512619-C0379321.49880714-
N-AcetylputrescineN-AcetylputrescineME512584-C0271419.91139164-
NADNAD+ME512520-C0000313.69137279-
N-Benzoyl-D-arginineN-Benzoyl-D-arginineME512475-C0300114.27390374-
NiacinamideNiacinamideME512588-C001537.538208308-
OrnithineOrnithineME512569-C01602_C00515_C0007722.19805837-
PC(14:0/16:0)PC 14:0/16:0ME512544-C001573.899007028-
PC(14:0/18:1)PC 14:0/18:1ME512548-C001573.886950041-
PC(16:1/18:1)PC 16:1/18:1ME512552-C001575.145407024-
PC(16:1/22:4)PC 16:1/22:4*ME512557-C001573.825607045-
PC(16:1/22:5)PC 16:1/22:5*ME512556-C001573.824795639-
PC(18:1/18:1)PC 18:1/18:1ME512555-C001573.838517574-
PC(18:2/22:4)PC 18:2/22:4ME512560-C001573.81823685-
PC(29:0)PC 29:0ME512543--3.681262274-
PE(19:0)PE 19:0ME512531--4.686972187-
PE(20:0/15:0)PE 20:0/15:0*ME512549-C003505.344125473-
PE(20:0/18:1)PE 20:0/18:1*ME512554-C003503.895109652-
PE(37:1)PE 37:1ME512553--3.861946481-
Phe/Asp/HisPhe-Asp-HisME512513--10.92525982-
Phenylalanyl-HistidinePhe-HisME512493--7.536383279-
PhosphorylcholineCholine phosphateME512571-C0058814.20277796-
platensimycin-ME512528--15.4942166-
PramipexolePramipexoleME512450--9.380457795-
ProlineProlineME512575-C00148_C0076312.40605575-
Proline betaineProline betaineME512591-C1017210.02621481-
Prolyl-ArgininePro-ArgME512463--15.34778341-
Prolyl-SerinePro-SerME512598--13.07911741-
Prolyl-TryptophanPro-TrpME512500--8.564815026-
PS(12:0)PS 12:0ME512511--14.95754116-
quinonoid dihydro-(6H)-biopterin-ME512442--8.396258786-
(R) 2,3-Dihydroxy-3-methylvalerate-ME512579-C04104_C0600714.15366749-
RhamnoseRhamnoseME512580-C005076.519243849-
SerotinoseVicianoseME512461-C0162513.50165883-
SM(d18:1/24:1)SM 18:1;O2/24:1ME512559-C005504.226119326-
SM(d34:1)SM 34:1;O2ME512546--4.103428061-
SM(d42:3)SM 42:3;O2ME512558--4.130005298-
SphinganineSphinganineME512512-C008367.540328697-
StearoylcarnitineCAR 18:0ME512533--4.383358313-
SuccinyladenosineSuccinyladenosineME512481--14.58142368-
Sulforhodamine B-ME512535--13.52004994-
TemurinTemurinME512605--9.285264132-
Termitomycesphin ATermitomycesphin AME512551--4.233310512-
Tetraethylene glycolTetraethylene glycolME512603--6.486513044-
TG(16:1/18:0/18:1)TG 16:1/18:0/18:1ME512564-C004227.103553617-
TG(22:4/22:5/22:5)TG 22:4/22:5/22:5*ME512577--3.545241239-
Thr/Ala/ProThr-Ala-ProME512470--15.23961401-
Threoninyl-Arginine-ME512455--15.37492646-
Tributyl phosphateTributyl phosphateME512474-C144393.931735109-
triethylene glycol-ME512587--6.16848547-
Tromethamine2-Amino-2-methylol-propane-1,3-diolME512561-C0718216.20022388-
Val/Asp/HisVal-Asp-HisME512495--12.5964386-
Val/Asp/ProVal-Asp-ProME512489--12.75831817-
ValineValineME512567-C16436_C06417_C0018310.73896944-
Valyl-ArginineVal-ArgME512464--13.31457102-
xi-4,5-Dihydro-2,4(5)-dimethyl-1H-imidazole-ME512565--10.39957093-


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
1-18:2-2-18:2-monogalactosyldiacylglycerol-ME512824--4.110141219-
15(R)-hydroperoxy-EPE-ME512914--10.37151107-
1-Guanidino-1-deoxy-3-dehydro-scyllo-inositol1D-1-Guanidino-1-deoxy-3-dehydro-scyllo-inositolME512889-C0467313.63807807-
1-hexadecanoyl-sn-glycero-3-phospho-(1'-sn-glycero...-ME512750--3.799067541-
1-O-Cinnamoyl-beta-D-glucose1-O-trans-Cinnamoyl-beta-D-glucoseME512696-C041644.094270177-
1-(octadecenoyl)-sn-glycero-3-phospho-(1'-sn-glyce...-ME512759--3.785273676-
(1R*,3R*,3'S*)-1,2,3,4-Tetrahydro-1-(2-thio-3-pyrr...-ME512704--10.12883465-
1-StearoylglycerophosphoglycerolLPG 18:0ME512760--3.752824562-
2,3,4,5-Tetrahydropiperidine-2-carboxylate(S)-1-Piperideine-6-carboxylic acidME512881-C004507.498504878-
2,3,4,5-Tetrahydroxypentanoic acid-ME512846-C01685_C05411_C05412_C00502_C0087813.57712943-
2,3,4-trihydroxy-butanoic acidThreonic acidME512843-C0162012.40550356-
2-{[(3,5-dimethoxyphenyl)(hydroxy)methylidene]amin...-ME512646--4.762364036-
2-(4-sulfophenyl)decane-ME512708--3.70833696-
2,6-Dioxo-6-phenylhexanoate-ME512666-C0375022.74376328-
2,7-Anhydro-alpha-N-acetylneuraminic acidN-Acetyl-2,7-anhydro-alpha-neuraminic acidME512652-C0452112.88761227-
2-Aceto-2-hydroxybutanoic acid-ME512863-C00659_C060064.44804128-
2-Amino-2-deoxy-D-gluconateGlucosaminic acidME512871-C0375217.05240922-
2-amino-3-(4-hydroxy-3-methoxyphenyl)-2-methylprop...-ME512649--4.316652639-
2-C-methyl-D-erythritol-2,4-cyclodiphosphate-ME512847--15.97331934-
2-C-Methyl-D-erythritol 4-phosphate-ME512850-C1143414.0142984-
2-Dodecylbenzenesulfonic acid2-Dodecylbenzenesulfonic acidME512725--3.669482588-
2-Exo-hydroxy-1,8-cineole-ME512636-C03092_C203264.138307256-
2-Hydroxy-3-(phosphonatooxy)propanoate3-Phosphoglyceric acidME512794-C0019717.44285953-
2-hydroxy-3-(sulfooxy)butanedioic acid-ME512839--18.38929475-
2-Hydroxyethanesulfonate2-HydroxyethanesulfonateME512771-C0512310.99869834-
2-Hydroxyglutaric acid2-Hydroxyglutaric acidME512858-C03196_C01087_C0263015.53646727-
2-Hydroxyhexadecanoic acid2-Hydroxypalmitic acidME512714--3.795503611-
2-Hydroxystearic acid2-Hydroxystearic acidME512730-C03042_C030453.781738381-
2-Keto-glutaramic acid2-Keto-glutaramic acidME512855-C0094010.5419319-
2-Methylhexanoic acid-ME512893--4.466949949-
2-oxo-5-chloro-4-pentenoate-ME512853--6.513105335-
2-p-Tolyl-5,6,7,8-tetrahydrobenzo[d]imidazo[2,1-b]...-ME512703-C1157111.98480602-
3-Oxooctadecanoic acid-ME512728--3.792985501-
3-(Phosphoacetylamido)-L-alanine3-(Phosphoacetylamido)-L-alanineME512848-C0411115.69936023-
3'-UMP3'-UMPME512920-C0136814.94730797-
4-Nitrophenyl-3-ketovalidamine-ME512675-C0399514.44519905-
4-Oxoproline4-Oxo-prolineME512854-C0187714.5766138-
5,6-Dihydrouridine5,6-DihydrouridineME512923--13.83445076-
5'-Oxoinosine-ME512621-C0199322.75728064-
6,10,14,18-eicosatetraenoic acid-ME512738-C002193.770670171-
actinorhodinActinorhodinME512777--17.5305088-
Adlupone-ME512776--3.647289121-
ADPADPME512629-C0000815.23149377-
Ala/Ala/AlaAla-Ala-AlaME512931--10.15537987-
Ala/Ala/Ala/Asp-ME512681--13.62745141-
Ala/Ala/Asp/Tyr-ME512734--11.06015786-
Ala/Ala/SerAla-Ala-SerME512932--11.89487026-
Ala/Asp/GlyAla-Asp-GlyME512926--15.69579559-
Ala/Asp/Ile/Ile/Gln-ME512758--28.76810869-
Ala/Glu/Gln/Glu-ME512723--16.1912179-
Ala/Glu/Ile/Pro/Thr-ME512754--7.495892066-
Ala/Gly/SerAla-Gly-SerME512907--12.66315961-
Ala/Ile/Ile/Lys-ME512745--13.84567376-
Ala/Leu/Thr/Ala-ME512710--13.84234287-
Ala/Leu/Trp/Ser-ME512753--7.496690315-
Alanyl-AsparagineAla-AsnME512888--13.00915522-
Alanyl-SerineAla-SerME512866--13.11884402-
Aliarin 4'-methyl ether-ME512752--4.092684214-
alpha-Ketoisovaleric acidKetoisovaleric acidME512857-C001417.974928239-
Alvaradoic acid-ME512724-C07289_C06426_C08364_C08315_C064273.767172484-
ancymidolAncymidolME512694--4.478013893-
AntirhineAntirhineME512733-C090333.891547836-
arabinonateArabinonic acidME512860-C005454.233747786-
Arachidic acidArachidic acidME512740-C064253.73669563-
Armillatin-ME512785--3.743455815-
Asn/Gly/Pro/Pro-ME512707--10.85667805-
AsparagineAsparagineME512841-C00152_C0190515.35524133-
Asparaginyl-AsparagineAsn-AsnME512904--13.80240082-
Asparaginyl-Aspartic acidAsn-AspME512900--16.01802898-
Aspartic acidAspartic acidME512840-C00049_C0040214.77363688-
Asp/Phe/Asn/Gln/Tyr-ME512775--3.764538397-
Asp/Phe/Pro/His-ME512757--11.32902033-
Asp/Pro/SerAsp-Pro-SerME512670--12.89186225-
Asp/Val/Pro/Ser-ME512718--9.555646718-
avenolide-ME512679--3.920099308-
Bay-K-8644-ME512701-C1375814.07722992-
Benzoic acidBenzoic acidME512895-C00539_C001807.500033304-
beta-aspartyl-L-alanine-ME512884--16.36257619-
beta-aspartyl-L-aspartic acid-ME512899--17.64521045-
beta-aspartyl-L-leucine-ME512635--12.12286313-
beta-aspartyl-L-serine-ME512885--16.24507275-
beta-aspartyl-L-threonine-ME512903--15.6782868-
BotrydialBotrydialME512716-C096223.896688412-
Butyric acidButyric acidME512842-C002464.164221755-
Capric acidCapric acidME512643-C015714.015903639-
Caproic acidCaproic acidME512868-C015854.779058661-
Caprylic acidCaprylic acidME512912-C064234.228254368-
Carglumic acidCarglumic acidME512862-C0582915.44615505-
castasterone 22-O-sulfate-ME512769--29.00509414-
CDP-EthanolamineCDP-EthanolamineME512659-C0057016.26182797-
Cer(d18:0/22:1)Cer 18:0;O2/22:1ME512801--4.255391238-
Cer(d18:1/24:1)Cer 18:1;O2/24:1ME512813-C001954.056313137-
Cholesterol sulfateCholesterol sulfateME512765-C180433.610419998-
Citric acidCitric acidME512880-C0015818.90480444-
CMP-2-aminoethylphosphonateCMPciliatineME512658-C0567314.96787008-
Cyclic ADP-riboseCyclic ADP-riboseME512697-C1305013.67945262-
Cytidine monophosphateCMPME512924-C0005515.84886068-
DGCC(20:5/20:5)-ME512845--3.960964939-
DiacetylDiacetylME512836-C007414.080525448-
Dibenzo[a,l]pyrene-ME512756-C191748.166898905-
Dide-O-methylsimmondsin-ME512690--6.534682174-
Dihydro-4,4-dimethyl-2,3-Furandione2-DehydropantolactoneME512879-C011257.498728987-
dihydroxy-15-oxo-2,3,4,5-tetranor-prostan-1,20-dio...-ME512709--4.526969961-
DimethylthiophosphateDimethylthiophosphateME512772--29.27629542-
Docosapentaenoic acid (22n-6)Docosapentaenoic acid (22n-6)ME512748--3.759994761-
DopamineDopamineME512897-C037587.485000677-
Eicosatrienoic acidEicosatrienoic acidME512739-C03242_C165223.779763138-
epsilon-Tocopherol-ME512766-C141543.817014479-
Eupatocunin-ME512747-C094374.168416729-
FA methyl(12:0) dodecanoic acidLauric acidME512686--3.88179203-
FA methyl(14:0)-ME512700-C166653.811606521-
FA methyl(16:1)-ME512720--3.775392748-
FA methyl(8:0)-ME512934--4.090584056-
FA methyl (8:1)-ME512929--4.342817401-
FA oxo(16:0)-ME512712--3.835087685-
FA oxo(7:0)-ME512886--4.786377528-
FA oxo(9:0) oxo-nonanoic acidOxononanoic acidME512930--4.645039832-
FenamiphosFenamiphosME512682-C1865914.08283339-
Fenugreekine-ME512742--13.43322813-
gamma-Glutamylalaninegamma-GlutamylalanineME512902-C03740_C0373815.1658738-
gamma-Glutamylisoleucinegamma-GlutamylisoleucineME512657--10.76180366-
Gamma glutamyl ornithinegamma-GlutamylornithineME512638--16.40977114-
gamma-Glutamyl-S-(1-propenyl)cysteine sulfoxide-ME512653--10.78114911-
gamma-Glutamyltyrosinegamma-GlutamyltyrosineME512688--13.86387982-
Genipinic acid-ME512648--7.465571155-
Glu/Ala/GluGlu-Ala-GluME512680--16.61832629-
Glu/Ala/SerGlu-Ala-SerME512655--14.6247149-
Gluconic acidGluconic acidME512870-C00880_C15930_C00257_C00800_C00514_C0077013.94497097-
GluconolactoneGluconolactoneME512864-C0019812.17176664-
Glucosamine 6-phosphateGlucosamine 6-phosphateME512873-C0035216.49746989-
GlucoseGlucoseME512869-C00031_C0022117.05309696-
GlucuronateGlucuronic acidME512865-C0019114.64456316-
Glu/Met/MetGlu-Met-MetME512699--16.41101065-
Glu/Phe/Gln/Gln/Tyr-ME512778--3.785278962-
Glu/Ser/ValGlu-Ser-ValME512683--11.44128514-
Glutamic acidGlutamic acidME512859-C00217_C00025_C0030214.4294775-
Glutamylglutamic acidGlu-GluME512631-C0142513.91941571-
GlutamylthreonineGlu-ThrME512928--14.72347278-
GlutathioneGlutathioneME512634-C02471_C0005114.32197173-
glutathione sulfinate-ME512628--17.23421941-
Glycerol 3-phosphatesn-Glycero-3-phosphateME512796-C00093_C0062314.8160259-
Glycerophosphoglycerolsn-Glycero-3-phosphoglycerolME512876-C0327412.48370608-
Gly/Lys/Lys/Met/Arg-ME512763--14.9031436-
Gly/Lys/Pro/Pro/Val-ME512755--28.81230442-
Grayanotoxin IGrayanotoxin IME512749-C091034.078536527-
Guanosine 3'-phosphateGuanosine 3'-monophosphateME512627-C0619316.8669122-
Heptadecanoic acidMargaric acidME512721--3.761057237-
Hexose phosphateHexose 6-phosphateME512872-C02965_C0296217.45008797-
Hippuric acidHippuric acidME512936-C015866.405638604-
Hydantoin-5-propionic acidHydantoin-5-propionic acidME512878-C0556515.39379117-
HydroxyphenylacetylglycineHydroxyphenylacetylglycineME512623-C055964.278737761-
Hydroxyprolyl-Proline-ME512630--11.10571914-
Hypogeic acid7Z-Hexadecenoic acidME512711-C083623.798978258-
Ile/Asp/AspIle-Asp-AspME512692--16.16062103-
Ile/Lys/Gln/Tyr-ME512764--16.04703003-
Ile/Phe/Pro/Pro-ME512761--7.524265785-
Inosinic acidIMPME512626-C0013015.45682277-
Isoleucyl-AlanineIle-AlaME512933--7.494102732-
Isoleucyl-AsparagineIle-AsnME512637--9.052594744-
Isoleucyl-LysineIle-LysME512671--12.22350881-
IsoleucylprolineIle-ProME512656--7.503116675-
Isoleucyl-ThreonineIle-ThrME512641--7.496688575-
Isoleucyl-ValineIle-ValME512663--6.491291696-
IsopropylmaleateIsopropylmaleateME512882-C026314.812388434-
Isotridecenoic acid-ME512684--3.963634173-
kifunensine-ME512898--15.52685799-
Lactic acidLactic acidME512792-C00256_C001869.534811578-
Lysergic acidLysergic acidME512702-C075414.168360539-
Lys/Lys/Trp/Pro-ME512768--4.649250031-
Lys/Lys/Tyr/Tyr-ME512774--7.495890299-
Lysyl-AsparagineLys-AsnME512642--16.29943596-
Lysyl-GlycineLys-GlyME512913--16.77663863-
Lysyl-SerineLys-SerME512935--16.45772293-
Lysyl-ThreonineLys-ThrME512644--15.5615062-
Lysyl-ValineLys-ValME512665--13.39982551-
Malic acidMalic acidME512838-C00149_C03668_C0049716.4069094-
MannitolMannitolME512875-C0039213.78179118-
MelaninMelaninME512722-C0560616.00035352-
mercapto-2-propanol-ME512795--3.759168404-
meso-tartrate-ME512835--3.844862493-
Met/Cys/CysMet-Cys-CysME512661--18.66129825-
Methionyl-ValineMet-ValME512640--6.503395081-
methyl dihydroxy-11R,18-diacetoxy-prostadienoate-ME512762--4.050165873-
monomer-ME512938--13.2956819-
Monomethyl sulfateMethyl sulfateME512937-C027048.830568043-
Myristic acidMyristic acidME512693-C064243.829362333-
N2-gamma-Glutamylglutaminegamma-GlutamylglutamineME512633-C0528315.37844913-
N2-Succinyl-L-ornithineN2-SuccinylornithineME512927-C0341513.70178597-
N-(4-oxoglutaryl)-L-cysteinylglycine-ME512624--19.01398336-
N6-Acetyl-N6-hydroxy-L-lysineN(6)-Acetyl-N(6)-hydroxy-lysineME512909-C039559.404436881-
N-a-AcetylcitrullineN-AcetylcitrullineME512906-C1553212.17699826-
N-Acetylglucosamine 6-phosphateN-Acetyl-glucosamine 6-phosphateME512911-C0035714.86108939-
N-Acetylglutamic acidN-Acetylglutamic acidME512883-C0062414.14890805-
N-AcetylleucineN-AcetylleucineME512908-C027104.826656041-
N-Acetyl-L-methionineN-AcetylmethionineME512890-C027127.496711383-
N-AcetylornithineN-AcetylornithineME512891-C004379.045211364-
NADPNADP+ME512743-C0000616.90349116-
N-D-GlucosylarylamineN-D-GlucosylarylamineME512668-C031424.756587499-
nicotinate beta-D-ribonucleotideNicotinic acid mononucleotideME512650-C0118515.1454955-
Nicotinic acid adenine dinucleotideNicotinic acid adenine dinucleotideME512741-C0085714.13960796-
N-lactoyl-Tryptophan-ME512687--9.174531759-
N-LignoceroylsphingosineCer 18:1;O2/24:0ME512816-C001957.064873598-
N-PalmitoylsphingosineCer 18:1;O2/16:0ME512780-C001953.934913997-
N-Succinyl-L-glutamateN2-SuccinylglutamateME512921-C0593114.2861334-
N-UndecanoylglycineN-UndecanoylglycineME512685--4.374574634-
N-Undecylbenzenesulfonic acidN-Undecylbenzenesulfonic acidME512719--3.688584071-
octadecadienoic acidOctadecadienoic acidME512726-C04056_C01595_C084597.379368857-
Oleic acidOleic acidME512727-C01712_C00712_C08363_C083674.119358305-
O-PhosphoethanolaminePhosphoethanolamineME512773-C0034615.63425255-
Orotic acidOrotic acidME512851-C0029510.30263983-
OrotidineOrotidineME512625-C0110312.31499564-
Oxidized glutathioneOxidized glutathioneME512737-C0012717.50894743-
Oxoglutaric acid2-Oxoglutaric acidME512852-C0002616.1261993-
PA(16:0/18:1)PA 16:0/18:1ME512783-C00416_C138893.638507897-
PA(16:0/18:2)PA 16:0/18:2*ME512782-C004163.621876325-
PA(16:0/20:4)PA 16:0/20:4ME512786--3.630794699-
PA(16:0/22:2)PA 16:0/22:2*ME512805--3.703462692-
PA(18:0/18:2)PA 18:0/18:2ME512788-C004163.607023647-
Palmitic acidPalmitic acidME512713-C002493.781505806-
PA(P-42:4)PA P-42:4ME512825--4.249019302-
PC(29:1)PC 29:1ME512784--4.126225455-
PC(35:6)PC 35:6ME512817--3.928425424-
PE(14:0/22:4)PE 14:0/22:4ME512804-C003503.869540379-
PE(16:1/18:1)PE 16:1/18:1ME512789-C003504.854753595-
PE(18:0/16:1)PE 18:0/16:1ME512790-C003505.6933053-
PE(18:0/18:1)PE 18:0/18:1ME512807-C003504.203793027-
PE(18:1/18:1)PE 18:1/18:1ME512806-C003503.969095612-
PE(18:1/18:4)PE 18:1/18:4*ME512802-C003503.979406149-
PE(18:2/16:1)PE 18:2/16:1ME512787-C003503.922955269-
PE(18:3/P-18:1)-ME512803-C003504.05360264-
PE-NMe(11M3/11M5)-ME512829--3.61053598-
PE(O-18:1/20:4)PE O-18:1/20:4ME512818-C003504.026304372-
PG(16:0/22:5)PG 16:0/22:5*ME512821--3.554651736-
PG(18:0/18:1)PG 18:0/18:1ME512814--3.55473246-
PG(18:0/18:2)PG 18:0/18:2ME512811--3.558786827-
PG(18:0/22:5)PG 18:0/22:5*ME512830--3.549545636-
PG(18:2/22:4)PG 18:2/22:4*ME512828--3.520252603-
PG(34:1)PG 34:1ME512800--3.571579145-
PG(34:2)PG 34:2ME512798--3.574649115-
Phe/Lys/Met/Met/Trp-ME512781--3.816718126-
PhenolsulfonphthaleinPhenolsulfonphthaleinME512732-C126007.495892066-
PhenylacetaldehydePhenylacetaldehydeME512915-C006014.341946411-
Phenylacetic acidPhenylacetic acidME512916-C070865.946014358-
PhenylalaninePhenylalanineME512918-C00079_C022659.727456665-
Phenylalanyl-AspartatePhe-AspME512674--11.07144395-
Phenylalanyl-GlycinePhe-GlyME512647--7.494183282-
Phenylalanyl-ThreoninePhe-ThrME512676--7.495863851-
phosphinomethylisomalate-ME512861--14.82184737-
PhosphodimethylethanolamineN,N-Dimethylethanolamine phosphateME512834-C1348214.18575831-
Phosphoenolpyruvic acidPhosphoenolpyruvic acidME512791-C0007418.32372779-
PhytuberinPhytuberinME512715-C097093.896031886-
PI(14:0/22:1)PI 14:0/22:1*ME512827--3.627919328-
PI(18:1/20:4)PI 18:1/20:4ME512831-C006263.622824538-
PI(18:2/18:0)PI 18:2/18:0*ME512826-C006263.634554371-
PI(18:2/20:2)PI 18:2/20:2*ME512832-C006263.622090363-
PI(20:0/20:3)PI 20:0/20:3ME512833--10.32830889-
Pilosine-ME512705-C106106.516167886-
Pipercyclobutanamide A-ME512779--3.410888395-
Polypropylene glycol (m w 1,200-3,000)-ME512874--7.502027517-
Polystyrene sulfonate-ME512917--3.665507231-
Prehumulinic acid-ME512706--3.903250812-
Prolyl-HistidinePro-HisME512651--12.06610177-
Pro/Pro/Ser/Thr/Thr-ME512744--16.28085001-
PS(16:0/22:6)PS 16:0/22:6ME512819--3.624490343-
PS(16:1/18:0)PS 16:1/18:0*ME512799--3.632096488-
PS(18:1/18:0)PS 18:1/18:0*ME512812-C027373.626268434-
PS(18:1/18:1)PS 18:1/18:1ME512810--3.623839489-
PS(18:1/18:2)PS 18:1/18:2ME512809--3.631162275-
PS(18:1/20:3)PS 18:1/20:3ME512822-C027373.614678058-
PS(18:1/20:4)PS 18:1/20:4ME512820--3.621371045-
PS(18:2/16:0)PS 18:2/16:0*ME512797--3.638616649-
PS(18:3/18:1)PS 18:3/18:1*ME512808--3.631978058-
PS(O-16:0/22:1)PS O-16:0/22:1ME512823--4.034307901-
PS(O-36:1)PS O-36:1ME512815--3.893115797-
QuinalphosQuinalphosME512667-C110303.783158323-
Quinic acidQuinic acidME512887-C06746_C0029612.64323176-
Retinyl esterRetinyl esterME512736-C020753.839985835-
RetronecineRetronecineME512901-C06177_C103214.726792753-
Ribose 5-phosphateRibose 5-phosphateME512849-C0011715.7677358-
RishitinRishitinME512691-C097153.904675337-
ScytaloneScytaloneME512622-C007794.758152882-
SecobarbitalSecobarbitalME512669--4.669272448-
Sedoheptulose 7-phosphate(2-)Sedoheptulose 7-phosphateME512894-C0538216.37922454-
SerineSerineME512793-C00065_C00740_C0071615.61417967-
SerylhistidineSer-HisME512925--12.29994127-
SerylserineSer-SerME512867--13.13804825-
sn-glycero-3-phospho-N-(palmitoyl)ethanolamine-ME512746--4.685424974-
sodium dodecyl sulfate-ME512672--3.695449973-
Sorbitol-6-phosphatePseudouridineME512877-C00644_C02810_C0109615.16600792-
Sphinganine 1-phosphateSphinganine 1-phosphateME512731-C011207.527494678-
[ST (12:0) homo-seco-cholestatrien-tetrol-ME512767--15.66701581-
Stearic acidStearic acidME512729-C015303.74553404-
Suberic acidSuberic acidME512905-C082786.521604344-
Succinic acidSuccinic acidME512837-C0004215.33925874-
Sulfinpyrazone sulfide-ME512751--16.04047637-
SulfoacetateSulfoacetic acidME512770-C1417918.73350724-
ThreonineThreonineME512844-C05519_C12317_C00188_C0082014.44000218-
Threoninyl-Histidine-ME512632--11.3173728-
Threoninyl-Serine-ME512892--12.17372196-
Threoninyl-ThreonineThr-ThrME512910--11.13990703-
Threoninyl-Tyrosine-ME512677--10.01942111-
Thr/Thr/SerThr-Thr-SerME512662--15.28507685-
Thr/Trp/ProThr-Trp-ProME512735--8.175742321-
TrigonellineTrigonellineME512896-C010047.503915753-
TryptophanTryptophanME512645-C00806_C00078_C005253.765148539-
Tryptophyl-AsparagineTrp-AsnME512695--9.814027829-
Tryptophyl-GlycineTrp-GlyME512673--8.266756643-
TyrosineTyrosineME512919-C06420_C00082_C0153612.681607-
Undecanoic acidUndecylic acidME512664-C177153.996358678-
Ureidosuccinic acidN-Carbamoylaspartic acidME512856-C0043817.31735096-
Uridine 5'-diphosphateUDPME512922-C0001516.86960792-
Uridine diphosphate glucoseUDP-glucoseME512698-C00029_C0005216.69611843-
Uridine diphosphate-N-acetylglucosamineUDP-N-acetylglucosamineME512717-C00043_C01170_C0020315.26800002-
Valyl-HistidineVal-HisME512654--9.071126249-
Valyl-TyrosineVal-TyrME512689--7.501739943-
Valyl-ValineVal-ValME512639--7.493766615-
VomifoliolVomifoliolME512678-C04166_C017604.206626804-
xi-gamma-Undecalactonegamma-UndecalactoneME512660-C085714.067671745-


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