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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
DeoxycytidineDeoxycytidineME796535-C0088110.00430611-
N6-Acetyl-N6-hydroxy-L-lysine_1N(6)-Acetyl-N(6)-hydroxy-lysineME796423-C0395510.06569625-
4-(Trimethylammonio)but-2-enoate_3(E)-4-(Trimethylammonio)but-2-enoateME796150-C0411410.11934062-
Brunfelsamidine_2BrunfelsamidineME796042-C1013310.17556555-
Ala-Met-Thr-Ser-ME796414--10.18005936-
2-Acetyl-1,5,6,7-tetrahydro-6-hydroxy-7-(hydroxyme...-ME796050--10.18914267-
N-Acetyl-L-histidineN-AcetylhistidineME796418-C0299710.19430725-
5-Hydroxy-L-tryptophan5-Hydroxy-tryptophanME796603-C0064310.23534351-
5-Methoxytryptophol5-MethoxytryptopholME796247--10.24339628-
Ile-Ala-ValIle-Ala-ValME796503--10.26138075-
VinylacetylglycineVinylacetylglycineME796084--10.26393619-
Leucyl-leucyl-norleucine-ME796034-C1132810.26958513-
L-LeucineLeucineME796430-C0012310.29233059-
7-(4-Hydroxy-3-methoxyphenyl)-5-methoxy-1-phenyl-3...-ME795977--10.33550494-
gamma-L-Glutamyl-D-alanine_3gamma-L-Glutamyl-D-alanineME796565-C0373810.35606848-
alpha-Ribazole_1alpha-RibazoleME796320-C0577510.37303463-
N6-(L-1,3-Dicarboxypropyl)-L-lysineSaccharopineME796484-C0044910.38158529-
3-Methyldioxyindole3-MethyldioxyindoleME796237-C0583410.38461828-
4-Oxoproline4-Oxo-prolineME796395-C0187710.49484938-
Asn-Asn-Ser-Tyr-ME796342--10.53073195-
Ile-Gly-ValIle-Gly-ValME795994--10.53083833-
Ile-Ile-Val_1Ile-Ile-ValME795931--10.67305377-
L-ValineValineME796347-C0018310.78002333-
alpha-Ribazolealpha-RibazoleME796333-C0577510.81004872-
Lys-Thr-Ser_1Lys-Thr-SerME796291--10.92689677-
L-Glutamate_1Glutamic acidME796390-C0002511.00935832-
Ala-Thr-Ala-Ser-ME796257--11.00985298-
N-Acetyl-L-citrullineN-AcetylcitrullineME796625-C1553211.0139723-
Phe-AspPhe-AspME796462--11.01937037-
Gamma-Glutamylglutamine_1gamma-GlutamylglutamineME796629-C0528311.03395194-
DopaquinoneDopaquinoneME796276-C0082211.04771812-
FADFADME796455-C0001611.07973576-
Choline sulfateCholine sulfateME796458-C0091911.08083278-
sinapoyltyramine-ME796545--11.08200247-
Heliettin_2-ME796045-C0926711.08518507-
D-Alanyl-D-alanineD-Alanyl-D-AlanineME796526-C0099311.09984997-
Tos-Arg-CH2Cl-ME796115-C0208711.11469817-
7-O-Acetylsalutaridinol7-O-AcetylsalutaridinolME796453-C0532211.11690919-
1-Isothiocyanato-8-(methylthio)octane_2-ME796089--11.12869945-
L-beta-aspartyl-L-leucine_3-ME796487--11.141381-
L-MethionineMethionineME796436-C0007311.14245174-
Koenigine-ME796513--11.14881298-
Ile-Gly-MetIle-Gly-MetME796633--11.16133993-
N-Acetyl-D-glucosamineN-AcetylglucosamineME796621-C0014011.18165099-
Asn-Asn-AsnAsn-Asn-AsnME796015--11.18486671-
UrocanateUrocanic acidME796363-C0078511.20288615-
SilandrinSilandrinME796534-C0860011.21236968-
Anthranilate2-Aminobenzoic acidME796202-C0010811.21638885-
Asn-ProAsn-ProME796398--11.26551612-
Ala-Phe-Ala-Gly-ME796232--11.27178636-
AnthocyaninAnthocyaninME796179-C1554911.28221119-
Potassium 2-(1'-ethoxy) ethoxypropanoate-ME796361--11.28875529-
LL-2,6-Diaminoheptanedioate_32,6-Diaminopimelic acidME796122-C0066611.3096315-
IndoleacrylicacidIndoleacrylic acidME796048--11.34713078-
1H-Imidazole-4-ethanamineHistamineME795955-C0038811.35102943-
8-Oxodeoxycoformycin8-OxodeoxycoformycinME795992-C0295711.36578264-
3,4-Dehydrothiomorpholine-3-carboxylate-ME796243-C0444511.40068563-
3-Oxo-carbofuran-ME796279--11.40124391-
Glu-Ile-ProGlu-Ile-ProME795942--11.40895246-
1(2H)-Isoquinolinone-ME796066-C0632411.42784936-
γ-thiomethyl glutamate_2-ME796598--11.45038987-
O-Acetylcarnitine_2CAR 2:0ME796114-C0257111.463116-
4-Imidazolone-5-propanoate4-Imidazolone-5-propionic acidME796493-C0368011.49989692-
4-Oxoproline_24-Oxo-prolineME796082-C0187711.51148665-
TriadimefonTriadimefonME796631-C1115611.52488342-
HercynineHercynineME796159-C0557511.55046119-
4-Hydroxy-4-methylglutamate(2S,4S)-4-Amino-2-hydroxy-2-methylpentanedioic acidME796511-C0603411.58382078-
Met-Ser-SerMet-Ser-SerME796194--11.59285132-
gamma-Glutamyl-beta-aminopropiononitrilegamma-Glutamyl-beta-aminopropiononitrileME796203-C0611411.59650495-
Ile-Ser-SerIle-Ser-SerME796178--11.60603597-
Ala-Ala-Ser-Ser-ME796248--11.61060588-
HexylamineHexylamineME795950-C0830611.61229329-
Ala-ProAla-ProME796420--11.63352607-
N-Formimino-L-glutamateFormiminoglutamic acidME796478-C0043911.63604687-
Thr-Ala-SerThr-Ala-SerME796100--11.63826369-
CytidineCytidineME796359-C0047511.64531853-
Asp-Val-Gly-Pro-ME796212--11.658922-
Dihydro-4-mercapto-3(2H)-furanone-ME796053--11.68875441-
Ala-Pro-Ser-Ser-ME796251--11.69350421-
L-FormylkynurenineN-Formyl-L-kynurenineME796480-C0270011.73997528-
FagomineFagomineME796485-C1014411.75112603-
CPPU-ME796281--11.76030237-
Arg-Cys-Pro-Pro-ME796014--11.78498268-
Glu-Asp-MetGlu-Asp-MetME796638--11.80438314-
N5-formyl-N5-hydroxy-L-ornithine_1-ME796624--11.80762566-
Thymine_2ThymineME796498-C0017811.8142883-
UridineUridineME796328-C0029911.85078705-
Ile-LysIle-LysME796365--11.86322406-
Val-ValVal-ValME796109--11.87134384-
L-gamma-glutamyl-L-isoleucinegamma-GlutamylisoleucineME796370--11.87759821-
Steganacin-ME796147-C1088611.8877808-
Acetyl-CoAAcetyl-CoAME796431-C0002411.90158454-
(6R)-6-(L-Erythro-1,2-Dihydroxypropyl)-5,6,7,8-tet...-ME796242-C0648611.90976509-
1-Isothiocyanato-8-(methylthio)octane-ME796120--11.91682283-
Glu-MetGlu-MetME796502--11.94362714-
gamma-Glutamyl-gamma-aminobutyraldehydegamma-Glutamyl-gamma-aminobutyraldehydeME796401-C1570011.97809388-
N4-Acetylaminobutanal_2N4-AcetylaminobutanalME796161-C0593611.98908495-
Propanoyl phosphatePropanoyl phosphateME796302-C0287612.01853284-
Nicotianamine(R,S,S)-NicotianamineME796618-C0532412.05329503-
CrocetinCrocetinME795993-C0858812.07076608-
Slaframine_2SlaframineME796086-C0618512.07308563-
Asn-Asn-Asn-Asp-ME796372--12.09570309-
Arg-Ser-Ser-Tyr-ME796156--12.09856599-
N-FormiminoglycineN-FormimidoylglycineME796025-C0271812.11113038-
L-Valine_1ValineME796432-C0018312.11221551-
L-beta-aspartyl-L-threonine-ME796380--12.11324384-
Ile-Val_2Ile-ValME796135--12.14265679-
N6-Acetyl-L-lysine_2N6-AcetyllysineME796151-C0272712.16696139-
GuanineGuanineME796387-C0024212.17023391-
L-isoleucyl-L-proline_4Ile-ProME796113--12.17449999-
Glu-Thr-ThrGlu-Thr-ThrME796108--12.1877898-
gamma-Glutamyl-S-(1-propenyl)cysteine sulfoxide-ME796452--12.19147584-
3'-amino-3'-deoxyadenosine-ME796063--12.21960743-
5S,12R-dihydroxy-6Z,8E,10E,14Z-eicosatetraenoic ac...LTB4ME795959--12.28340719-
N3-(4-methoxyfumaroyl)-L-2,3-diaminopropanoate-ME796116--12.34150733-
N-AcetylcystathionineN-AcetylcystathionineME796482--12.3691994-
Glu-Met-ThrGlu-Met-ThrME796162--12.3950074-
L-ProlineProlineME796405-C0014812.41297994-
3-Methylguanine_13-MethylguanineME796030-C0223012.41431241-
Ile-Ile-Pro_1Ile-Ile-ProME796020--12.45126663-
EctoineEctoineME796157-C0623112.55687334-
8-(3,3-Dimethylallyl)spatheliachromene-ME795905-C0900212.59108508-
Ile-Lys_2Ile-LysME796345--12.61380114-
(3R)-hydroxy-N-acetyl-(L)-arginine_2-ME796060--12.62732533-
MethacholineMethacholineME796196-C0747112.64234322-
Ala-Gly-ProAla-Gly-ProME796477--12.65683217-
AcetylcholineAcetylcholineME796187-C0199612.69617848-
L-CarnitineCarnitineME796555-C0048712.71872443-
GlycylprolineGly-ProME796546--12.72111982-
4-Amino-2-methyl-5-phosphomethylpyrimidine4-Amino-2-methyl-5-phosphomethylpyrimidineME796277-C0455612.72575945-
Calystegin B2Calystegin B2ME796417-C1085112.73538794-
N5-formyl-N5-hydroxy-L-ornithine-ME796413--12.74612966-
N6-Acetyl-N6-hydroxy-L-lysineN(6)-Acetyl-N(6)-hydroxy-lysineME796441-C0395512.76824077-
AlpinineAlpinineME796298-C0933112.76888606-
4-(Trimethylammonio)but-2-enoate(E)-4-(Trimethylammonio)but-2-enoateME796188-C0411412.84248057-
6-Butyryl-5,7-dihydroxy-8-(3',3'-dimethylallyl)-4-...-ME796471--12.87115931-
(-)-ArctigeninArctigeninME796172-C1054512.87425342-
L-TyrosineTyrosineME796483-C0008212.87866799-
Diisopropyl phosphate-ME796110-C0311312.87954223-
L-2-Aminoadipate_3alpha-Aminoadipic acidME796515-C0095612.88272614-
L-beta-aspartyl-L-glutamicacid_1-ME796628--12.89925872-
betaine aldehyde hydrateBetaine aldehyde hydrateME795894-C0734512.90631934-
Val-Arg_1Val-ArgME796024--12.93154067-
O-methylandrocymbine-ME796215-C1670912.94410948-
L-CladinoseL-CladinoseME796273-C1191712.94535225-
N-Acetylornithine_2N-AcetylornithineME796559-C0043712.94542402-
Castanospermine_2CastanospermineME796038-C0225612.95114-
Fagomine_3FagomineME796501-C1014412.99045456-
Ile-AlaIle-AlaME796510--13.02814135-
(+)-12a-Hydroxyerythynone12a-HydroxyerythynoneME796099--13.02981665-
N2-Succinyl-L-arginineN2-SuccinoylarginineME796479-C0329613.03156659-
L-alpha-glutamyl-L-hydroxyproline-ME796609--13.05963984-
Ala-Leu-Ala-Gly-ME796596--13.06164396-
LL-2,6-Diaminoheptanedioate2,6-Diaminopimelic acidME796186-C0066613.07023792-
Arg-Met-Val-His-ME796300--13.07503128-
L-Methionine S-oxideMethionine sulfoxideME796392-C0298913.08046908-
6,7-Dimethyl-8-(1-D-ribityl)lumazine6,7-Dimethyl-8-(1-D-ribityl)lumazineME796435-C0433213.11747218-
3-Ethylmalate-ME796272-C0198913.13691325-
Lys-ValLys-ValME796406--13.14177305-
L-beta-aspartyl-L-leucine-ME796404--13.20743514-
Glu-Ala-Val_1Glu-Ala-ValME796616--13.2239823-
Ala-Lys-Cys-His-ME796088--13.28311412-
Heliettin-ME796165-C0926713.2885611-
Ile-Ala-GlyIle-Ala-GlyME796180--13.30101408-
gamma-L-Glutamyl-L-cysteinyl-beta-alanineHomoglutathioneME796622-C0454413.30739914-
CoACoenzyme AME796176-C0001013.34228621-
4-Imidazolone-5-acetate-ME796235-C0513313.34232478-
OphthalmicacidOphthalmic acidME796588--13.38277535-
FluocinoloneFluocinoloneME796297-C0700613.42810025-
4-Aminobutanoategamma-Aminobutyric acidME796577-C0033413.44328434-
BrugineBrugineME796226-C1084913.45181141-
N-AcetylneuraminateN-Acetylneuraminic acidME796514-C0027013.45555736-
L-beta-aspartyl-L-alanine_3beta-AspartylalanineME796593--13.49895073-
AMPAMPME796553-C0002013.5327733-
Arginyl-Hydroxyproline-ME796283--13.54187547-
AMCCN-Acetyl-S-(n-methylcarbamoyl)cysteineME796606-C1149013.55468084-
NAD+NADME796548-C0000313.57035575-
GW 4064-ME796174-C1563513.58729444-
Nicotinamide_2NiacinamideME796131-C0015313.58871338-
Val-ArgVal-ArgME796044--13.63161534-
(3R)-hydroxy-N-acetyl-(L)-arginine_1-ME796023--13.63540499-
N2-(D-1-Carboxyethyl)-L-arginineD-OctopineME796207-C0413713.65069305-
Methyl 2-diazoacetamidohexonate_1Methyl 2-diazoacetamidohexonateME796240-C0122313.6555239-
Vinylacetylglycine_1VinylacetylglycineME796039--13.67631382-
ZAPAZAPAME796223-C1369513.6767529-
Ile-Gly-HisIle-Gly-HisME796288--13.67947096-
Lys-Val_1Lys-ValME796036--13.70207488-
Fagomine_2FagomineME796102-C1014413.72071947-
γ-thiomethyl glutamate_1-ME796620--13.74740697-
sn-glycero-3-Phosphocholinesn-Glycero-3-phosphocholineME796580-C0067013.75812724-
PhosphonoacetaldehydePhosphonoacetaldehydeME796211-C0316713.76498016-
Glu-Met-Asp-Pro-ME796246--13.7745932-
Ile-Ala-SerIle-Ala-SerME796516--13.77704-
5-Aminolevulinate_25-Amino-levulinic acidME796134-C0043013.79253944-
5,6-Dihydrothymine_2DihydrothymineME796124-C0090613.79648509-
1-deoxyxylonojirimycin-ME796541--13.81945006-
MannitolMannitolME796552-C0039213.81980611-
N2-Acetyl-L-aminoadipateN-Acetyl-2-aminoadipic acidME796558-C1298613.85533268-
Lys-Asn-GlyLys-Asn-GlyME796287--13.8953246-
6-Hydroxynicotinate6-Hydroxynicotinic acidME796139-C0102013.92050239-
Cys-GlyCys-GlyME796269-C0141913.95078607-
Aklanonic acid methyl ester-ME796607-C1242213.99743998-
(2E,11Z)-5-[5-(Methylthio)-4-penten-2-ynyl]-2-fura...-ME796097--14.03951404-
S-(3-oxo-3-carboxy-n-propyl)cysteineS-(3-Oxo-3-carboxy-n-propyl)cysteineME796448--14.07980186-
O-Succinyl-L-homoserineo-SuccinylhomoserineME796591-C0111814.12179274-
Glu-Glu_1Glu-GluME796630-C0142514.15274108-
dADPdADPME796599-C0020614.15631782-
3-Amino-2-piperidone3-Amino-2-piperidoneME796123--14.24896542-
Neodunol-ME795901--14.25881495-
N2-(D-1-Carboxyethyl)-L-lysine_2D-LysopineME796133-C0402014.26257222-
N-acetyl-(L)-arginineN-AcetylarginineME796500--14.26974165-
Phe-Val-TyrPhe-Val-TyrME796146--14.28121605-
L-ThreonineThreonineME796442-C0018814.30479401-
Ala-Leu-Gly-Gly-ME796619--14.41967217-
5,6-DihydrothymineDihydrothymineME796140-C0090614.42431166-
UK-47265-ME796085-C1170114.43898964-
Ala-Ile-Ile-Val-ME796153--14.43914665-
phenyl-1-thio-β-D-galactopyranoside-ME796078--14.44157359-
Asp-Met-Met-Met-ME796639--14.44523987-
rhizobactin-ME796296--14.44663946-
N6-Acetyl-L-lysineN6-AcetyllysineME796466-C0272714.45202026-
TauropineTauropineME796473-C0161614.53385311-
L-AlanineAlanineME796521-C0004114.59135505-
3,5-Dinitro-L-tyrosine-ME796173-C0322514.5969007-
L-ArogenateArogenic acidME796575-C0082614.61623404-
L-Phenylalanine_2PhenylalanineME796529-C0007914.62174826-
OctylamineOctylamineME795808-C0174014.65710341-
Choline phosphateCholine phosphateME796193-C0058814.65897157-
N-Formimino-L-glutamate_2Formiminoglutamic acidME796488-C0043914.67050449-
ErgothioneineErgothioneineME796447-C0557014.69932093-
Lys-Thr-SerLys-Thr-SerME796292--14.70866007-
L-Threonine_2ThreonineME796076-C0018814.72103685-
N-AcetylornithineN-AcetylornithineME796491-C0043714.72421359-
L-HistidineHistidineME796428-C0013514.72995212-
Toxyl angelateToxyl angelateME796201-C0898114.81225525-
5-6-Dihydrouridine5,6-DihydrouridineME796280--14.83331058-
L-GlutamineGlutamineME796444-C0006414.83686676-
(1R*,3R*,3'S*)-1,2,3,4-Tetrahydro-1-(2-thio-3-pyrr...-ME796551--14.84341359-
L-GlutamateGlutamic acidME796440-C0002514.84801498-
(+)-pinoresinolPinoresinolME796443-C0536614.8646154-
deacetylcolchicine-ME796080-C1671214.86519327-
Brunfelsamidine_1BrunfelsamidineME796055-C1013314.88767651-
Glu-Ala-ValGlu-Ala-ValME796512--14.97022098-
N-Gluconyl ethanolamine phosphateN-Gluconyl ethanolamine phosphateME796601--14.97250223-
L-Alanine_3AlanineME796144-C0004114.98232059-
N-Formyl-L-glutamate-ME796489-C0104515.01578388-
Ala-Ala-Ala-Asn-ME796507--15.05130928-
OrthophosphatePhosphoric acidME796250-C0000915.05819353-
sn-Glycerol 3-phosphatesn-Glycero-3-phosphateME796586-C0009315.06124814-
L-Histidine_5HistidineME795991-C0013515.12872053-
Gibberellin A20Gibberellin A20ME796190-C0203515.13521536-
ADPADPME796570-C0000815.18150218-
L-AsparagineAsparagineME796169-C0015215.19180618-
L-AspartateAspartic acidME796506-C0004915.2080433-
5'-Phosphoribosyl-N-formylglycinamideFGARME796422-C0437615.21202855-
UDP-N-acetyl-D-glucosamineUDP-N-acetylglucosamineME796547-C0004315.23069198-
[PG (18:0)] 1-octadecanoyl-sn-glycero-3-phospho-(1...-ME796446--15.23099497-
Calaxin-ME796635-C0935315.2349723-
gamma-L-Glutamyl-D-alaninegamma-L-Glutamyl-D-alanineME796530-C0373815.25021922-
dihydrothymidine_25,6-DihydrothymidineME796504--15.26994271-
N6-Acetyl-N6-hydroxy-L-lysine_2N(6)-Acetyl-N(6)-hydroxy-lysineME796130-C0395515.27928139-
UMPUMPME796519-C0010515.29430312-
Ala-Ala-Asn-Gly-ME796252--15.31257616-
L-beta-aspartyl-L-alanine_4beta-AspartylalanineME796537--15.33441354-
FA hydroxy(4:0) N-(3S-hydroxy-butanoyl)-homoserine...-ME796486-C1184215.40077285-
Ala-Asp-GlyAla-Asp-GlyME796496--15.45859443-
Gamma-Glutamylglutaminegamma-GlutamylglutamineME796481-C0528315.47689993-
Succinyl-CoASuccinyl-CoAME796604-C0009115.51018335-
5S,12R-dihydroxy-6Z,8E,10E,14Z-eicosatetraenoic ac...LTB4ME795948--15.53093007-
5'-Methylthioadenosine5'-MethylthioadenosineME796181-C0017015.58061401-
L-CitrullineCitrullineME796562-C0032715.64786853-
Aspartyl-L-proline_2Asp-ProME796149--15.65199016-
D-Ribitol 5-phosphateD-Ribitol 5-phosphateME796360-C0106815.67211356-
S-AcetyldihydrolipoamideS-AcetyldihydrolipoamideME796198-C0113615.68977292-
GuanidinoacetateGuanidoacetic acidME796126-C0058115.7490104-
3-Amino-2-piperidone_23-Amino-2-piperidoneME796090--15.75309163-
L-SerineSerineME796354-C0006515.75361788-
L-beta-aspartyl-L-threonine_2-ME796522--15.76168196-
S-Adenosyl-L-methionineS-AdenosylmethionineME796536-C0001915.79098063-
SorgolactoneSorgolactoneME796286-C0918615.8023607-
(S)-1-Pyrroline-5-carboxylate_11-Pyrroline-5-carboxylic acidME796026-C0391215.83103611-
a Cysteine adduct-ME796259--15.8359377-
Mevalonic acid-5P5-Phosphomevalonic acidME796357-C0110715.84291793-
4-Methyl-2-oxopentanoateKetoleucineME795988-C0023315.84954506-
CMPCMPME796524-C0005515.86919567-
PhenylpyruvatePhenylpyruvic acidME796509-C0016615.90950002-
L-Glutamate_2Glutamic acidME796098-C0002515.93079115-
UDP-N-acetylmuramateUDP-N-acetylmuramic acidME796531-C0105015.93487413-
1,6-anhydro-N-acetylmuramate-ME796525--15.94145003-
Thienodihydropyridinium-ME796532--15.95990248-
L-beta-aspartyl-L-serine-ME796600--15.99338764-
Glu-Ala-GluGlu-Ala-GluME796636--15.99723962-
O-Phospho-L-homoserineO-PhosphohomoserineME796572-C0110216.02946853-
L-Histidine_2HistidineME796043-C0013516.05474453-
Lys-SerLys-SerME796539--16.0707887-
Trp-Cys-HisTrp-Cys-HisME795882--16.09236664-
L-2-Aminoadipate_2alpha-Aminoadipic acidME796141-C0095616.09286886-
[Fv Tetramethoxy(4:0)] 4,6,2',4'-Tetramethoxychalc...-ME796199--16.12022351-
Ser-ArgSer-ArgME796175--16.12310055-
Lys-Ala-GlyLys-Ala-GlyME796282--16.14629774-
4-Hydroxycitrulline-ME796274--16.18550666-
L-CystineCystineME796410-C0049116.22916471-
dATPdATPME796595-C0013116.23139611-
CDP-glycerolCDP-glycerolME796561-C0051316.26323706-
D-GlucosamineGlucosamineME796227-C0032916.26583483-
D-Glucosamine 6-phosphateGlucosamine 6-phosphateME796627-C0035216.35489224-
L-beta-aspartyl-L-threonine_1-ME796225--16.37923246-
Glycerone phosphateDihydroxyacetone phosphateME796568-C0011116.39884742-
Lys-ProLys-ProME796241--16.5155958-
Cys-SerCys-SerME796542--16.56098957-
Glu-Arg_1Glu-ArgME795857--16.58675315-
N2-(D-1-Carboxyethyl)-L-lysine_3D-LysopineME796608-C0402016.58675602-
Epsilon-(gamma-Glutamyl)-lysine_1Epsilon-(gamma-Glutamyl)-lysineME796376--16.58676238-
L-beta-aspartyl-L-alanine_2beta-AspartylalanineME796590--16.59155658-
NADP+NADPME796550-C0000616.6501894-
N-(L-Arginino)succinateArgininosuccinic acidME796592-C0340616.67551088-
CDP-ribitolCDP-ribitolME796505-C0078916.80964808-
alpha,alpha'-Trehalose 6-phosphate-ME796383-C0068916.82229641-
GMPGMPME796528-C0014416.86333957-
L-thiazolidine-4-carboxylate-ME796244--16.86623186-
CystathionineCystathionineME796556-C0054216.86751234-
ATPATPME796573-C0000216.86866102-
2-Amino-2-deoxy-D-gluconateGlucosaminic acidME796238-C0375216.96023179-
Glu-GluGlu-GluME796192-C0142516.98829014-
L-Histidine_1HistidineME796008-C0013517.05987786-
4beta-(2-Aminoethylthio)epicatechin 3-gallate-ME796495--17.089852-
N-dimethylethanolamine-ME796004--17.13065006-
Trp-Cys-His_1Trp-Cys-HisME795809--17.14524438-
CDPCDPME796589-C0011217.23810146-
L-beta-aspartyl-L-glutamicacid_2-ME796564--17.24558675-
Asn-Met-Ser-His-ME796214--17.28125372-
NADPHNADPHME796617-C0000517.37761899-
N6-Acetyl-N6-hydroxy-L-lysine_3N(6)-Acetyl-N(6)-hydroxy-lysineME796613-C0395517.43234076-
Mefenacet-ME796538-C1452517.44908307-
3-Phospho-D-glycerate3-Phosphoglyceric acidME796557-C0019717.45343323-
Epigallocatechin 3-O-caffeate-ME796605--17.58879504-
Gammaglutamylornithinegamma-GlutamylornithineME796183--17.59658-
(3R)-hydroxy-N-acetyl-(L)-arginine-ME796262--17.61270616-
Glu-Glu_2Glu-GluME796476-C0142517.66882076-
Glu-ArgGlu-ArgME796239--17.71974996-
L-beta-aspartyl-L-glutamicacid-ME796490--17.81295686-
N-Succinyl-L-glutamateN2-SuccinylglutamateME796626-C0593117.97442314-
PhosphoenolpyruvatePhosphoenolpyruvic acidME796450-C0007418.07281479-
2-(Hydroxymethyl)-3-(acetamidomethylene)succinate-ME796191-C0469018.37615649-
GDPGDPME796571-C0003518.40402781-
Epigallocatechin 3-O-caffeate_2-ME796610--18.86221799-
LoxtidineLoxtidineME795890-C1180518.86891969-
Ximaosteroid D-ME795921--18.87377146-
UTPUTPME796563-C0007518.93240573-
2-Methylcholine2-MethylcholineME796079-C0222419.14012316-
Ala-Gly-Ser_2Ala-Gly-SerME796119--19.46307426-
5S,12R-dihydroxy-6Z,8E,10E,14Z-eicosatetraenoic ac...LTB4ME795900--19.67903876-
Putreanine-ME795919--19.84567894-
N-AcetylcadaverineN-AcetylcadaverineME796121--20.05801663-
S-Adenosyl-L-methionine_2S-AdenosylmethionineME796077-C0001920.19996657-
Ne,Ne dimethyllysineN(6),N(6)-Dimethyl-lysineME796137-C0554520.5131026-
trihomocitrate-ME795895-C1659820.55556118-
GTPGTPME796560-C0004420.56194458-
Ile-Gly-LysIle-Gly-LysME796632--20.59376682-
Lys-Val-GlyLys-Val-GlyME796285--20.6370713-
Arg-OEtEthyl arginateME796094-C0140420.67401686-
CholineCholineME796197-C0011420.73563334-
Cytosine_1CytosineME795999-C0038020.76994995-
7,8-Diaminononanoate7,8-Diaminononanoic acidME796136-C0103720.92711663-
Ile-Lys_1Ile-LysME796152--21.12447525-
Ile-Arg-GlyIle-Arg-GlyME796294--21.19688911-
(-)-Laudanidine-ME796160-C0955521.19880876-
N5-formyl-N5-hydroxy-L-ornithine_3-ME796206--21.20060885-
L-OrnithineOrnithineME796518-C0007721.20081123-
Val-Gly-ArgVal-Gly-ArgME796290--21.27735528-
ThiaminThiamineME796189-C0037821.33486411-
4-(Methylnitrosamino)-1-(3-pyridyl)-1-butanol4-(Methylnitrosamino)-1-(3-pyridyl)-1-butanolME795952--21.41114997-
N-Acetyl-2,3-dihydro-1H-pyrrole-ME795947--21.70871107-
Ile-Ile-LysIle-Ile-LysME796295--21.91351128-
MurrayanineMurrayanineME796093-C0922821.92595674-
Ile-Phe-Thr-Pro-ME796299--21.93198893-
LL-2,6-Diaminoheptanedioate_22,6-Diaminopimelic acidME796125-C0066621.94411742-
5'-Oxoinosine-ME796467-C0199321.94651866-
L-LysineLysineME796492-C0004721.94851671-
(3R)-hydroxy-N-acetyl-(L)-arginine_3-ME796261--22.35102884-
L-ArginineArginineME796449-C0006223.22141669-
N-RibosylnicotinamideNicotinamide ribosideME796263-C0315024.34034778-
2-trans,4-cis-Decadienoylcarnitine-ME795941--27.07844442-
3-Methoxy-4-hydroxyphenylglycolaldehyde3-Methoxy-4-hydroxyphenylglycolaldehydeME795909-C0558327.08396118-
Bendiocarb_2BendiocarbME795934-C1443327.08993883-
Hypoxanthine_1HypoxanthineME795960-C0026227.09803894-
DehydrojuvabioneDehydrojuvabioneME795996-C0965727.09844428-
[FA oxo(14:0)] 3-oxo-tetradecanoic acid3-Oxotetradecanoic acidME795920--27.11377218-
4-8dimethylnonanoylcarnitine-ME795986--27.12993334-
vernolate_1-ME795898--27.14437215-
FA oxo(15:0)-ME795896--27.14897237-
N-NitrosodiethylamineN-NitrosodiethylamineME795930-C1442227.15242208-
4-Aminobutanal_14-AminobutyraldehydeME795935-C0055527.17365546-
BenzoateBenzoic acidME796337-C0018027.18701653-
FA hydroxy(12:0) dodecanoic acidLauric acidME795980--27.22692769-
Rhubafuran-ME795951--27.23193895-
FA (12:1) dodecenoic acid_1Dodecenoic acidME795923--27.23361667-
1-OctanalCaprylaldehydeME795902-C0154527.2372111-
ApioleApioleME795940-C1042927.23773322-
1,3,8-NaphthalenertriolNaphthalene-1,3,8-triolME795938-C0117327.24496663-
3-Phenyl-4-pentenal-ME795979--27.25425001-
DeoxynupharidineDeoxynupharidineME795914-C0994527.25466661-
LycoflexineLycoflexineME795944-C0987927.25474447-
[FA amino(14:0)] 2-amino-tetradecanoic acid_12-Aminotetradecanoic acidME795922--27.25939996-
2-Ethylhexyl phthalateMonoethylhexyl phthalic acidME795925-C0334327.26976115-
Pentadecanoyl-EA_1Pentadecanoyl-EAME795906--27.27591654-
[SP hydroxy,hydroxy,methyl(10:2/2:0)] 6R-(8-hydrox...-ME795954--27.28905558-
[FA (16:4)] hexadecatetraenoic acidHexadecatetraenoic acidME795966--27.29144999-
Selagine-ME795884-C0989727.30937778-
DarlingineDarlingineME795964-C1085727.33139465-
BaptifolineBaptifolineME795903-C1075527.34057766-
Hydroxypropionylcarnitine_1CAR 3:0;OHME795973--27.43418898-
(3R,7R)-1,3,7-Octanetriol1,3,7-OctanetriolME795908--27.46672777-
alpha-Butyl-omega-hydroxypoly(oxyethylene) poly(ox...-ME795962--27.46675571-
(+/-)-5-[(tert-Butylamino)-2'-hydroxypropoxy]-1,2,...-ME796341-C0487527.47278883-
N,N-Dimethylaniline N-oxide-ME795893-C0118327.53116123-
(+-)-CarnegineCarnegineME795971-C0937527.53775553-
DodecanamideDodecanamideME795985-C1383127.60521681-
2-chlorohexadecanol2-ChlorohexadecanolME795965--27.77214457-
CreatinineCreatinineME795904-C0079127.87021681-
EthoxyquinEthoxyquinME795928-C0747527.91574999-
N-(2-hydroxyhexadecanoyl)-phytosphingosine_1-ME795798--28.03502096-
[PR] iso-Debromo-laurinterol-ME795953--28.04565538-
1-Methyl-4-phenyl-1,2,3,6-tetrahydropyridine1-Methyl-4-phenyl-1,2,3,6-tetrahydropyridineME795970-C0459928.12626126-
6-Hydroxypseudooxynicotine_36-HydroxypseudooxynicotineME795933-C0129728.21540548-
L-Histidine_4HistidineME795927-C0013528.26387777-
2-Naphthylamine2-AminonaphthaleneME795886-C0222728.26844442-
1H-Imidazole-4-ethanamine_1HistamineME795899-C0038828.28267225-
PG(18:4(6Z,9Z,12Z,15Z)/18:4(6Z,9Z,12Z,15Z))PG 18:4(6Z,9Z,12Z,15Z)/18:4(6Z,9Z,12Z,15Z)ME795869--28.29736681-
AnaphelineAnaphelineME795929-C0618328.48854445-
2-Methylthiobenzothiazole-ME795967-C1091028.56343879-
Lycoflexine_1LycoflexineME795926-C0987928.69323324-
thiabendazoleThiabendazoleME795918-D0037228.93496114-
2-(3-Phenylpropyl)pyridine-ME795943--29.3318944-
Lycoflexine_2LycoflexineME795937-C0987929.88344998-
3-HydroxyhexadecadienoylcarnitineCAR 16:2;OHME795822--3.066886347-
DG(P-32:1)DG P-32:1ME795907-C138643.087180244-
PS(33:0)PS 33:0ME796002--3.093380869-
2-Hydroxy-24-keto-octacosanolide-ME795849--3.174156992-
PG (25:0)PG 25:0ME795892--3.185124065-
PA(O-36:5)PA O-36:5ME795833--3.214445081-
1-4-beta-D-Glucan1,4-beta-D-GlucanME795814-C007603.220051236-
5-6-DihydroxyprostaglandinF1a-ME795975--3.229019436-
Furohyperforin-ME795858--3.238631496-
N-(2-hydroxypentadecanoyl)-phytosphingosineCer 18:0;O3/15:0;OME795824--3.2482068-
CholesterolglucuronideCholesterol glucuronideME795830-C030333.254354331-
N-(2-hydroxyhexadecanoyl)-phytosphingosine-ME795841--3.254408029-
1-(8-[3]-ladderane-octanoyl)-2-(8-[3]-ladderane-oc...-ME795825--3.266769758-
soyasapogenol B-3-O-β-glucuronide-ME795847--3.272419164-
PG (14:0)PG 14:0ME795823--3.272893835-
Collettiside I-ME795842--3.274019764-
PS(35:0)PS 35:0ME795854--3.274629645-
Omphalotin A-ME795839--3.27466361-
PS(O-33:1)PS O-33:1ME795819--3.29772904-
Propylene glycol mono- and diesters of fats and fa...-ME795794--3.298024428-
PC(30:1)PC 30:1ME795877--3.298888294-
NigericinNigericinME795844-C116093.30167468-
N-(2-hydroxyoctadecanoyl)-phytosphingosine-ME795843--3.303927179-
N-Undecanoylglycine_1NA-Gly 11:0ME795799--3.308278583-
5beta-Pregnane-3alpha,17alpha,20alpha-triol-ME795939-C146803.315250642-
3,4-Dimethyl-5-pentyl-2-furanundecanoic acid-ME795873--3.318635211-
PS(O-34:1)PS O-34:1ME795850--3.320344449-
Acidissiminin-ME795880--3.325934591-
N-(2-hydroxynonadecanoyl)-phytosphingosine-ME795828--3.326477757-
FA oxo(18:0)-ME796306--3.32972279-
FA hydroxy(20:3)-ME796334--3.335470393-
N-octadecanoyl-glycineNA-Gly 18:0ME795885--3.36061975-
FA methyl(18:2)-ME795949--3.361337045-
FA hydroxy(18:1)]-ME796319--3.363464186-
N-(11Z,14Z-eicosadienoyl)-ethanolamineEicosadienoyl-EAME795802--3.368866679-
N-(11Z-eicosaenoyl)-ethanolamine11Z-Eicosaenoyl-EAME795806--3.376795006-
FA hydroxy(20:1)-ME796305--3.386929642-
FA oxo(21:0)-ME795848--3.408435688-
1,2-ditetradecanoyl-sn-glycero-3-phosphosulfocholi...-ME795804--3.414519028-
Ala-Phe-Cys-Gln-ME795924--3.431578331-
TetradecanoylcarnitineCAR 14:0ME795793--3.433411068-
[FA oxo(5:1/5:0/8:0)] (1S,2S)-3-oxo-2-(2'Z-penteny...-ME796400-C047803.437192582-
PipericineNA-PipericineME795817--3.438848161-
(+)-ProsopinineProsopinineME796007-C101673.440540144-
DehydrophytosphingosineDehydrophytosphingosineME796011--3.469778909-
vernolate-ME796309--3.481053451-
N-(2-hydroxyicosanoyl)-phytosphingosine_1-ME795815--3.481892527-
Sinapoylspermine-ME795845--3.509548715-
Methyl (2E,6E)-(10R,11S)-10,11-epoxy-3,7,11-trimet...-ME795974-C048673.51138024-
OctadecanamideStearamideME795816-C138463.525929485-
HymenoflorinHymenoflorinME796318-C094803.540823458-
N-(9Z,12Z-octadecadienoyl)-ethanolamineLinoleoyl-EAME796314--3.547383937-
Tributyl phosphateTributyl phosphateME795811-C144393.54840184-
FA oxo(23:0)-ME795821--3.559692552-
3-Ketosphingosine3-KetosphingosineME795846-C061213.58667157-
2-Ethylhexyl phthalate_1Monoethylhexyl phthalic acidME795870-C033433.59897611-
[FA trimethyl(13:2)] tridecadienoic acidTridecadienoic acidME795874-C048343.608610506-
alpha-Methylstyrene-ME795968-C143953.624517237-
CinnamaldehydeCinnamaldehydeME795915-C009033.629374134-
Ala-Cys-Pro-Arg-ME795945--3.629550623-
LappaconitineLappaconitineME796266-C086943.641039676-
GlutarylcarnitineCAR DC5:0ME795887--3.644163344-
LinoleamideLinoleamideME795863--3.645766675-
SM(d34:1)SM 34:1;O2ME795862--3.646385183-
[SP hydroxy,hydroxy,methyl(10:2/2:0)] 6R-(8-hydrox...-ME796041--3.64969112-
CuauhtemoneCuauhtemoneME795995-C096453.657448324-
FA (16:2)Hexadecadienoic acidME796046--3.661333338-
3,5,7-Trimethyl-2E,4E,6E,8E-undecatetraene-ME796070--3.667212969-
[FA (18:1)] 9Z-octadecenamideOleamideME796330--3.686396309-
FA (14:2) tetradecadienal-ME796069--3.695260018-
Ala-Asp-Pro-Arg-ME796056--3.702987172-
(1R,4S)-fenchan-2-one-ME796054--3.714887492-
Ala-Met-Ala-Arg-ME795936--3.71681235-
FA oxo(14:1) cyclopentanebutanoic acid-ME795872--3.728452776-
N-HexadecanoylpyrrolidineEthyl 2-pyrrolecarboxylateME795883--3.736578407-
PalmiticamidePalmitamideME795888--3.777438289-
FA (12:1) dodecenoic acidDodecenoic acidME796013--3.782578164-
[FA amino(14:0)] 2-amino-tetradecanoic acid2-Aminotetradecanoic acidME796005--3.794046105-
decanamideDecanamideME795838--3.806567239-
10,11-dihydro-20-trihydroxy-leukotriene B4-ME796311--3.881776522-
[PR] (+)-exo-5-Hydroxycamphor-ME795868-C034483.886263326-
Indole_1IndoleME795981-C004633.915831655-
LysoPC(18:0)LPC 18:0ME795871-C042304.000225293-
LysoPC(18:1)LPC 18:1ME795867--4.075875308-
LysoPE(18:2)LPE 18:2ME796308--4.081548761-
LysoPE(18:1)LPE 18:1ME796307--4.107295048-
Formylfusarochromanone-ME796335--4.132282719-
Arg-Cys-Pro-Ser-ME796022--4.157350611-
SM(d39:1)SM 39:1;O2ME795840--4.159877787-
Ile-Ile-ValIle-Ile-ValME796351--4.162819877-
PC(18:2)PC 18:2ME795856--4.18727111-
[PC(18:3)]-ME795861--4.20399071-
LysoPE(18:0)LPE 18:0ME796312--4.207332743-
LysoPC(16:0)LPC 16:0ME795859-C042304.226677779-
LysoPC(16:1)LPC 16:1ME795864-C042304.237503721-
Sambutoxin-ME795831--4.253185178-
N-UndecanoylglycineNA-Gly 11:0ME796331--4.272095583-
2-Aminoacridone2-AminoacridoneME795860-C121434.310686436-
TadalafilTadalafilME795796--4.333053352-
[LysoPC(14:0)] 1-tetradecanoyl-sn-glycero-3-phosph...-ME795889-C042304.343017908-
Acetylcholine_1AcetylcholineME796058-C019964.373928974-
Prenyl-L-cysteineS-Prenyl-L-cysteineME796104-C067514.378440085-
Glu-Pro-ValGlu-Pro-ValME796322--4.387545663-
SphinganineSphinganineME795837-C008364.388381468-
8,8-Dimethyl-2-phenyl-4H,8H-benzo[1,2-b:3,4-b']dip...-ME796399--4.426479029-
SM(d40:1)SM 40:1;O2ME795829-C005504.439016677-
SM(d41:1)SM 41:1;O2ME795820--4.459098138-
LysoPC(12:0)LPC 12:0ME796065--4.473419755-
5-exo-Hydroxy-1,2-campholide5-exo-Hydroxy-1,2-campholideME795881-C038434.476010573-
[SP (17:0)] heptadecasphinganineC17 SphinganineME795851--4.482968507-
2,3,4,5-Tetrahydropyridine-2-carboxylate(S)-1-Piperideine-6-carboxylic acidME795989-C004504.48814777-
Ile-Val-Pro-Tyr-ME796324--4.49550705-
N-(2-hydroxyicosanoyl)-phytosphingosine-ME795855--4.501116689-
L,L-Cyclo(leucylprolyl)-ME795865--4.507401089-
PerlolyrinePerlolyrineME795827-C092314.530801863-
N-Decanoylglycine-ME796386--4.538653341-
N-(6-Aminohexanoyl)-6-aminohexanoate-ME796332-C012554.558182064-
indole-3-acetyl-valine-ME796408--4.610464835-
Ile-Ile-Pro-Pro-ME796310--4.616064849-
Dehydroxymethylflazine-ME795834--4.618860404-
Asn-Pro-Pro-Pro-ME795875--4.629306803-
Polypropylene glycol (m w 1,200-3,000)-ME795803--4.630101171-
Methyl 2-(4-isopropyl-4-methyl-5-oxo-2-imidazolin-...-ME796597-C114944.635677526-
Zinnimidine_1ZinnimidineME795969-C106264.638453937-
SubaphyllinSubaphyllineME796389-C104974.639016667-
alpha-Methylstyrene_1-ME795897-C143954.640032695-
HexadecasphinganineC16 SphinganineME795957-C139154.648161712-
Avenalumin III-ME795797--4.650245435-
Sucrose monopalmitate-ME795910--4.650983872-
PiperidinePiperidineME795982-C017464.656431139-
4-(Trimethylammonio)but-2-enoate_2(E)-4-(Trimethylammonio)but-2-enoateME796033-C041144.663752797-
Slaframine_3SlaframineME796469-C061854.671262207-
Ile-His-IleIle-His-IleME796132--4.671548869-
Ile-Met-Thr-Pro-ME796323--4.675527763-
Indole_2IndoleME795912-C004634.676923896-
Ile-Lys-Trp-Pro-ME796032--4.67742044-
Ile-Ile-ProIle-Ile-ProME796353--4.679626559-
FasoracetamFasoracetamME795866-C133114.681061673-
His-Ile-Ile-Phe-ME796068--4.682448509-
Ile-ValIle-ValME796373--4.685330916-
Ala-Leu-Val-Pro-ME796018--4.685370337-
Ala-Val-Val-Pro-ME796339--4.688141999-
N-Nonanoylglycine-ME796321--4.690257587-
Indan-1-olIndan-1-olME795932-C017104.690487201-
Toxin T2 tetrol-ME796346--4.691079497-
Ile-Ile-SerIle-Ile-SerME796415--4.692818607-
L-Rhamnofuranose-ME796369-C024314.6936326-
Niazicinin A-ME796637--4.693737759-
Dihydro-4,4-dimethyl-2,3-Furandione2-DehydropantolactoneME795963-C011254.694671069-
2-Oxobutanoate3-Methyl pyruvic acidME796623-C001094.696250034-
Ile-Pro-ValIle-Pro-ValME796377--4.700122899-
HydroxybutyrylcarnitineCAR 4:0;OHME796614--4.702780816-
O-Acetylcarnitine_3CAR 2:0ME796581-C025714.703284539-
L-isoleucyl-L-proline_2Ile-ProME796463--4.703542243-
Semilepidinoside A-ME796352--4.705483988-
Oxidized Oplophorus luciferin-ME796256-C150384.70724275-
L-beta-aspartyl-L-leucine_2-ME796499--4.708651846-
2-Octenedioicacid2-Octenedioic acidME796349--4.710092197-
N-Acetyl-L-phenylalanineN-AcetylphenylalanineME796425-C035194.715687205-
Bendiocarb_1BendiocarbME795990-C144334.716062198-
dihydrothymidine5,6-DihydrothymidineME796475--4.717034549-
Isovalerylglutamicacid_1-ME796000--4.721367764-
L-gamma-Glutamyl-L-hypoglycin-ME796582-C082804.722036764-
Dethiobiotin_2DethiobiotinME796128-C019094.724053904-
1,8-Diazacyclotetradecane-2,9-dione_11,8-Diazacyclotetradecane-2,9-dioneME796362-C042774.729067773-
2-Amino-9,10-epoxy-8-oxodecanoic acid2-Amino-9,10-epoxy-8-oxodecanoic acidME796231-C120274.73255628-
PGP(36:5)PGP 36:5*ME795852--4.733762953-
Pyrimidine nucleosidePyrimidine nucleosideME796143-C031694.751837301-
L-gamma-glutamyl-L-isoleucine_1gamma-GlutamylisoleucineME796164--4.758115239-
L-Tyrosine methyl esterMethyl tyrosinateME795998-C034044.759615055-
N-Acetyl-L-leucineN-AcetylleucineME796421-C027104.761737196-
6-Hydroxypseudooxynicotine_26-HydroxypseudooxynicotineME795826-C012974.763026632-
Castanospermine_1CastanospermineME796028-C022564.769297163-
N-Methyl-2-pyrrolidinone_12-PyrrolidinoneME795916-C111184.777277239-
Phe-Phe-ArgPhe-Phe-ArgME796271--4.779953653-
8-Amino-7-oxononanoate8-Amino-7-oxononanoic acidME796364-C010924.79294832-
N-(2-hydroxyoctadecanoyl)-phytosphingosine_1-ME795813--4.798369995-
Heterophyllin-ME796358--4.806218923-
L-methioninamide_1-ME796255--4.874104375-
4-Aminobutanal4-AminobutyraldehydeME795997-C005554.888243323-
PantetheinePantetheineME796394-C008314.931937022-
Asn-Asp-Gln-Tyr-ME796437--5.036119777-
MaculosinCyclo(Pro-Tyr)ME796381-C106055.049227152-
Asn-Lys-Met-Trp-ME795987--5.116849976-
L-Rhamnofuranose_1-ME796016-C024315.139412828-
L-lysine-p-nitroanilide-ME796216--5.140334751-
6-Hydroxypseudooxynicotine_16-HydroxypseudooxynicotineME795853-C012975.180323876-
phenoxy radical VII-ME796304--5.25586789-
Leucyl-Hydroxyproline_1Leucyl-hydroxyprolineME795972--5.26344947-
2-Amino-5-phosphopentanoic acid-ME796006-C137345.268848589-
Vinylacetylglycine_2VinylacetylglycineME796049--5.283367767-
Pipotiazine-ME796229--5.399283374-
Muscarine-ME796001-C074735.45846292-
PyridoxaminePyridoxamineME795835-C005345.619527317-
Heliettin_1-ME796037-C092675.6231417-
Aspartyl-L-proline_3Asp-ProME796145--5.628722005-
HarmanHarmanME795807-C092095.690845687-
Maculosin_1Cyclo(Pro-Tyr)ME796329-C106055.721822254-
gamma-L-Glutamyl-D-alanine_2gamma-L-Glutamyl-D-alanineME796127-C037385.726240106-
(2-Butylbenzofuran-3-yl)(4-hydroxyphenyl)ketone-ME796184-C150495.757945124-
2-Amino-5-phosphopentanoic acid_1-ME795984-C137345.772307312-
Pantetheine_1PantetheineME796003-C008315.797554486-
N-Acetylmethionine_2N-AcetylmethionineME796061-C027125.837618491-
L-methioninamide-ME796268--5.902393316-
4-Aminobutanoate_1gamma-Aminobutyric acidME796029-C003346.010382809-
SenecionineSenecionineME795946-C061766.807336663-
2-chlorohexadecanol_12-ChlorohexadecanolME795961--6.912038862-
6-methylthiohexylhydroximate-ME796107--6.928555562-
SecobarbitalSecobarbitalME795958--6.945419413-
N-Methyl-2-pyrrolidinone2-PyrrolidinoneME796356-C111186.9725-
Pentadecanoyl-EAPentadecanoyl-EAME795978--6.984236077-
SlaframineSlaframineME796403-C061857.026746114-
ZinnimidineZinnimidineME796375-C106267.036864997-
[ST (3:0)] (5Z,7E)-(1S,3R,16R)-16-glutaryloxy-9,10...-ME795795--7.056114515-
1,8-Diazacyclotetradecane-2,9-dione1,8-Diazacyclotetradecane-2,9-dioneME796379-C042777.062751634-
Ile-Val_1Ile-ValME796343--7.070267892-
N-(6-Aminohexanoyl)-6-aminohexanoate_2-ME796059-C012557.071404257-
Decanoylcholine-ME796021--7.075048286-
Hexadeceylamin-ME795805-Intstd7.082252357-
LysoPC(18:1)_1LPC 18:1ME795801--7.085287507-
Ile-Pro-Val_1Ile-Pro-ValME796316--7.085557971-
N-Acetyl-L-phenylalanine_1N-AcetylphenylalanineME796366-C035197.089927146-
ThymineThymineME796382-C001787.090639462-
O-AcetylcarnitineCAR 2:0ME796569-C025717.093324338-
Ala-Pro_2Ala-ProME796071--7.094061686-
Ile-Ser-ValIle-Ser-ValME796326--7.098419114-
Ile-TyrIle-TyrME796438--7.100898078-
Val-Val_1Val-ValME795956--7.100900626-
N-AcetylmethionineN-AcetylmethionineME796429-C027127.104055579-
Ile-His-ProIle-His-ProME796391--7.105998155-
LathodoratinLathodoratinME796095-C090127.106070255-
Isovalerylglutamicacid-ME796073--7.10628891-
validoxylamine A-ME796293--7.10667859-
N4-AcetylaminobutanalN4-AcetylaminobutanalME796166-C059367.10782057-
gamma-L-Glutamyl-D-alanine_4gamma-L-Glutamyl-D-alanineME796533-C037387.109356784-
L-gamma-glutamyl-L-isoleucine_2gamma-GlutamylisoleucineME796494--7.109410685-
N-Acetyl-L-leucine_1N-AcetylleucineME796371-C027107.110012224-
N-Acetyl-L-glutamate 5-semialdehydeN-Acetyl-glutamate 5-semialdehydeME796517-C012507.111411133-
Biotin_1BiotinME796012-C001207.112730276-
Trp-AlaTrp-AlaME796081--7.11445369-
L-gamma-Glutamyl-L-hypoglycin_1-ME796612-C082807.114693349-
(3S,5R)-carbapenam_2-ME796103--7.115065002-
Leucyl-HydroxyprolineLeucyl-hydroxyprolineME796270--7.11550296-
Aspartyl-L-prolineAsp-ProME796253--7.11584853-
Ile-Ala_2Ile-AlaME796087--7.118595057-
L-beta-aspartyl-L-leucine_1-ME796615--7.118877786-
validamine-ME796217--7.11917028-
MetharbitalMetharbitalME796092--7.120134537-
Val-TyrVal-TyrME796461--7.121550653-
N-Acetyl-L-glutamateN-Acetylglutamic acidME796313-C006247.124819222-
BrunfelsamidineBrunfelsamidineME796170-C101337.128577523-
N-Acetyl-D-tryptophanN-Acetyl-D-tryptophanME796602-C031377.133282563-
2-Aminomuconate semialdehyde-ME796167-C038247.137128682-
NicotinamideNiacinamideME796142-C001537.140999502-
4-Oxoproline_14-Oxo-prolineME796236-C018777.141091039-
(S)-ATPA_1(S)-ATPAME796388-C137337.144562802-
8-Amino-7-oxononanoate_28-Amino-7-oxononanoic acidME796064-C010927.157214966-
CPX-ME796105-C137097.1640278-
Ala-Asp-ProAla-Asp-ProME796497--7.16535247-
Dehydrophytosphingosine_1DehydrophytosphingosineME795891--7.173400563-
N-AcetylputrescineN-AcetylputrescineME796096-C027147.174680006-
Methyl 2-diazoacetamidohexonateMethyl 2-diazoacetamidohexonateME796445-C012237.1824821-
PGP(36:5)_1PGP 36:5*ME795810--7.192779051-
allylcysteineS-AllylcysteineME796017-C167597.203055946-
Thiomorpholine 3-carboxylateThiomorpholine-3-carboxylic acidME796168-C039017.207812368-
N-Butyryl-L-homoserine lactoneN-Butyryl-L-homoserine lactoneME796465-C118377.2127545-
CastanospermineCastanospermineME796574-C022567.236735586-
3,5-dihydro-5-methylidene-4H-imidazol-4-one-ME796213--7.297358726-
Glu-Met_2Glu-MetME796611--7.301452128-
N-EthylmaleimideN-EthylmaleimideME795876-C024417.315348307-
N(pi)-Methyl-L-histidine3-MethylhistidineME796075-C011527.320285017-
Ethyl 3-methyl-9H-carbazole-9-carboxylate-ME796220--7.320568894-
Valyl-Hydroxyproline_2-ME796460--7.361055586-
N-((R)-Pantothenoyl)-L-cysteine-ME796634-C040797.386975745-
Ala-CysAla-CysME796275--7.402071686-
Glu-Glu_3Glu-GluME796171-C014257.410642522-
Ile-ThrIle-ThrME796355--7.411482107-
Nalpha,Nalpha-Dimethyl-L-histidineN,N-DimethylhistidineME796258-C042597.413912871-
L-HistidinalHistidinalME796101-C019297.460989844-
DeoxyadenosineDeoxyadenosineME796474-C005597.47681783-
Ala-Met-Asn-Gln-ME796154--7.486956957-
DeoxymannojirimycinDeoxymannojirimycinME796520-C101417.491967924-
HydroxypropionylcarnitineCAR 3:0;OHME796378--7.493320533-
Acetone cyanohydrin2-Hydroxy-2-methylpropanenitrileME796233-C026597.494248623-
Phantomolin-ME796163-C095277.49832839-
2-Ethyl-5-imino-1-cyclopenten-1-ol-ME796138--7.503443319-
Nnal-N-oxideNNAL-N-oxideME796459-C196037.567749928-
corresponding carbamoyl amino acid-ME796062--7.579137675-
Lenacil-ME796228-C112007.681432597-
Leu-Gly-ProLeu-Gly-ProME795911-C018337.681641981-
BellendineBellendineME796224-C108467.730878795-
CaproylcholineCaproylcholineME796009--7.786716105-
L-isoleucyl-L-proline_1Ile-ProME795917--7.799957241-
d-biotin d-sulfoxide-ME796587--7.804514501-
CHAPSCHAPSME796336-C113217.809147588-
RiboflavinRiboflavinME795878-C002557.816214799-
Bendiocarb_3BendiocarbME796035-C144337.818192749-
Valyl-Hydroxyproline-ME796416--7.829043901-
N-RibosylhistidineN-RibosylhistidineME796265--7.836703029-
gamma-Glutamyl-gamma-aminobutyraldehyde_2gamma-Glutamyl-gamma-aminobutyraldehydeME796554-C157007.838754866-
PorphobilinogenPorphobilinogenME796344-C009317.860403103-
Asn-Asp-Gln-Tyr_1-ME796315--7.870301838-
Cys-ProCys-ProME795976--7.870327778-
NicotinateNicotinic acidME796317-C002537.871183359-
N-Hydroxy-2-acetamidofluorene-ME796208-C039547.8772024-
Ala-Asn-TyrAla-Asn-TyrME796249--7.883675451-
Militarinone BMilitarinone BME796468-C123347.957251278-
PantothenatePantothenic acidME796384-C008647.963566644-
5-Aminopentanamide5-AminopentanamideME796047-C009907.978836144-
Ala-Lys-Gln-Pro-ME795836--8.043404683-
Nalpha,Nalpha-Dimethyl-L-histidine_1N,N-DimethylhistidineME796057-C042598.077521619-
Calystegin B2_2Calystegin B2ME796472-C108518.097642229-
(S)-ATPA(S)-ATPAME796409-C137338.113696308-
His-LeuHis-LeuME796385-C050108.121597535-
Ala-Phe-Thr-His-ME796221--8.139561702-
EthiofencarbEthiofencarbME796210-C186498.147581748-
Ile-Ile-Ile-Pro-ME796010--8.20069932-
L-CysteineCysteineME796218-C000978.207755923-
S-AcetylphosphopantetheineS-AcetylphosphopantetheineME796327-C037258.221778361-
γ-thiomethyl glutamate-ME796549--8.232097541-
N-PhenylacetamideN-AcetylarylamineME796267-C075658.259707416-
Met-AlaMet-AlaME796340--8.261509607-
Ile-Val-Pro-Ser-ME795818--8.26417698-
PhenylethylmalonamidePhenylethylmalonamideME796219-C074998.284541248-
BendiocarbBendiocarbME796433-C144338.293072188-
L-isoleucyl-L-proline_3Ile-ProME796470--8.294155545-
Militarinone B_2Militarinone BME796543-C123348.334254945-
UracilUracilME796402-C001068.341389974-
Proclavaminic acid_2Proclavaminic acidME796508-C066588.368537017-
N2-(D-1-Carboxyethyl)-L-lysineD-LysopineME796393-C040208.375911741-
N-Formyl-L-methionineN-FormylmethionineME796583-C031458.393859863-
Epsilon-(gamma-Glutamyl)-lysineEpsilon-(gamma-Glutamyl)-lysineME796407--8.399027546-
AdenosineAdenosineME796454-C002128.419311287-
Asp-Pro-Ser-Tyr-ME796040--8.453342579-
Asn-Lys-Asp-Cys-ME796412--8.455595002-
(S)-1-Pyrroline-5-carboxylate1-Pyrroline-5-carboxylic acidME796111-C039128.500069394-
gamma-Glutamyl-gamma-aminobutyraldehyde_3gamma-Glutamyl-gamma-aminobutyraldehydeME796464-C157008.543718465-
Asn-Met-Gln-Pro-ME796439--8.553398019-
ButalbitalButalbitalME796195--8.620847914-
CAPS-ME796348--8.622577733-
FA hydroxy(4:0) N-(3S-hydroxy-butanoyl)-homoserine...-ME796112-C118428.638924527-
Pantothenate_1Pantothenic acidME796368-C008648.643047714-
Ala-Gln-Gln-Ser-ME796325--8.644008759-
N-Acetyl-D-fucosamineN-Acetyl-D-fucosamineME796451-C154808.671397841-
9-mercaptodethiobiotin_1-ME795913--8.682308112-
L-thiazolidine-4-carboxylate_2-ME796523--8.693577858-
BiotinBiotinME796027-C001208.731508156-
gamma-Glutamyl-beta-aminopropiononitrile_2gamma-Glutamyl-beta-aminopropiononitrileME796072-C061148.739647496-
Ala-Lys-Asn-Pro-ME795832--8.75069565-
Rutamarin-ME796031-C093088.751361724-
N-(1-Deoxy-1-fructosyl)phenylalanine-ME796289--8.7532999-
6-Hydroxypseudooxynicotine6-HydroxypseudooxynicotineME796200-C012978.773055081-
N2-Succinyl-L-ornithineN2-SuccinylornithineME796544-C034158.826639104-
L-Histidine_3HistidineME796083-C001358.862371148-
(3S,5R)-carbapenam-ME796234--8.889389155-
TriethanolamineTriethanolamineME795879-C067718.911833993-
DethiobiotinDethiobiotinME796338-C019098.926810557-
L-isoleucyl-L-prolineIle-ProME796158--8.955348409-
L-beta-aspartyl-L-alaninebeta-AspartylalanineME796456--8.975609899-
Gibberellin A3Gibberellin A3ME796052-C016998.987051203-
3-Methoxytyramine3-MethoxytyramineME796264-C055878.999753922-
AdenineAdenineME796434-C001479.003877224-
Slaframine_4SlaframineME796148-C061859.006134423-
5-Methoxytryptophol_15-MethoxytryptopholME796245--9.02660072-
Ala-Gly-HisAla-Gly-HisME796301--9.032910112-
9-mercaptodethiobiotin-ME796396--9.041664839-
(R)-2,3-Dihydroxy-3-methylpentanoate-ME796303-C060079.045168898-
5-Valerolactone5-ValerolactoneME795800-C022409.051561095-
S-benzyl-D-cysteine-ME796222--9.081773885-
5-Aminolevulinate5-Amino-levulinic acidME796397-C004309.115477227-
AcanthicifolineAcanthicifolineME796177-C099079.171145674-
Proclavaminic acidProclavaminic acidME796457-C066589.182057435-
2-Amino-4-hydroxy-6-hydroxymethyl-7,8-dihydropteri...-ME795812-C013009.219804929-
Asn-Asn-Asn-Pro-ME796204--9.230445141-
(1xi,3xi)-1,2,3,4-Tetrahydro-1-methyl-beta-carboli...-ME796367--9.243637575-
Ala-Gly-SerAla-Gly-SerME796278--9.251621162-
3-Methylguanine3-MethylguanineME796074-C022309.263175117-
N-AcetylmuramateN-Acetylmuramic acidME796284-C027139.294105966-
Zileuton-ME796205--9.294266011-
2-amino-3,7-dideoxy-D-threo-hept-6-ulosonate-ME796584--9.319175252-
Met-SerMet-SerME796424--9.342929002-
Homostachydrine(S)-HomostachydrineME796117-C082839.366257415-
L-Alanine_2AlanineME796118-C000419.369413859-
N-AcetylglutamineN-AcetylglutamineME796527--9.377869783-
AldicarbAldicarbME796254-C110159.390163506-
Ala-Glu-Ala-Ile-ME796230--9.402843657-
3-Hydroxykynurenamine3-HydroxykynurenamineME796182-C056369.42825178-
quinonoid dihydro-(6H)-biopterin-ME796051--9.429854932-
Dihydroclavaminic acidDihydroclavaminic acidME796350-C066599.449582625-
Phe-Thr-SerPhe-Thr-SerME796155--9.455959179-
me-iP-ME796129--9.522630564-
3-Methylbutanoyl-CoA-ME796594-C029399.583422552-
IndoleIndoleME796067-C004639.604945577-
Kanzonol V-ME795983--9.607956724-
L-PhenylalaninePhenylalanineME796426-C000799.611563348-
Ile-AsnIle-AsnME796427--9.639532094-
Dethiobiotin_3DethiobiotinME796576-C019099.640712063-
AMP-Mor-ME796019--9.65249193-
L-2-Aminoadipatealpha-Aminoadipic acidME796419-C009569.654812826-
2,3-Diphenyl-1-indanone-ME796260-C146579.701742667-
HypoxanthineHypoxanthineME796185-C002629.726422835-
Ala-Leu-Val-Ser-ME796209--9.749258898-
(S)-1-Pyrroline-5-carboxylate_21-Pyrroline-5-carboxylic acidME796106-C039129.750335592-
N-Acetylornithine_3N-AcetylornithineME796578-C004379.752373363-
S-adenosyl-1,8-diamino-3-thiooctane-ME796567--9.76972223-
N-Acetyl-D-fucosamine_2N-Acetyl-D-fucosamineME796540-C154809.801133298-
Pantetheine 4'-phosphatePantetheine 4'-phosphateME796411-C011349.802574666-
O-methylandrocymbine_2-ME796566-C167099.809385022-
5-Hydroxytryptophol5-HydroxytryptopholME796579--9.883094564-
CytosineCytosineME796091-C003809.987455987-
D-ApiitolApiitolME796374-C015699.994471193-
methoxy-PU-ME796585--9.99533187-


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
(S)-LactateLactic acidME797191-C0018610.01980943-
Ethyl isopropyl disulfide-ME797173--10.024207-
Phe-GlyPhe-GlyME797306--10.11350098-
Glu-Ala-IleGlu-Ala-IleME797311--10.14283328-
Asn-Phe-Tyr-Tyr-ME797086--10.17986744-
6-methylthiohexylhydroximate-ME797109--10.20083079-
GlycerolGlycerolME797070-C0011610.23531721-
4-Hydroxyphenylacetate4-Hydroxyphenyl acetateME796981-C0064210.2673429-
N-AcetylneuraminateN-Acetylneuraminic acidME797357-C0027010.26879842-
Glu-ThrGlu-ThrME797336--10.27013979-
Ala-Asp-Gly-Pro-ME797178--10.27104025-
2-OxoadipateOxoadipic acidME797160-C0032210.29342438-
Ala-Asn-Asp-Pro-ME797269--10.29745702-
8-Oxodeoxycoformycin8-OxodeoxycoformycinME796802-C0295710.32556481-
Glu-His-ThrGlu-His-ThrME797193--10.34496844-
Ile-Gly-PheIle-Gly-PheME797359--10.36833111-
L-ThreonineThreonineME796979-C0018810.38539113-
6,7-Dimethyl-8-(1-D-ribityl)lumazine6,7-Dimethyl-8-(1-D-ribityl)lumazineME797124-C0433210.39520802-
Ala-CysAla-CysME797100--10.42097533-
N-AcetylgalactosaminateN-AcetylgalactosaminateME797105-C0340810.45696259-
Glepidotin BGlepidotin BME796824-C0975310.45699689-
Asp-Pro-SerAsp-Pro-SerME797121--10.54510185-
4-Hydroxy-4-methylglutamate_2(2S,4S)-4-Amino-2-hydroxy-2-methylpentanedioic acidME797257-C0603410.56463013-
OphthalmicacidOphthalmic acidME797325--10.58289998-
Glu-GluGlu-GluME797356-C0142510.58625274-
Glu-Ala-ValGlu-Ala-ValME797166--10.58851228-
L-beta-aspartyl-L-leucine-ME797120--10.61598145-
Glu-Gly-PheGlu-Gly-PheME797333--10.63515795-
HomocysteinesulfinicacidHomocysteinesulfinic acidME797344--10.63677667-
N-AcetylglutamineN-AcetylglutamineME797042--10.68002377-
Ile-Val-Pro-Ser-ME796900--10.68797339-
N4-(Acetyl-beta-D-glucosaminyl)asparagineAspartylglycosamineME797078-C0454010.70624503-
Ile-Ser-SerIle-Ser-SerME797101--10.71730437-
N-AcetylmuramateN-Acetylmuramic acidME797286-C0271310.71853344-
L-gamma-glutamyl-L-isoleucinegamma-GlutamylisoleucineME797165--10.75832563-
L-LeucineLeucineME797088-C0012310.75871111-
L-Threonine_1ThreonineME796767-C0018810.76540049-
L-AlanineAlanineME796985-C0004110.7692844-
Leucyl-leucyl-norleucine-ME797020-C1132810.77594608-
4-Aminobutanoategamma-Aminobutyric acidME796989-C0033410.77995887-
Arg-Leu-Lys-Asp-ME797137--10.78256482-
Allogibberic acidAllogibberic acidME796965-C0906110.78461133-
D-GlucosamineGlucosamineME797037-C0032910.79042338-
L-Rhamnofuranose_3-ME796970-C0243110.80912499-
[FA hydroxy(11:2/11:2)] 2R,9R-dihydroxy-3S,4S,7S,8...DepdecinME796872--10.81572381-
Glu-Ile-IleGlu-Ile-IleME796964--10.81783078-
BicozamycinBicozamycinME797057-C1125910.82052597-
OrotateOrotic acidME796952-C0029510.83138109-
5,6-Dihydrouracil_4DihydrouracilME797074-C0042910.94328902-
Asp-Gln-Pro-Pro-ME797365--10.97059448-
FMNFMNME797095-C0006111.02544382-
L-Aspartate 4-semialdehyde_2Aspartate-semialdehydeME797016-C0044111.03548889-
Citpressine I-ME797338--11.04880081-
(+)-pinoresinolPinoresinolME796773-C0536611.05059328-
PsorosperminPsorosperminME797317-C1009011.05175659-
L-Hypoglycin-ME796844-C0828711.07217051-
SulfoacetaldehydeSulfoacetaldehydeME797128-C0059311.07844073-
Ile-Met-MetIle-Met-MetME797329--11.0895917-
Thr-Thr-SerThr-Thr-SerME797222--11.10694064-
L-beta-aspartyl-L-alaninebeta-AspartylalanineME797259--11.11651551-
N4-AcetylcytidineN4-AcetylcytidineME797018--11.14407899-
Ala-Lys-Cys-His-ME797089--11.14707585-
N-linoleoyl taurineNA-Taurine 18:2(9Z,12Z)ME796983--11.16667002-
N3-(4-methoxyfumaroyl)-L-2,3-diaminopropanoate-ME796987--11.16937098-
L-Rhamnofuranose-ME797045-C0243111.17590613-
(3S,5R)-carbapenam-ME797233--11.19223172-
D-Erythrose_2ErythroseME797155-C0179611.19274068-
Met-GlyMet-GlyME797221--11.27112536-
3',5'-Cyclic AMP3',5' cyclic AMPME797250-C0057511.33168274-
L-TryptophanTryptophanME797043-C0007811.34238519-
Aspartyl-L-prolineAsp-ProME796895--11.41566249-
Nicotianamine(R,S,S)-NicotianamineME797148-C0532411.45137521-
Bicuculline-ME797314-C0936411.61132331-
TetragastrinTetragastrinME797063--11.61969929-
Polycarpine-ME797126-C0961011.63073075-
Asp-Met-Met-Trp-ME797168--11.64068999-
Glu-Ile-SerGlu-Ile-SerME797117--11.68375425-
Cys-Cys-Pro-Pro-ME797194--11.76906268-
L-Rhamnofuranose_2-ME797133-C0243111.84750777-
2-Deoxy-D-ribose 1-phosphateDeoxyribose 1-phosphateME797266-C0067211.85480565-
[ST oxo(3:0)] (5Z,7E)-(3S,23S)-24-oxo-9,10-seco-5,...-ME796657-C0303312.00403017-
PI(34:3)PI 34:3ME796649--12.01395411-
Asp-Thr-Ser-Ser-ME797190--12.05449818-
Narceine-ME796944-C0959112.10097897-
N-NitrosoprolineN-NitrosoprolineME796998-C1948512.10859077-
LancerinLancerinME797096-C1007512.11899489-
ChrysosplenetinChrysosplenetinME797073-C1003012.12672887-
L-erythro-4-Hydroxyglutamate_2-ME797256-C0594712.156896-
Met-Met-Met-Ser-ME797180--12.16109333-
Ser-Thr-Ser-Ser-ME797224--12.16490259-
Glu-Met-Met-Met-ME797254--12.1832341-
Ala-Met-Asn-Gln-ME797366--12.22688319-
D-ErythroseErythroseME797051-C0179612.25724837-
L-GlutamineGlutamineME797227-C0006412.28801558-
3,3-dimethyl-2-oxobutyric acid 5-(6-aminopurin-9-y...-ME797212--12.3345785-
[FA (7:0/2:0)] Heptanedioic acid_1Pimelic acidME796994-C0265612.33952277-
Arg-Glu-Gln-Ile-ME796962--12.34885503-
5,6-Dihydrouracil_3DihydrouracilME797162-C0042912.36647217-
D-Glucono-1,5-lactoneGluconolactoneME797076-C0019812.3723288-
Pyrrole-2-carboxylate_2Pyrrole-2-carboxylic acidME797082-C0594212.37992889-
ShikimateShikimic acidME797021-C0049312.38468326-
Luteorin 7-(6''''-acetylallosyl-(1->3)-glucosyl...-ME796951--12.40939994-
GuanosineGuanosineME797108-C0038712.44034446-
Citrate_5Citric acidME797025-C0015812.44286455-
Pro-HisPro-HisME796925--12.44522841-
desacetylmycothiol-ME797300--12.45255507-
dAMPdAMPME797184-C0036012.45737535-
(S)-1-Pyrroline-5-carboxylate1-Pyrroline-5-carboxylic acidME797075-C0391212.46863166-
6-Hydroxy-6a,12a-dehydro-alpha-toxicarol-ME797238--12.477029-
Ala-Glu-Cys-Ile-ME797363--12.4770591-
Glu-Ser-Val_2Glu-Ser-ValME797330--12.49459407-
D-Glucose_2GlucoseME797230-C0022112.49541389-
D-GlycerateGlyceric acidME797035-C0025812.49918776-
2,7-Anhydro-alpha-N-acetylneuraminic acidN-Acetyl-2,7-anhydro-alpha-neuraminic acidME796746-C0452112.57600742-
Epicatechin 3-O-(3-O-methylgallate)-ME797245--12.57603391-
D-ArabinonateArabinonic acidME797065-C0087812.61187385-
L-beta-aspartyl-L-leucine_2-ME797130--12.63746609-
Glu-MetGlu-MetME797112--12.64765433-
L-erythro-4-Hydroxyglutamate-ME797198-C0594712.64907753-
(2R,3S,6S)-2,6-diamino-3-hydroxy-diaminopimelate-ME797071--12.65780998-
2-Oxobutanoate_23-Methyl pyruvic acidME797201-C0010912.6808412-
CrocetinCrocetinME797171-C0858812.69091612-
N-acetyl -D- glucosaminitolN-Acetyl-glucosaminitolME797235--12.70777226-
TrimethaphanTrimethaphanME797251-C0717412.75875073-
Trp-Tyr-ArgTrp-Tyr-ArgME797284--12.80888322-
N2-Succinyl-L-ornithineN2-SuccinylornithineME797127-C0341512.84542843-
Chondroitin 6'-sulfate-ME797183--12.84579734-
Ala-Gln-Pro-Pro-ME797341--12.84590833-
L-ArabitolL-ArabitolME796730-C0053212.85581669-
16-bromo-7E,15E-hexadecadien-5,13-diynoic acid-ME797181--12.86456465-
His-Met-Thr-Trp-ME797301--12.87688625-
Met-Asp-ProMet-Asp-ProME797287--12.89827586-
2-(2-Methoxyphenyl)-4H-furo[2,3-h]-1-benzopyran-4-...-ME797205--12.91236605-
20-Trihydroxy-leukotriene-B4-ME797360--12.92470228-
Reduced haloperidol-ME797297--12.93723183-
4-Methylene-L-glutamine4-Methylene-glutamineME797140-C0110912.96736736-
Lys-Lys-Lys-Trp-ME797263--13.00198826-
[FA trihydroxy(4:0)] 2,3,4-trihydroxy-butanoic aci...Threonic acidME797195-C0162013.01228661-
Glu-Ser-ValGlu-Ser-ValME796980--13.01616053-
Glycerophosphoglycerolsn-Glycero-3-phosphoglycerolME797276-C0327413.03587753-
Proclavaminic acidProclavaminic acidME797134-C0665813.09137965-
L-Glutamine_2GlutamineME797260-C0006413.09240896-
D-GlucoseGlucoseME797154-C0022113.12957116-
1-O-Methyl-myo-inositol-ME797061-C0365913.12991391-
[PR] Ketomyxol/ 2'-Hydroxyflexixanthin-ME797296-C1592813.13562876-
CPD0-1656-ME797196--13.20173155-
N-Acetyl-D-glucosaminateN-acetyl-glucosaminic acidME797305-C0113313.263797-
NADHNADHME797275-C0000413.30242221-
P-DPD-ME797203--13.32113941-
Pongamoside A-ME797237--13.49094198-
dichlorochromopyrrolate-ME797197--13.54010902-
Cyclic ADP-riboseCyclic ADP-riboseME797229-C1305013.56791604-
L-seryl-AMP-ME797291--13.57121308-
N2-Succinyl-L-ornithine_2N2-SuccinylornithineME797135-C0341513.61611483-
Asn-ProAsn-ProME797299--13.72458049-
Isradipine-ME797326--13.81457354-
N2-(D-1-Carboxyethyl)-L-lysineD-LysopineME797298-C0402013.82298761-
D-Arabinonate_2Arabinonic acidME797033-C0087813.8560672-
Edifenphos-ME797280-C1443613.85754085-
2-oxo-8-methylthiooctanoate-ME797347--13.91634845-
P-DPD_2-ME797248--13.95241246-
Gamma-Glutamyltyrosinegamma-GlutamyltyrosineME797226--13.95759099-
Deoxyguanidinoproclavaminic acidDeoxyamidinoproclavaminic acidME797267-C0665614.24650697-
gamma-Glutamyl-S-methylcysteine sulfoxide-ME796990--14.24752604-
N-AcetylornithineN-AcetylornithineME797167-C0043714.25773391-
Gamma-Glutamylglutaminegamma-GlutamylglutamineME797310-C0528314.31706888-
N-Acetyl-L-glutamateN-Acetylglutamic acidME797146-C0062414.43586614-
Met-Phe-TrpMet-Phe-TrpME797369--14.43914854-
TRAM-3-ME797106-C1378514.44038395-
PhthalatePhthalic acidME796923-C0160614.49836341-
6-Hydroxynicotinate6-Hydroxynicotinic acidME797159-C0102014.53551168-
L-beta-aspartyl-L-glutamicacid-ME797353--14.54145191-
3-Ethylmalate-ME796803-C0198914.56670108-
S-Cysteinosuccinic acidS-Cysteinosuccinic acidME797349--14.62007815-
3-Deoxy-D-manno-octulosonate-ME797350-C0118714.63438348-
dTDPdTDPME797252-C0036314.64943941-
2-C-Methyl-D-erythritol 4-phosphate-ME796732-C1143414.65212657-
Orthophosphate_3Phosphoric acidME796938-C0000914.65395284-
HydroxymethylphosphonateHydroxymethylphosphonic acidME797211-C0645514.6615173-
Clodronate-ME796749--14.66754307-
(2S)-2-Isopropylmalate2-Isopropylmalic acidME797346-C0250414.6766833-
N-Acetyl-D-glucosamine 6-phosphateN-Acetyl-glucosamine 6-phosphateME797327-C0035714.67838348-
PyrazinemethanethiolPyrazinemethanethiolME797023--14.69043884-
D-Glucosamine 6-phosphateGlucosamine 6-phosphateME797352-C0035214.70057204-
Hexahydro-2',4-dimethylspiro[1,3-dithiolo[4,5-c]fu...-ME797208--14.7220088-
D-Gluconic acid_2Gluconic acidME797186-C0025714.8269106-
(Z)-N-[(4-hydroxyphenyl)methyl]ethoxycarbothioamid...-ME797316--14.82991403-
Thr-Ser-SerThr-Ser-SerME797304--14.8369919-
Herbacetin 7-methyl ether 3-(2''-(E)-feruloylgluco...-ME797318--14.8444784-
dTDP-3-amino-2,3,6-trideoxy-D-threo-hexopyranos-4-...-ME797243-C1231814.85226308-
6-Methoxy-3-(2-thiazolyl)-1H-indole-ME797122--14.85362843-
Miraxanthin-IMiraxanthin-IME797219-C0855414.85926504-
Isoferulic acid 3-sulfateIsoferulic acid 3-sulfateME797014--14.94577022-
(S)-2-Acetolactate(S)-2-AcetolactateME797069-C0601014.96903673-
methiin-ME797026--14.9947882-
2,3-DimethylmaleateDimethyl maleateME796958-C0092215.00930884-
D-Ribose 5-phosphate_2Ribose 5-phosphateME797309-C0011715.10439422-
AMPAMPME797253-C0002015.12473532-
Caffeic acid 3-sulfateCaffeic acid 3-sulfateME797141--15.14988191-
5,6-Dihydrouracil_2DihydrouracilME797202-C0042915.17507531-
SulmazoleSulmazoleME797294-C1374915.18472914-
11-O-Demethylpradinone I-ME797342-C0677515.19724496-
Dihydro-NAME_2Dihydro-NAMEME797361-C1241815.3865254-
UDPMurAc(oyl-L-Ala-D-gamma-Glu-L-Lys-D-Ala-D-Ala)-ME797158-C0470215.40626232-
6-(alpha-D-Glucosaminyl)-1D-myo-inositol 1,2-cycli...-ME797281-C1607015.44404779-
Adenine_2AdenineME797157-C0014715.55211168-
UDP-N-acetylmuramoyl-L-alanineUDP-N-acetylmuramoyl-alanineME797149-C0121215.57565104-
Glu-Asp-MetGlu-Asp-MetME797242--15.59419869-
gamma-Glutamyl-S-(1-propenyl)cysteine sulfoxide-ME797270--15.59438193-
melibionate-ME797283--15.68221152-
SuccinateSuccinic acidME797145-C0004215.69865217-
(R)-2-Hydroxyglutarate2-Hydroxyglutaric acidME797244-C0108715.73527832-
D-glycero-L-galacto-Octulose-ME797335--15.74133833-
N-Acetylgalactosaminate_2N-AcetylgalactosaminateME797277-C0340815.75975226-
ChorismateChorismic acidME797187-C0025115.89360875-
3-Methoxy-4-hydroxyphenylglycolaldehyde3-Methoxy-4-hydroxyphenylglycolaldehydeME797182-C0558315.90288026-
Gingerglycolipid B-ME797343--15.91691691-
D-Ribose 5-phosphateRibose 5-phosphateME797207-C0011715.91724635-
L-Threonine_2ThreonineME797172-C0018816.01291548-
2-amino-4-oxo-6-(erythro-1',2',3'-trihydroxyprolyl...-ME796918-C0525416.06741808-
D-Gluconic acidGluconic acidME797058-C0025716.09453057-
2-Oxobutanoate3-Methyl pyruvic acidME797067-C0010916.12551839-
2'',6''-Di-O-acetylononin-ME797282--16.17884199-
methiin_2-ME797278--16.19685567-
dCDPdCDPME797255-C0070516.20508712-
5-O-(1-Carboxyvinyl)-3-phosphoshikimate-ME797308-C0126916.2085323-
D-Glucose 6-phosphate_2Glucose 6-phosphateME797199-C0009216.25380064-
ADP_2ADPME797209-C0000816.31387217-
MaltotrioseMaltotrioseME797040-C0183516.3168315-
L-CysteateCysteic acidME797345-C0050616.32917901-
D-Sedoheptulose 7-phosphateD-Sedoheptulose 7-phosphateME797228-C0538216.33047595-
(3S)-3-Carboxy-3-hydroxypropanoyl-CoA-ME797364-C0434816.33234897-
dTTPdTTPME797265-C0045916.34988082-
2-Oxoglutarate2-Oxoglutaric acidME797156-C0002616.35432512-
Orthophosphate_2Phosphoric acidME797262-C0000916.35462277-
6-Phospho-2-dehydro-D-gluconate-ME797285-C0121816.39829881-
HydroxypyruvateHydroxypyruvic acidME796973-C0016816.40812887-
Nabam-ME797272-C1874816.48747127-
O-Phospho-L-serinePhosphoserineME797188-C0100516.60118798-
Citrate_2Citric acidME797151-C0015816.62029219-
octulose 8-phosphateOctulose 8-phosphateME797247--16.65139507-
PhosphophosphinatePhosphophosphinateME797355-C1202216.65899843-
UDP-glucoseUDP-glucoseME797223-C0002916.67335111-
(S)-MalateMalic acidME797059-C0014916.70037448-
Epigallocatechin 5,3',5'-trimethyl ether 3-O-galla...-ME797236--16.7481458-
UDPUDPME797274-C0001516.81602224-
PhosphoenolpyruvatePhosphoenolpyruvic acidME797292-C0007416.87613764-
[Fv trihydroxy,methyl(9:1)] 8-Chloro-5,7,4'-trihyd...-ME797271--16.88882666-
N-Carbamyl-L-glutamateCarglumic acidME797218-C0582916.95229628-
D-Glucose 6-phosphateGlucose 6-phosphateME796997-C0009217.00706173-
3,4-Dicaffeoyl-1,5-quinolactone-ME797289--17.02379703-
Gln-Leu-Lys-Tyr-ME797185--17.06567903-
(R,R)-Tartaric acidTartaric acidME797147-C0089817.32866659-
MaltotetraoseMaltotetraoseME796922-C0205217.33756171-
3-sulfopropanoate-ME797176--17.35120548-
N-Carbamoyl-L-aspartateCarbamoylaspartateME797217-C0043817.37918568-
Dihydro-NAMEDihydro-NAMEME797268-C1241817.4363267-
D-GlucarateGlucaric acidME797102-C0081817.59251116-
L-beta-aspartyl-L-asparticacid-ME797293--17.92884062-
Glu-Ala-AspGlu-Ala-AspME797239--17.95332717-
UDP-N-acetyl-2-amino-2-deoxy-D-glucuronate-ME797179-C0457318.38826558-
Ascorbalamic acid-ME797354--18.54877794-
cis-Aconitatecis-Aconitic acidME796959-C0041718.7143456-
OxalateOxalic acidME796896-C0020918.72947198-
SulfateSulfateME796933-C0005918.84600559-
PE(38:0)PE 38:0ME796788--18.8494553-
Limonoate D-ring-lactone-ME797367-C0351418.85672201-
PhaseollidinPhaseollidinME797358-C0523018.86188897-
Carbamoyl phosphateCarbamoylphosphateME796787-C0016918.90357781-
SulfoacetateSulfoacetic acidME796704-C1417919.07645522-
beta-Citryl-L-glutamic acidBeta-Citryl-glutamic acidME797210--20.15992948-
Citrate_3Citric acidME797098-C0015820.48488878-
Citrate_4Citric acidME797048-C0015821.02628872-
chromate-ME796828--21.6031056-
2,6-Dioxo-6-phenylhexanoate-ME797131-C0375021.94589535-
ArbutinArbutinME797125-C0618623.22255179-
PyrazinamidePyrazinamideME796873-C0195626.51006673-
PhytuberinPhytuberinME796861-C0970927.05886129-
Asp-Asp-Gly-Tyr-ME796832--27.07392782-
2-oxopropane sulfonate-ME796811--27.08593309-
Maleamate_1MaleamateME796797-C0159627.0875333-
Urocanate_1Urocanic acidME796837-C0078527.0880445-
Uracil_1UracilME796835-C0010627.10705553-
4-Imidazolone-5-acetate_1-ME796829-C0513327.10709425-
5-Hydroxypyrazinamide5-HydroxypyrazinamideME796869--27.10712206-
ThymineThymineME796807-C0017827.11032213-
Pyrazinamide_2PyrazinamideME796868-C0195627.11081645-
3-ureidoacrylate-ME796853--27.11576104-
FA methyl(8:0)_2-ME796821--27.11582208-
sinapoyltyramine-ME796858--27.11881097-
HydantoinHydantoinME796870-C0514627.12540541-
Decanoic acid_3Capric acidME796799-C0157127.1261499-
5,6-Dihydrouracil_5DihydrouracilME796855-C0042927.1303555-
[FA (11:0)] undecanoic acidUndecylic acidME796827--27.15101664-
Methanesulfonic acidMethanesulfonic acidME796871-C1114527.15807766-
CytosineCytosineME796943-C0038027.15858317-
Imidazole-4-methanol_2Imidazole-4-methanolME796860-C0556227.16017219-
Imidazole-4-acetaldehydeImidazole-4-acetaldehydeME796825-C0513027.16761658-
5,6-DihydrothymineDihydrothymineME796893-C0090627.17501655-
CitrateCitric acidME797050-C0015827.20477763-
PyrophosphatePyrophosphateME796865-C0001327.21136115-
OrthophosphatePhosphoric acidME796968-C0000927.24200005-
ADPADPME797044-C0000827.31501139-
ATPATPME797129-C0000227.31599453-
Trifluoroacetic acid_1-ME796834--27.31818346-
MetazocineMetazocineME796843-C1178927.37341105-
3-Oxododecanoic acid_13-Oxododecanoic acidME796760-C0236727.38564989-
Latia luciferinLatia luciferinME796818-C0229327.39258321-
Dodecanoic acidLauric acidME796790-C0267927.404422-
HeliamineHeliamineME796776-C0946027.41773315-
2S-Hydroxytetradecanoic acid2-Hydroxymyristic acidME796934-C1379027.4180778-
Bakkenolide ABakkenolide AME796913-C0935027.42568332-
Ile-Ala-Ser_2Ile-Ala-SerME796877--27.43126112-
FA hydroxy(15:0)-ME796888--27.44291667-
Octane-1,8-diol-ME796863-C1421827.44337775-
Arg-Leu-Lys-Thr_2-ME796839--27.44494439-
Dinoseb2-(1-Methylpropyl)-4,6-dinitrophenolME796889-C1430227.44698344-
chelidamate-ME796867--27.44899991-
FA oxo(16:0)-ME796857--27.4500278-
FA(16:0)Palmitic acidME796841-C0024927.46370565-
RishitinRishitinME796836-C0971527.46619982-
3-Hydroxyanthranilate3-Hydroxyanthranilic acidME796898-C0063227.46834459-
FA methyl(6:0)_2-ME796817--27.4722722-
[FA (18:1)] 9Z-octadecenoic acidOleic acidME796909-C0071227.47588894-
Hexanoic acid_1Caproic acidME796823-C0158527.47771681-
sodium dodecyl sulfateBlasticidin SME796856--27.47992215-
(S)-Reticuline(S)-ReticulineME796859-C0210527.48141669-
SenecionineSenecionineME796838-C0617627.48611118-
FA (17:0)Margaric acidME796816--27.48706672-
Tetradecanoic acid_2Myristic acidME796876-C0642427.48804999-
FA methyl(12:0) dodecanoic acid_2Lauric acidME796806--27.49113898-
Retronecine_2RetronecineME796904-C0617727.49361654-
Ile-Gly-ValIle-Gly-ValME796852--27.49465549-
FA hydroxy(16:0)] hexadecanoic acid-ME796781--27.49513896-
Pyruvate_1Pyruvic acidME796784-C0002227.4976555-
FA methyl(14:0)-ME796810-C1666527.50021139-
FA oxo(18:0)-ME796783--27.50531114-
SecobarbitalSecobarbitalME796845--27.50583347-
L-Tyrosine methyl esterMethyl tyrosinateME796786-C0340427.50832221-
UrateUric acidME796770-C0036627.50883904-
Eugenol methyl etherMethyleugenolME796926-C1045427.50936666-
Artemisin_1ArtemisinME796831-C0934427.51183336-
3-Hydroxy-palmitic acid methyl esterCyclopamineME796813-C1184927.51340542-
FA (8:0) octanoic acid_2Caprylic acidME796846-C0642327.51947252-
Butanoic acidButyric acidME796878-C0024627.53216668-
AlloxanAlloxanME796804--27.53369982-
Indole-3-ethanol_2TryptophanolME796840-C0095527.53372776-
1,8-Diazacyclotetradecane-2,9-dione1,8-Diazacyclotetradecane-2,9-dioneME796850-C0427727.54642795-
[FA oxo(8:0)] 3-oxo-octanoic acid_2-ME796910--27.54738349-
2-Isopropylmaleate_1IsopropylmaleateME796830-C0263127.55244432-
mercapto-2-propanol_1-ME796812--27.55909458-
2-Octenedioicacid_22-Octenedioic acidME796899--27.56209995-
2-(4-Methyl-5-thiazolyl)ethyl butanoate_2-ME796847--27.56421115-
parabanateParabanic acidME796791--27.57290554-
Methylimidazole acetaldehyde_1Methylimidazole acetaldehydeME796820-C0582727.57985582-
2-(4-Methyl-5-thiazolyl)ethyl propionate-ME796819--27.61179437-
alpha-Ironealpha-IroneME796864-C0969027.62041687-
2-Methyl-4-propyl-1,3-oxathiane2-Methyl-4-propyl-1,3-oxathianeME796822--27.62849996-
Brassicanal B-ME796880--27.74102756-
di-trans,poly-cis-undecaprenyl phosphate-ME796655--27.95148545-
4-ToluenesulfonamideToluene-4-sulfonamideME796875-C1441228.01858331-
3,5-Dichloro-4-hydroxy-2-methoxy-6-methylbenzoic a...-ME796777--28.04689996-
4-Hydroxy-3-nitrosobenzamide4-Hydroxy-3-nitrosobenzamideME796793-C1211428.2024667-
PhenolPhenolME796800-C0014628.46440538-
UrocanateUrocanic acidME796874-C0078528.79318332-
(+/-)-5-[(tert-Butylamino)-2'-hydroxypropoxy]-1,2,...-ME796798-C0487530.31692783-
Glycerol triundecanoateTG 11:0/11:0/11:0ME796665--3.105005537-
PG(35:1)PG 35:1ME796996--3.11219197-
PG(32:0)PG 32:0ME796892--3.114517857-
PG(33:0)PG 33:0ME797036--3.116072618-
PG(33:2)PG 33:2ME796941--3.116141972-
PG(34:0)PG 34:0ME797005--3.116679183-
PG(33:1)PG 33:1ME797004--3.117239512-
PG(31:0)PG 31:0ME797012--3.117255571-
PG(32:1)PG 32:1ME797006--3.117288886-
PG(35:0)PG 35:0ME797056--3.118375924-
PG(30:0)PG 30:0ME796906--3.120637032-
PG(29:0)PG 29:0ME797038--3.125119753-
PG(31:1)PG 31:1ME797011--3.125690733-
[PG (28:0)]PG 28:0ME796963--3.138639492-
PG(27:0)PG 27:0ME796764--3.139144445-
MG(0:0/24:1(15Z)/0:0)MG 0:0/24:1(15Z)/0:0ME796643--3.153800015-
PG(25:0)PG 25:0ME796744--3.159985191-
MG(0:0/22:1(13Z)/0:0)MG 0:0/22:1(13Z)/0:0ME796644--3.166634551-
[PG (24:0)]PG 24:0ME796808--3.182442113-
Propyl 1-(propylsulfinyl)propyl disulfide-ME796661--3.204795024-
alpha-Tocotrienolalpha-TocotrienolME796640-C141533.205361142-
HomophytanicacidHomophytanic acidME796664--3.21395359-
mercapto-2-propanol_3-ME796666--3.214898317-
FA (22:1)Docosenoic acidME796645-C083163.222053201-
[FA (21:2)] octadecenoic AcidOctadecenoic acidME796692--3.222543222-
13'-hydroxy-alpha-tocotrienol-ME796642--3.223647783-
(R,R)-Tartaric acid_1Tartaric acidME796651-C008983.226666684-
FA (20:0)Arachidic acidME796653-C064253.227186127-
Decanoic acid_1Capric acidME796667-C015713.250392227-
PG(20:0/0:0)LPG 20:0/0:0ME797170--3.251114117-
Trifluoroacetic acid_2-ME796780--3.258183882-
2-Dodecylbenzenesulfonic acid2-Dodecylbenzenesulfonic acidME796654--3.278499434-
FA dimethyl(20:3)-ME796669--3.282316052-
N-stearoyl GABAN-Stearoyl GABAME796700--3.283884571-
PG(19:0)PG 19:0ME797241--3.287518056-
FA methyl(18:0)-ME796652--3.28878835-
FA (20:1)Eicosenoic acidME796656--3.301089287-
N-arachidonoyl alanine-ME796722--3.303130868-
N-Undecylbenzenesulfonic acidN-Undecylbenzenesulfonic acidME796663--3.307786128-
FA (19:1)Nonadecenoic acidME796674--3.311604987-
Octadecanoic acidStearic acidME796662-C015303.331515571-
sodium dodecyl sulfate_1Blasticidin SME796716--3.335319451-
OctadecanalStearaldehydeME796745-C018383.338821435-
FA (17:0)_1Margaric acidME796658--3.345041682-
1-acyl-sn-glycero-3-phosphoglycerol (n-C18:0)-ME797115--3.348540742-
L-2-Hydroxyphytanate-ME796719-C029823.35823271-
[FA (18:1)] 9Z-octadecenoic acid_1Oleic acidME796720-C007123.364475021-
Myxalamid D-ME796705-C121613.368893225-
Retinyl esterRetinyl esterME796755-C020753.375407223-
FA(16:0)_1Palmitic acidME796687-C002493.382604455-
FA hydroxy(20:2)-ME796676--3.393679018-
[PG (16:0)] 1-hexadecanoyl-sn-glycero-3-phospho-(1...-ME796903--3.395826552-
LinoleateLinoleic acidME796765-C015953.396188863-
2-Octenedioicacid_12-Octenedioic acidME796748--3.400945002-
FA(16:1)Hexadecenoic acidME796833-C083623.401261664-
PG(17:0)PG 17:0ME797087--3.404203081-
FA methyl(16:1)-ME796735--3.409411096-
MG(18:0/0:0/0:0)MG 18:0/0:0/0:0ME796679--3.415595057-
Met-Trp-AspMet-Trp-AspME796920--3.420140266-
FA methyl(14:0)_1-ME796668-C166653.433398361-
OtonecineOtonecineME796641-C103563.43502889-
homocapsaicinHomocapsaicinME796677--3.440833951-
MG(0:0/16:0/0:0)MG 0:0/16:0/0:0ME796714--3.441201773-
PG(15:0/0:0)LPG 15:0/0:0ME796854--3.449241977-
4-8dimethylnonanoylcarnitine-ME797153--3.451186784-
Tetradecanoic acid_1Myristic acidME796762-C064243.462110579-
FA oxo(19:0)-ME796678--3.462210673-
[FA dimethyl(13:0)] 2,5-dimethyl-2E-tridecenoic ac...-ME796805--3.464368457-
FA oxo(16:0)_1-ME796723--3.464711668-
O-decanoyl-R-carnitineCAR 10:0ME797132-C032993.477099355-
3-Hydroxy-palmitic acid methyl ester_1CyclopamineME796717-C118493.482367282-
FA hydroxy(18:0)_1-ME796706--3.496491665-
(S)-2-Aceto-2-hydroxybutanoateAcetohydroxybutyric acidME796741-C060063.503452776-
FA (14:1) tetradecenoic acidTetradecenoic acidME796902--3.512171616-
Phytuberin_1PhytuberinME796670-C097093.519453328-
Dodecanoic acid_1Lauric acidME796763-C026793.523002218-
Eruberin A-ME796724--3.52340557-
FA hydroxy(16:0)] hexadecanoic acid_1-ME796731--3.525270004-
3-Hydroxy-cis-5-tetradecenoylcarnitineCAR 14:1;OHME796736--3.532278038-
MagnoshininMagnoshininME796740-C106583.532448163-
Rishitin_1RishitinME796693-C097153.536318325-
FA methyl(12:0) dodecanoic acid_1Lauric acidME796686--3.540910009-
2S-Hydroxytetradecanoic acid_12-Hydroxymyristic acidME796695-C137903.542573327-
3'-Deaminofusarochromanone-ME796754--3.550696511-
[ST methoxy,hydroxy(3:0)] 2-methoxy,3-hydroxy-estr...2-Methoxyestrone 3-glucuronideME797368-C111323.555223304-
Precocene 2Precocene IIME797348-C090183.559060431-
3-Methyl-2-oxobutanoic acid_1Ketoisovaleric acidME796738-C001413.561689445-
alpha-Irone_1alpha-IroneME796672-C096903.564942771-
2-Benzothiazolesulfonamide-ME796775-C141813.568617848-
Indan-1-olIndan-1-olME796728-C017103.57321111-
L-OctanoylcarnitineCAR 8:0ME796901-C028383.575685204-
methyl 8-[3,5-epidioxy-2-(3-hydroperoxy-1-pentenyl...-ME796753--3.580970001-
3-Oxododecanoic acid3-Oxododecanoic acidME796992-C023673.583492851-
DiacetylDiacetylME797206-C007413.590138273-
FA hydroxy(18:0)-ME796708--3.597107751-
Grayanotoxin IGrayanotoxin IME796729-C091033.601604339-
FA (8:1) octenal-ME796733--3.608747628-
2-trans,6-trans-Farnesal(2-trans,6-trans)-FarnesalME796701-C034613.64145501-
FA hydroxy(18:2)-ME796734--3.671318387-
6-endo-Hydroxycineole6-endo-HydroxycineoleME796711-C030923.680049406-
Decanoic acid_2Capric acidME796671-C015713.684039985-
FA oxo(12:1)_1TraumatinME796681-C163093.685577198-
[FA (5:2)] 2,4-pentadienoic acidbeta-Vinyl acrylic acidME796930--3.714707243-
[PS(18:1)] 1-(9Z-octadecenoyl)-sn-glycero-3-phosph...PS 18:1(9Z)/0:0ME796694--3.755499362-
PS(18:0)PS 18:0ME796702--3.758950598-
S-Propyl 1-propanesulfinothioate-ME796673--3.771088893-
Lys-Lys-Tyr-Tyr-ME796691--3.805479007-
Arg-Met-Arg-His_1-ME796699--3.808724062-
FA methyl(8:0)_1-ME796698--3.857387212-
PA(17:0/0:0)LPA 17:0/0:0ME796696--3.860264192-
[PI(16:0)] 1-hexadecanoyl-sn-glycero-3-phospho-(1'...-ME796684--3.879362959-
KhellinKhellinME796647-C090103.908519722-
(9S,10S)-10-Hydroxy-9-(phosphonooxy)octadecanoate-ME797111-C159893.938926286-
LysoPA(16:0)LPA 16:0ME796688-C004164.070830234-
1-Epideacetylbowdensine_1-ME796713-C121694.074083936-
Arg-Leu-Phe-Phe-ME796675--4.107628999-
FA (8:0) octanoic acid_1Caprylic acidME796690-C064234.131927219-
Lys-Lys-Trp-Pro-ME796682--4.165248748-
Zanthodioline-ME796931--4.185491962-
LysoPE(16:1)LPE 16:1ME796685--4.196889524-
LysoPE(16:0)LPE 16:0ME796680--4.201024072-
Gingerglycolipid C-ME796709--4.202140111-
His-Leu-Lys-Phe-ME796707--4.220316023-
Isovalerylglutamicacid-ME797288--4.266416666-
His-Lys-Phe-Val-ME796718--4.295474667-
LysoPE(0:0/14:0)LPE 0:0/14:0ME796721--4.309806146-
methionol3-(Methylthio)-1-propanolME796712--4.328667883-
Ile-PheIle-PheME796809--4.379428383-
Val-Val-ProVal-Val-ProME797307--4.424671781-
5-Hydroxyindoleacetate5-Hydroxyindoleacetic acidME796984-C056354.446371592-
Ala-Lys-Phe-His-ME797003--4.521674347-
Methylimidazoleacetic acidMethylimidazoleacetic acidME796882-C058284.532201131-
Ile-Tyr-ValIle-Tyr-ValME796789--4.552082727-
FA methyl(6:0)_1-ME796747--4.60226554-
Octane-1,8-diol_1-ME796751-C142184.625100538-
Ile-Ala-IleIle-Ala-IleME796768--4.639423417-
vanillylamineVanillylamineME796978-C166664.64099333-
Hexanoic acid_2Caproic acidME796742-C015854.667664998-
Phenylpropanoate_1Hydrocinnamic acidME796703-C056294.67610221-
[FA oxo(8:0)] 3-oxo-octanoic acid_3-ME796939--4.676973301-
PhenylpyruvatePhenylpyruvic acidME797150-C001664.679831662-
FA hydroxy(4:0) N-(3S-hydroxy-butanoyl)-homoserine...-ME797114-C118424.6807272-
GenipinGenipinME796862-C097804.681292759-
De-O-methylsimmondsin-ME797340--4.68231144-
LathodoratinLathodoratinME797007-C090124.686652222-
Lys-Phe-Thr-Thr-ME796715--4.688208947-
FA hydroxy(8:0) hydroxy-octanoic acid_2Hydroxyoctanoic acidME796879--4.688911675-
3-Hydroxysebacicacid3-Hydroxysebacic acidME796772--4.689455549-
Asn-Met-Phe-Val-ME796975--4.691046464-
4-Methyl-2-oxopentanoateKetoleucineME797085-C002334.695604435-
3-Hydroxy-carbofuran-ME797220--4.698021952-
VinylacetylglycineVinylacetylglycineME797032--4.698466627-
Shikimate_1Shikimic acidME796779-C004934.701700592-
[FA (7:0/2:0)] Heptanedioic acid_2Pimelic acidME796921-C026564.702616069-
Ile-Ser-ValIle-Ser-ValME797081--4.70499196-
Elenaic acid_1-ME796801--4.706016083-
ethyl-2-methylacetoacetate-ME796954--4.713168318-
Calystegin B2Calystegin B2ME797084-C108514.713495024-
2-Isopropylmaleate_2IsopropylmaleateME796849-C026314.720264994-
FA methyl(14:0) dodecanedioic acidDodecanedioic acidME796883--4.721566671-
Trifluoroacetic acid_3-ME796794--4.722497203-
DanieloneDanieloneME796866-C106744.723596107-
Lupinisoflavone G-ME796650--4.724231864-
L-Hypoglycin_1-ME796771-C082874.724899428-
Pyrrole-2-carboxylate_3Pyrrole-2-carboxylic acidME796950-C059424.732636108-
Asp-Met-Gln-His-ME797002--4.744695625-
Diethyl 2-methyl-3-oxosuccinate4-Heptenal diethyl acetalME796815-C040674.776834988-
threo-Syringoylglycerol-ME796782--4.804684991-
FA hydroxy(6:0)_2-ME797204--4.817606642-
MethocarbamolMethocarbamolME796737--4.848177219-
TG(56:13)TG 56:13ME796927--4.856769041-
4-Hydroxycinnamyl alcohol 4-D-glucoside-ME796774-C058554.88815723-
Phenyllactate_3Phenyllactic acidME797047-C056075.242595503-
FA hydroxy(6:0)-ME797009--5.336882765-
N-AcetylmethionineN-AcetylmethionineME797139-C027125.480616633-
Asn-Asp-Gln-Tyr-ME796956--5.519795698-
N-Acetyl-L-phenylalanineN-AcetylphenylalanineME796689-C035195.534854199-
PentanoateValeric acidME796935-C008035.566024407-
PhenyllactatePhenyllactic acidME797060-C056075.595000492-
phenoxy radical VII_1-ME796660--5.618276544-
2-oxo-5-chloro-4-pentenoate-ME796884--5.63342827-
Apigeninidin-ME796683-C085745.695828398-
5-Acetamidopentanoate_25-Acetamidovaleric acidME796929-C030875.762724457-
mercapto-2-propanol_2-ME796726--5.843436144-
Pentanoate_1Valeric acidME796710-C008035.908976627-
methylmethanesulfonateMethyl methanesulfonateME796908--6.732974055-
TG(56:13)_1TG 56:13ME796725--6.889565437-
sinapoyltyramine_2-ME796848--6.920713348-
ArtemisinArtemisinME796897-C093446.933195004-
5-methylthiopentanonitrile oxide-ME796919--6.943913303-
(S)-Reticuline_1(S)-ReticulineME796785-C021056.945334456-
FA (8:0) octanoic acidCaprylic acidME796942-C064236.950204993-
Tetradecanoic acidMyristic acidME796916-C064246.950580529-
(+/-)-5-[(tert-Butylamino)-2'-hydroxypropoxy]-1,2,...-ME796778-C048756.957695533-
LactucinLactucinME796915-C094896.958221096-
3-carboxy-4-methyl-5-propyl-2-furanpropanoic acid3-Carboxy-4-methyl-5-propyl-2-furanpropanoic acidME796946--6.962760586-
Coriandrone D-ME796924--6.971473863-
Trifluoroacetic acid-ME796887--6.975253889-
RetronecineRetronecineME797010-C061776.978697222-
Imidazole-4-methanolImidazole-4-methanolME796914-C055626.980861681-
Methylimidazole acetaldehydeMethylimidazole acetaldehydeME796940-C058276.981181641-
FA methyl(12:0) dodecanoic acidLauric acidME796928--6.982132772-
FA methyl(8:0)-ME796917--6.984414435-
FA methyl(6:0)-ME796960--6.985091654-
Hexanoic acidCaproic acidME797027-C015856.985189446-
Indole-3-ethanolTryptophanolME796890-C009556.986008335-
mercapto-2-propanol-ME796886--6.986524404-
FA oxo(12:1)TraumatinME796881-C163096.989962752-
Decanoic acidCapric acidME796936-C015716.992953339-
[FA hydroxy(11:2/11:2)] 2R,9R-dihydroxy-3S,4S,7S,8...DepdecinME797017--7.00356169-
Arg-Leu-Lys-Thr-ME796885--7.006934984-
Arg-Met-Arg-His-ME797107--7.009499359-
FA hydroxy(10:0)-ME797028--7.014737278-
Elenaic acid-ME796947--7.016203342-
2-(4-Methyl-5-thiazolyl)ethyl butanoate-ME796905--7.018597751-
[FA oxo(8:0)] 3-oxo-octanoic acid-ME797008--7.029324443-
Ile-Ala-SerIle-Ala-SerME797022--7.032379981-
Phenyllactate_2Phenyllactic acidME797213-C056077.052798292-
PhenylpropanoateHydrocinnamic acidME797062-C056297.053149448-
Pyrrole-2-carboxylatePyrrole-2-carboxylic acidME796977-C059427.054912211-
2-Octenedioicacid2-Octenedioic acidME796991--7.055955505-
FA hydroxy(6:0)_3-ME797192--7.057867771-
PantetheinePantetheineME797331-C008317.064413614-
Pentanoate_2Valeric acidME796851-C008037.066102787-
3-Methyl-2-oxobutanoic acidKetoisovaleric acidME797046-C001417.073191681-
Dihydro-4,4-dimethyl-2,3-Furandione2-DehydropantolactoneME796993-C011257.073229421-
Suberic acidSuberic acidME796971-C082787.076639998-
[FA (7:0/2:0)] Heptanedioic acidPimelic acidME797001-C026567.078656108-
acinetobactin-ME796911--7.080680013-
Ile-Ile-SerIle-Ile-SerME796795--7.080847488-
UracilUracilME797029-C001067.080955048-
4-Imidazolone-5-acetate-ME796894-C051337.081555566-
1-Epideacetylbowdensine-ME796766-C121697.081979615-
FA hydroxy(9:0) hydroxy-nonanoic acid-ME796988--7.084494409-
(Z)-3-(1-Formyl-1-propenyl)pentanedioic acid-ME796976--7.086867794-
BenzoateBenzoic acidME796759-C001807.087658895-
(S)-1-Pyrroline-5-carboxylate_21-Pyrroline-5-carboxylic acidME797099-C039127.091962772-
Phe-TyrPhe-TyrME797049--7.093503147-
5-Hydroxypentanoate5-Hydroxyvaleric acidME797215-C028047.095520579-
FA (12:1) Decenedioic acidDecenedioic acidME796961--7.097405582-
N-D-GlucosylarylamineN-D-GlucosylarylamineME796907-C031427.097949965-
Ile-Gly-Val_2Ile-Gly-ValME796842--7.098616679-
Ile-Met-SerIle-Met-SerME796761--7.099542594-
FA methyl(16:0)] tetradecanedioic acid-ME796945--7.100708025-
phenoxy radical VII-ME796697--7.101250637-
3-Hydroxy-carbofuran_2-ME797264--7.101795069-
Semilepidinoside A-ME796758--7.10225914-
5-Methoxytryptophan5-MethoxytryptophanME797110--7.102352491-
L-isoleucyl-L-prolineIle-ProME796999--7.102371009-
Trp-GlyTrp-GlyME797103--7.102912375-
(1R,6R)-6-Hydroxy-2-succinylcyclohexa-2,4-diene-1-...-ME797169-C058177.104532721-
(S)-AMPAAmpaME797177-C136727.10463643-
TG(53:4)TG 53:4ME796659--7.104850016-
4-Hydroxyphenylacetaldehyde4-HydroxyphenylacetaldehydeME796750-C037657.106255595-
nt find-ME797030-#N/A7.106650001-
d-biotin d-sulfoxide-ME796953--7.107991989-
N2-Acetyl-L-aminoadipateN-Acetyl-2-aminoadipic acidME797232-C129867.108831957-
Ile-Pro-SerIle-Pro-SerME797116--7.109156818-
5,6-DihydrouracilDihydrouracilME797072-C004297.10916665-
beta-Cymaropyranosebeta-CymaropyranoseME797334-C082347.110340856-
dihydrothymidine5,6-DihydrothymidineME797246--7.110602339-
S-(3-oxo-3-carboxy-n-propyl)cysteineS-(3-Oxo-3-carboxy-n-propyl)cysteineME797324--7.111951842-
L-alpha-glutamyl-L-hydroxyproline-ME797337--7.112360382-
ThymidineThymidineME796982-C002147.112531516-
2-IsopropylmaleateIsopropylmaleateME796974-C026317.113092787-
5-Acetamidopentanoate5-Acetamidovaleric acidME796972-C030877.114007806-
MaleimideMaleimideME797019-C072727.114656677-
Adenine_3AdenineME797138-C001477.115846693-
FA hydroxy(8:0) hydroxy-octanoic acidHydroxyoctanoic acidME796932--7.11685223-
Ala-Val-Gly-Pro-ME796646--7.116924976-
2-hydroxy-4-methylthiobutanoate2-Hydroxy-4-(methylthio)butanoic acidME797290--7.117016674-
Imidazol-5-yl-pyruvate-ME797039-C032777.11932112-
PGP(16:0/16:0)-ME796757--7.120519134-
alpha-N-Phenylacetyl-L-glutaminealpha-N-PhenylacetylglutamineME797104-C041487.122791337-
2,2-Dimethyl-3-(4-methoxyphenyl)-4-ethyl-7-hydroxy...-ME797362-C151617.124121384-
Ile-Ala-ThrIle-Ala-ThrME797123--7.124592553-
2-hydroxy-3-carboxy-4,5-cyclopropylhex-5-enoate-ME796948--7.12774331-
Ala-Ala-Ala-Arg-ME796912--7.128472825-
4-Pyridoxolactone4-PyridoxolactoneME797080-C009717.130507202-
Nnal-N-oxideNNAL-N-oxideME796648-C196037.131492384-
PA(35:0)PA 35:0ME797321--7.136592765-
N-Formyl-L-methionineN-FormylmethionineME797152-C031457.191725253-
MaleamateMaleamateME797066-C015967.23523446-
5-Hydroxy-L-tryptophan5-Hydroxy-tryptophanME797113-C006437.24264078-
13-[O(2')-β-D-glucopyranosyl-β-D-glucopyranosylo...-ME797313--7.245522496-
2-Oxobutanoate_33-Methyl pyruvic acidME797189-C001097.268033362-
3-(Methylthio)propionic acid3-Methyl-thiopropionic acidME796937-C082767.320736711-
AdenineAdenineME797083-C001477.463639425-
4-Imidazolone-5-propanoate4-Imidazolone-5-propionic acidME796826-C036807.471415575-
Butanoic acid_1Butyric acidME796792-C002467.548615536-
(R)-2,3-Dihydroxy-3-methylpentanoate-ME797041-C060077.561111111-
Hydantoin-5-propionate_2Hydantoin-5-propionic acidME797249-C055657.57294399-
Thr-Ser-Ser_2Thr-Ser-SerME797332--7.729193483-
Pyrimidine nucleosidePyrimidine nucleosideME797064-C031697.796187676-
DeoxyuridineDeoxyuridineME797097-C005267.814865433-
4-Hydroxy-4-methylglutamate(2S,4S)-4-Amino-2-hydroxy-2-methylpentanedioic acidME797013-C060347.83170247-
4-Oxoglutaramate4-Oxoglutaramic acidME797053-C055727.836474948-
3,3'-Thiobispropanoic acid_23,3'-Thiobispropanoic acidME797302--7.857204107-
3-Hydroxyhexobarbital3'-HydroxyhexobarbitalME797031-C030688.01925062-
DeoxymannojirimycinDeoxymannojirimycinME797175-C101418.103766039-
Ile-Ser-ThrIle-Ser-ThrME797034--8.125277182-
3-Oxohexobarbital3-OxohexobarbitalME797015-C025178.175841362-
4-Methylene-L-glutamate-ME797174-C006518.189062788-
Asp-Leu-Met-Pro-ME796739--8.198230137-
AnthragallolAnthragallolME797273-C102978.218733354-
Asp-Cys-Ser-His-ME797258--8.291678459-
Asp-Cys-Gly-His-ME797322--8.297976475-
Asn-Pro-Tyr-His-ME797323--8.303219515-
5-Aminolevulinate5-Amino-levulinic acidME797077-C004308.309031152-
Met-Phe-AspMet-Phe-AspME797091--8.316985783-
Asn-Trp-Asp-Gly-ME797319--8.328247092-
Met-Ser-SerMet-Ser-SerME796967--8.34409385-
Asn-Gln-Gln-Pro-ME797144--8.40061913-
Ala-Ser-Tyr-Arg-ME797320--8.401932603-
Methylthiomethyl 2-methylbutanethiolate-ME797225--8.407066108-
Ala-Asp-Cys-His-ME797295--8.40804891-
Ikarisoside A-ME797024--8.420244457-
(R)-3-Hydroxybutanoate3R-Hydroxybutyric acidME797240-C010898.439392175-
3-(4-Hydroxyphenyl)pyruvate4-Hydroxyphenylpyruvic acidME797092-C011798.472227761-
Glu-Ile-ValGlu-Ile-ValME797055--8.494953146-
(2S,4S)-Monatin_1-ME796769--8.506355549-
Adenine_4AdenineME797090-C001478.538856659-
Glu-Met-ValGlu-Met-ValME797118--8.585853181-
dihydrothymidine_25,6-DihydrothymidineME797279--8.733466657-
Polystachin (flavone)-ME797214--8.76437957-
3,3'-Thiobispropanoic acid3,3'-Thiobispropanoic acidME797000--8.765753023-
Pyruvate_2Pyruvic acidME797079-C000228.79445833-
(1xi,3xi)-1,2,3,4-Tetrahydro-1-methyl-beta-carboli...-ME796969--8.863376457-
Hydantoin-5-propionateHydantoin-5-propionic acidME797161-C055658.980621564-
4-Methyldibenzothiophene-ME797093--8.992717338-
4-Oxoglutaramate_24-Oxoglutaramic acidME797094-C055728.995985582-
Lepidine E-ME797119--9.014102437-
3',5-Dihydroxy-3,4',7-trimethoxyflavoneAyaninME797339-C044449.062638474-
4-HydroxyphenylacetylglycineHydroxyphenylacetylglycineME797164-C055969.079145539-
furaneol glucopyranoside-ME797143--9.136723758-
IminoaspartateIminoaspartic acidME796796-C058409.25589253-
Glu-Ile-Val_1Glu-Ile-ValME796752--9.256142623-
1-Isothiocyanatopentane-ME796949--9.290513554-
a Cysteine adduct-ME797231--9.341222881-
Dephospho-CoA3'-Dephospho-CoAME796955-C008829.35862472-
CastanospermineCastanospermineME797136-C022569.365001119-
Glu-Thr-ThrGlu-Thr-ThrME797261--9.400343756-
Tsangane L 3-glucoside-ME796966--9.449352756-
[FA (11:0/2:0)] Undecanedioic acidUndecanedioic acidME796995--9.514106615-
3-Methoxy-4-hydroxyphenylglycolaldehyde_23-Methoxy-4-hydroxyphenylglycolaldehydeME797234-C055839.517945165-
Acrylic acid-2-acrylamido-2-methyl propane sulfoni...-ME797163--9.541518562-
Uracil_2UracilME796756-C001069.578072171-
Glu-Asp-PheGlu-Asp-PheME796727--9.598030863-
(R)-2,3-Dihydroxy-3-methylbutanoate(R)-2,3-Dihydroxy-isovalerateME797216-C042729.607688938-
PyruvatePyruvic acidME796986-C000229.611607293-
Asp-Leu-Asp-Pro-ME797328--9.620135889-
Glu-Glu-GluGlu-Glu-GluME796957--9.631697591-
L-Aspartate 4-semialdehydeAspartate-semialdehydeME797068-C004419.643852878-
UridineUridineME796743-C002999.644750035-
MelicopicineMelicopicineME797142-C107229.647388478-
(-)-ArctigeninArctigeninME797052-C105459.650504972-
N-Methyl-2-pyrrolidinone2-PyrrolidinoneME797054-C111189.65468377-
(2S,4S)-Monatin-ME796891--9.674414176-
Ala-Glu-Ala-Glu-ME797312--9.67636122-
4'-Demethyldeoxypodophyllotoxin-ME797315-C105529.692631158-
Ala-Asp-Gly-Pro_2-ME797200--9.795809258-
Asp-Cys-Pro-Ser-ME797303--9.803016561-
3-Deoxy-D-manno-octulosonate_2-ME797351-C011879.867573446-
Aspartyl-L-proline_1Asp-ProME796814--9.890978401-


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