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Analysis: ESI negative ion mode

SelectMetabolite Name RefMet Name/Standardized Name* WorkBench
Metabolite_ID		 PubChem
Compound_ID		 Kegg Id Retention
time/index		 m/z ratio
1-Pyrroline-2-carboxylate/ (S)-1-Pyrroline-5-carbo...1-Pyrroline-2-carboxylic acidME698556-C03564; C03912; C04322; C07275;-112.04
(1R,2S)-1-Hydroxypropane-1,2,3-tricarboxylate(0.78...-ME698559-C00451; C00679; C02780; C03600; C03921; C04575; C04617;-191.02
2,3-Diphosphoglyceric acid2,3-Diphosphoglyceric acidME698441186004C01159-264.953
2,7-Anhydro-alpha-N-acetylneuraminic acid/ 2-Deoxy...-ME698555-C04521; C04580; C08341;-290.088
2-Hydroxybutyric acid2-Hydroxybutyric acidME69844211266C05984-103.041
2-Hydroxyglutaric acid2-Hydroxyglutaric acidME69844343C02630,C01087,C03196-147.03
2-Hydroxyvaleric acid2-Hydroxyvaleric acidME69844498009--117.055
2-Phosphinomethylmalate-ME698554-C17947;-211.002
2-Phosphoglyceric acid2-Phosphoglyceric acidME69844559C00631-184.986
3-Hydroxybutyric acid3-Hydroxybutyric acidME698446441C01089,C03197-103.041
3-Phenylpropionic acidHydrocinnamic acidME698447107C05629-149.06
3-Phosphoglyceric acid3-Phosphoglyceric acidME698448724C00197-184.986
3-Sulfino-L-alanine3-Sulfino-alanineME6985531549098C00606;-152.002
5-Hydroxypentanoate5-Hydroxyvaleric acidME698552-C02804;-117.055
(5-L-Glutamyl)-L-glutamine/ N-Succinyl-L-citrullin...-ME698558-C05283; C18048;-274.105
5-OxoprolinePyroglutamic acidME698449499C01879-128.036
6-endo-Hydroxycineole(1.76); (E)-3,7-Dimethylocta-...-ME698551-C03092; C04433; C07276; C09790; C16462; C17621; C18020; C18027; C18066;-169.123
6-Phosphogluconic acid6-Phosphogluconic acidME69845091493C00345-275.019
9-Oxononanoic acid9-Oxo-nonanoic acidME698550-C16322;-171.102
Acetyl CoA_divalentAcetyl-CoAME698451444493C00024-403.557
Adenylosuccinic acidAdenylsuccinic acidME698452-C03794-462.069
Adipic acidAdipic acidME698453196C06104-145.05
ADPADPME6984546022C00008-426.024
ADP-glucose/GDP-fucose-ME698455-C00498;C00325-588.077
Alatolide/ Arctiopicrin-ME698549-C09290; C09297;-349.163
AMPAMPME6984566083C00020-346.057
Ascorbate 2-sulfate-ME698457-C02812-254.982
Ascorbic acidVitamin CME69845854670067C00072-175.025
ATPATPME6984595957C00002-505.99
cAMP3',5' cyclic AMPME6984606076C00575-328.047
CDP-cholineCDP-cholineME698461-C00307-487.102
cis-Aconitic acidcis-Aconitic acidME698462643757C00417-173.009
Citric acidCitric acidME698463311C00158-191.019
CMPCMPME6984646131C00055-322.046
CoA_divalentCoenzyme AME698465-C00010-382.551
D-Alanyl-D-alanine/ N5-Methyl-L-glutamine/ N-gamma...-ME698548-C00993; C03153; C06442; C10996;-159.078
Decanoic acidCapric acidME6984662969C01571-171.139
D-Glucosamine 6-phosphate(-1.15); 1-Amino-1-deoxy-...Glucosamine 6-phosphateME698547-C00352; C01283; C03783; C06156; C06377; C12213; C12214;-258.039
Dihydroxyacetone phosphateDihydroxyacetone phosphateME698467668C00111-168.991
D-myo-Inositol 1,2-cyclic phosphate/ 6-Deoxy-5-ket...Inositol cyclic phosphateME698546-C04299; C16848;-241.013
D-Xylonate/ L-Arabinonate/ D-Arabinonate/ D-Ribona...Xylonic acidME698545-C00502; C00545; C00878; C01685; C05411; C05412; C16353; C16357; C16358;-165.04
D-Xylulose 5-phosphate/alpha-D-Ribose 1-phosphate/...Xylulose 5-phosphateME698544-C00231; C00620; C01112;-229.013
Ethanolamine phosphatePhosphoethanolamineME6984681015C00346-140.012
EvoxanthidineEvoxanthidineME698543442899C10668;-268.06
FAD_divalentFADME698469643975C00016-391.573
Fructose 1,6-diphosphateFructose 1,6-bisphosphateME698470172313C00354-338.99
Fructose 6-phosphateFructose 6-phosphateME69847169507C05345,C00085-259.023
Fructoselysine 6-phosphate(-7)Fructoselysine 6-phosphateME698542-C16489;-387.12
Fumaric acidFumaric acidME698472444972C00122-115.004
gamma-L-Glutamyl-D-alaninegamma-L-Glutamyl-D-alanineME698541-C03738;-217.084
GDPGDPME6984738977C00035-442.018
GDP-glucose/GDP-mannose/GDP-galactose-ME698474-C00394;C00096;C02280-604.071
Glucaric acidGlucaric acidME69847533037C00767,C00818-209.031
Gluconic acidGluconic acidME69847610690C00257-195.051
Glucose 1-phosphateGlucose 1-phosphateME69847765533C00103-259.023
Glucose 6-phosphateGlucose 6-phosphateME6984785958C00668,C01172,C00092-259.023
Glucuronic acidGlucuronic acidME69847994715C00191-193.036
Glyceric acidGlyceric acidME698480439194C00258-105.019
Glycerol 3-phosphatesn-Glycero-3-phosphateME698481439162C00093-171.007
Glycocholic acidGlycocholic acidME69848210140C01921-464.303
Glycyl-leucine/ N6-Acetyl-L-lysine/ 6-Acetamido-3-...Gly-LeuME698540-C02155; C02727; C03846; C12989;-187.108
GMPGMPME6984836804C00144-362.052
GTPGTPME6984846830C00044-521.985
Heptanoic acidHeptylic acidME6984858094C05799-129.092
Hexanoic acidCaproic acidME6984868892C01585-115.076
Hippuric acidHippuric acidME698487464C01586-178.051
Homovanillic acidHomovanillic acidME6984881738C05582-181.051
Hyoscyamine methylbromide-ME698539-C13109;-382.102
IMPIMPME6984898582C00130-347.04
Inosine/ 2(alpha-D-Mannosyl)-D-glycerateInosineME698538-C00294; C11544;-267.073
Isethionic acid2-HydroxyethanesulfonateME6984907866C05123-124.992
Isopimpinellin/ Glycerophosphoglycerol/ 2,3',4,6-T...IsopimpinellinME698537-C02162; C03274; C06355; C09285;-245.045
Isosorbide mononitrate/ O-Oxalylhomoserine/ Nitril...-ME698536-C07714; C08294; C14695;-190.036
Lactic acidLactic acidME698491107689C00186,C00256,C01432-89.025
Lauric acidLauric acidME6984923893C02679-199.171
Malic acidMalic acidME698493222656C00149,C00497,C00711-133.014
myo-Inositol 1-phosphate/myo-Inositol 3-phosphate-ME698494-C01177;C04006-259.023
N2-(D-1-Carboxyethyl)-L-lysineD-LysopineME698534-C04020;-217.119
N-(6-Aminohexanoyl)-6-aminohexanoate/ Leucyl-leuci...-ME698535-C01255; C11332;-243.172
N-Acetylaspartic acidN-Acetylaspartic acidME69849565065C01042-174.04
N-Acetylglucosamine 1-phosphateN-Acetyl-D-glucosamine 1-phosphateME698496440272C04256-300.05
N-Acetylglucosamine 6-phosphateN-Acetyl-glucosamine 6-phosphateME698497439219C00357-300.05
N-Acetylglutamic acidN-Acetylglutamic acidME69849870914C00624-188.056
N-Acetyl-L-citrullineN-AcetylcitrullineME698533-C15532;-216.099
N-Acetylneuraminic acidN-Acetylneuraminic acidME698499444885C00270-308.1
NAD+NAD+ME69850010897651C00003-662.103
NADP+NADP+ME6985015886C00006-742.068
Octanoic acidCaprylic acidME698502379C06423-143.108
Orthophosphate/ Potassium acetatePhosphoric acidME698532-C00009; C12554;-96.97
Pantothenic acidPantothenic acidME698503988C00864-218.103
Pelargonic acidPelargonic acidME6985048158C01601-157.123
PhosphocreatinePhosphocreatineME698505587C02305-210.028
Phosphoenolpyruvic acidPhosphoenolpyruvic acidME6985061005C00074-166.976
Phthalic acidPhthalic acidME6985071017C01606-165.02
Prostaglandin E2PGE2ME6985085280360C00584-351.219
Psorospermin(0)/ S-[2-(N7-Guanyl)ethyl]-N-acetyl-L...PsorosperminME698531-C10090; C14877; C17473;-339.088
Pterin/ 3-Hydroxy-L-glutamate/ 4-Hydroxy-L-glutama...-ME698530-C00715; C03066; C03079; C05947;-162.041
Pyruvic acidPyruvic acidME6985091060C00022-87.01
Ribose 5-phosphateRibose 5-phosphateME698510439167C00117-229.013
Ribulose 5-phosphateRibulose 5-phosphateME698511439184C00199,C01101-229.012
Sedoheptulose 7-phosphateSedoheptulose 7-phosphateME698512165007C05382-289.034
S-Glutathionyl-L-cysteineS-Glutathionyl-cysteineME698529-C05526;-425.083
(S)-N-Methylcanadine(S)-N-MethylcanadineME698557439844C02915;-353.161
Succinic acidSuccinic acidME6985131110C00042-117.019
Taurocholic acidTaurocholic acidME6985146675C05122-514.286
Taurodeoxycholate/ Taurochenodeoxycholate/ Taurour...Taurodeoxycholic acidME698528-C05463; C05465; C16868;-498.291
Thiomorpholine 3-carboxylateThiomorpholine-3-carboxylic acidME698527440159C03901;-146.029
Threonic acidThreonic acidME698515151152C01620-135.03
Trovafloxacin/ Daidzin/ Chrysophanol 8-O-beta-D-gl...TrovafloxacinME698526-C07664; C10216; C10316; C10346; C10524; C15580; C17719;-415.104
UDPUDPME6985166031C00015-402.997
UDP-glucose/UDP-galactose-ME698517-C00029;C00052-565.05
UDP-glucuronic acidUDP-glucuronic acidME69851817473C00167-579.028
UDP-N-acetylglucosamineUDP-N-acetylglucosamineME698519445675C00043-606.075
UMPUMPME6985206030C00105-323.03
Uric acidUric acidME6985211175C00366-167.021
UTPUTPME6985226133C00075-482.963
Valeric acidValeric acidME6985237991C00803-101.061
XanthineXanthineME6985241188C00385-151.026
XanthosineXanthosineME69852564959C01762-283.069


Analysis: ESI positive ion mode

SelectMetabolite Name RefMet Name/Standardized Name* WorkBench
Metabolite_ID		 PubChem
Compound_ID		 Kegg Id Retention
time/index		 m/z ratio
1,2,3,4,6,7,8,9-Octachlorodibenzofuran/-ME698780-C18113;-440.752
16alpha-Bromo-17beta-estradiol(0)/-ME698781-C14731;-351.095
?1-Methyl-2-pyrrolidoneN-Methylpyrrolidin-2-oneME698560-C11118-100.076
1-Methyl-4-imidazoleacetic acidMethylimidazoleacetic acidME69856175810C05828-141.065
1-Methyladenosine1-MethyladenosineME69856227476C02494-282.118
1-Methylhistamine1-MethylhistamineME6985633614C05127-126.102
1-Methylhistidine1-MethylhistidineME69856492105C01152-170.092
1-Methylnicotinamide1-Methyl nicotinamideME698565457C02918-137.07
1-Pyrroline 5-carboxylic acid1-Pyrroline-5-carboxylic acidME698566-C03912-114.055
2-Aminoadipic acidalpha-Aminoadipic acidME698567469C00956-162.075
2-Aminobutyric acid2-Aminobutyric acidME6985686657C02261;C02356-104.071
2-Methylserine2-MethylserineME69856994309C02115-120.065
2-PhenylethylaminePhenylethylamineME6985701001C05332-122.096
3,4-Dehydrothiomorpholine-3-carboxylate/-ME698783-C04445;-146.027
3-Aminoisobutyric acid3-Aminoisobutanoic acidME69857164956C03284;C05145-104.071
3-beta-D-Galactosyl-sn-glycerol/ Dyphylline/ 2-(be...GalactosylglycerolME698784-C05401; C07819; C11546;-255.106
3-(Pyrazol-1-yl)-L-alanine/3-(Pyrazol-1-yl)-L-alanineME698782-C01162;-156.076
4-Aminobenzoate/ 4-Nitrotoluene/-ME698786-C00568; C14394;-138.055
4-(Trimethylammonio)but-2-enoate/-ME698785-C04114;-144.101
5,6-Dihydrothymine/ gamma-Amino-gamma-cyanobutanoa...DihydrothymineME698787-C00906; C05715; C05717;-129.065
5-Aminovaleric acid5-Aminopentanoic acidME698572138C00431-118.086
5-Hydroxylysine5-HydroxylysineME6985733032849C16741-163.107
5-Phosphonooxy-L-lysine/ 2-Deoxystreptamine phospa...-ME698788-C03366; C03828; C03980; C16743;-243.073
6alpha-Fluoro-11beta,17-dihydroxypregn-4-ene-3,20-...-ME698789-C15172; C15380;-365.21
Acetylcysteine/N-AcetylcysteineME698790-C06809;-164.037
AdenineAdenineME698574190C00147-136.061
AdenosineAdenosineME69857560961C00212-268.103
ADMADimethylarginineME698576123831C03626-203.149
AlaAlanineME6985775950C00041;C00133;C01401-91.058
Ala-AlaAla-AlaME6985785484352C00993-161.092
Ala-Arg/Arg-Ala-ME698579----
Ala-Asn/Asn-Ala/Gly-Gln-ME698580----
Ala-Asp/Asp-Ala-ME698581----
Ala-Gly/Gly-Ala-ME698582----
Ala-His/His-Ala-ME698583----
Ala-LysAla-LysME698584---218.149
Ala-MetAla-MetME698585---221.095
Ala-Ser/Thr-Gly-ME698586----
Ala-Thr/Thr-Ala-ME698587----
Ala-Tyr/Phe-Ser/Tyr-Ala-ME698588----
Ala-Val/Ile-Gly/Leu-Gly/Val-Ala-ME698589----
Anthranilic acid2-Aminobenzoic acidME698590227C00108-138.054
ArgArginineME6985916322C00062;C00792-175.118
Arg-Asn/Asn-Arg-ME698592---289.16
Arg-GlnArg-GlnME698593---303.176
Arg-Glu/Glu-Arg-ME698594----
Arg-Gly/Gly-Arg-ME698595----
Arg-Ile/Arg-Leu/Leu-Arg-ME698596----
Argininosuccinic acidArgininosuccinic acidME69859716950C03406-291.129
Arg-Ser/Ser-Arg-ME698598----
Arg-ThrArg-ThrME698599---276.166
Arg-Tyr/Tyr-Arg-ME698600----
Arg-ValArg-ValME698601---274.186
AsnAsparagineME6986026267C00152;C01905;C16438-133.06
Asn-GluAsn-GluME698603---262.101
Asn-Ile/Asn-Leu/Ile-Asn/Leu-Asn/Val-Gln-ME698604----
Asn-Lys/Lys-Asn-ME698605----
Asn-Ser/Ser-Asn-ME698606----
Asn-Thr/Ser-Gln/Thr-Asn-ME698607----
Asn-Val/Val-Asn-ME698608----
AspAspartic acidME6986095960C00049;C00402;C16433-134.045
Asp-LysAsp-LysME698610---262.138
Asp-Ser/Ser-Asp-ME698611----
Atherospermidine/AtherospermidineME69879177514C09347;-306.075
beta-Alanyl-L-lysine/ gamma-L-Glutamylputrescine/-ME698792-C05341; C15699;-218.149
BetaineBetaineME698612247C00719-118.086
Betaine aldehyde_+H2OBetaine aldehydeME698613249C00576-120.101
BetonicineBetonicineME698614164642C08269-160.096
?-Butyrobetaine3-DehydroxycarnitineME698777725C01181-146.117
Butyrylcarnitine/IsobutyrylcarnitineCAR 4:0ME698615-C02862--
CarnitineCarnitineME698616288C00318;C00487;C15025-162.112
CarnosineCarnosineME698617439224C00386-227.113
CholineCholineME698618305C00114-104.107
cis-4-Hydroxyprolinecis-4-HydroxyprolineME698619440015C03440-132.065
CitrullineCitrullineME6986209750C00327-176.102
CreatineCreatineME698621586C00300-133.079
CreatinineCreatinineME698622588C00791-114.066
Cryptolepine/-ME698793-C09142;-233.109
CysCysteineME698623115015C00097;C00736;C00793-122.027
CystathionineCystathionineME698624439258C00542;C02291-223.074
Cysteine glutathione disulfideS-Glutathionyl-cysteineME6986253080690C05526-427.094
CystineCystineME698626595C00491;C01420-241.03
CytidineCytidineME6986276175C00475-244.094
CytosineCytosineME698628597C00380-112.05
Dehydrocostus lactone/ Eremanthin/ Dehydromyodesmo...Dehydrocostus lactoneME698794-C09387; C09406; C09658; C15134; C16943; C16960; C16988; C17913;-231.139
DIBOA-glucoside/-ME698795-C15772;-344.099
Dicyclohexylamine/N,N-DicyclohexylamineME698796-C14686;-182.19
ErgothioneineErgothioneineME6986293032311C05570-230.095
EthanolamineEthanolamineME698630700C00189-62.061
Fagomine/FagomineME69879772259C10144;-148.096
Fortimicin KL1/-ME698798-C17973;-353.205
Fructoselysine/-ME698799-C16488;-309.166
GABAgamma-Aminobutyric acidME698631119C00334-104.071
GlnGlutamineME6986325961C00064;C00303;C00819-147.076
Gln-Thr/Thr-Gln-ME698633----
GluGlutamic acidME69863433032C00025;C00217;C00302-149.063
GluconolactoneGluconolactoneME6986357027C00198-179.054
GlucosamineGlucosamineME698636441477C00329-180.086
?-Glu-CysGlu-CysME698778-C00669-251.068
Glu-GluGlu-GluME698637-C01425-277.103
Glu-Ile/Glu-Leu/Ile-Glu/Leu-Glu-ME698638----
Glu-Lys/Lys-Glu-ME698639----
Glu-SerGlu-SerME698640---235.091
Glutathione (GSH)GlutathioneME698641-C00051-308.091
Glutathione (GSSG)_divalentOxidized glutathioneME698642-C00127-307.082
Glu-Tyr/Tyr-Glu-ME698643----
GlyGlycineME698644750C00037-77.042
Gly-AsnGly-AsnME698645---190.081
Glycerophosphocholinesn-Glycero-3-phosphocholineME698646657272C00670-258.109
Gly-GlyGly-GlyME69864783095C02037-133.061
Gly-His/His-Gly-ME698648----
Gly-Ile/Gly-Leu-ME698649----
Gly-Lys/Lys-Gly-ME698650----
Gly-Met/Met-Gly-ME698651----
Gly-Thr/Ser-Ala-ME698652----
Gly-ValGly-ValME69865397417--175.108
Guanidinosuccinic acidGuanidinosuccinic acidME698654439918C03139-176.066
Guanidoacetic acidGuanidoacetic acidME698655763C00581-118.061
GuanineGuanineME698656764C00242-152.06
GuanosineGuanosineME6986576802C00387-284.098
HisHistidineME6986586274C00135;C00768;C06419-156.076
HistamineHistamineME698659774C00388-112.087
His-Thr/Thr-His-ME698660----
HomoserineHomoserineME69866112647C00263-120.066
HomoserinelactoneHomoserine lactoneME698662---102.055
Homospermidine/ Aminopropylcadaverine/-ME698800-C06366; C16565;-160.18
HordenineHordenineME69866368313C06199-166.122
HydroxyprolineHydroxyprolineME69866411137200C01157-132.065
HypotaurineHypotaurineME698665107812C00519-110.027
HypoxanthineHypoxanthineME698666790C00262-137.045
IleIsoleucineME6986676306C00407;C06418;C16434-132.101
Ile-Ala/Leu-Ala-ME698668----
Ile-Arg_divalentIle-ArgME698669---144.605
Ile-Asp/Leu-Asp-ME698670----
Ile-Gln/Leu-Gln-ME698671----
Ile-Lys/Lys-Ile/Lys-Leu/Leu-Lys-ME698672----
Ile-Ser/Ser-Ile/Ser-Leu/Thr-Val/Val-Thr-ME698673----
Ile-Thr/Thr-Ile/Thr-Leu-ME698674----
Ile-ValIle-ValME6986757408133--231.169
Imidazolelactic acidImidazolelactic acidME698676459122C05568-157.06
InosineInosineME6986776021C00294-269.087
Isopropylamine/IsopropylamineME698801-C06748;-60.081
IsovalerylcarnitineCAR 4:0;3MeME6986786426851--246.169
KynurenineKynurenineME698679161166C00328;C01718-209.091
LeuLeucineME6986806106C00123;C01570;C16439-132.102
Leu-HisLeu-HisME698681---269.159
Leu-Ile/Leu-Leu-ME698682----
Leu-PheLeu-PheME6986836992310--279.169
LidocaineLidocaineME6986843676C07073-235.179
L-Norleucine/ 6-Aminohexanoate/ -beta-Leucine/ bet...-ME698802-C01933; C02378; C02486; C08263; C16647;-132.101
LysLysineME6986854153392C00047;C00739;C16440-147.112
Lys-AlaLys-AlaME698686---218.149
Lys-GlnLys-GlnME698687---275.171
Lys-Phe/Phe-Lys-ME698688----
Lys-Ser/Ser-Lys-ME698689----
Lys-Tyr/Tyr-Lys-ME698690----
Lys-ValLys-ValME698691---246.18
Maculosin/Cyclo(Pro-Tyr)ME698803-C10605;-261.126
MalonylcarnitineCAR DC3:0ME69869271464475--248.112
Melicopine/MelicopineME698804-C10724;-314.103
MetMethionineME6986936137C00073;C00855;C01733-150.058
Met-GlnMet-GlnME698694---278.115
Methaphenilene/MethaphenileneME698805-C11113;-261.144
Methionine sulfoxideMethionine sulfoxideME698695847C02989-166.053
Methyldopa anhydrous/ Enicoflavine/-ME698806-C07194; C09946;-212.091
MetronidazoleMetronidazoleME6986964173C07203-172.071
Met-ThrMet-ThrME698697---251.106
N1-Methyl-4-pyridone-5-carboxamideN1-Methyl-4-pyridone-3-carboxamideME698699-C05843-153.065
N5-EthylglutamineN(5)-Ethyl-glutamineME698700-C01047-175.107
N6-AcetyllysineN6-AcetyllysineME698701265949C02727-189.122
N6-MethyllysineN(6)-MethyllysineME698702164795C02728-161.128
N8-AcetylspermidineN8-AcetylspermidineME698703123689C01029-188.175
N-Acetyl-D-fucosamine/ N-Acetyl-D-quinovosamine/-ME698807-C14501;-261.138
N-AcetylgalactosamineN-Acetyl-D-galactosamineME69870435717C01132-222.096
N-AcetylhistidineN-AcetylhistidineME69870575619C02997-198.087
N-Acetyl-L-citrulline/N-AcetylcitrullineME698808-C15480; C15481;-206.102
Nagilactone C/ Vernolide/ Gibberellin A8-catabolit...N-AcetylcitrullineME698809-C15532;-218.113
N-EthylglycineN-EthylglycineME698706316542C11735-104.071
Neuraminic acid/ Miserotoxin/Nagilactone CME698810-C09138; C09583; C11870;-363.15
NicotinamideNiacinamideME698707936C00153-123.055
N-Methylethanolamine phosphate/ D-1-Aminopropan-2-...N-Methylethanolamine phosphateME698811-C06469; C08507;-268.102
NMNNicotinamide ribotideME69870814180C00455-335.063
N,N-DimethylglycineDimethylglycineME698698673C01026-104.071
NoradrenalineXi-NorepinephrineME698709951C00547-170.081
Norfloxacin/NorfloxacinME6988124539C01210; C04122; C04126;-156.041
O-AcetylcarnitineCAR 2:0ME6987101C02571-204.122
OctanoylcarnitineCAR 8:0ME698711123701C02838-288.215
Ophthalmic acidOphthalmic acidME6987127018721--290.133
OrnithineOrnithineME6987136262C00077;C00515;C01602-133.097
Oxotremorine/ Isoproturon/ Monoethylglycinexylidid...NorfloxacinME698813-C06687;-320.145
Pantetheine 4'-phosphate/Pantetheine 4'-phosphateME698814987C07485; C11005; C16561;-207.148
PhePhenylalanineME6987146140C00079;C02057;C02265-166.086
Phe-Arg_divalentPhe-ArgME698715---161.597
Phe-AsnPhe-AsnME698716---280.127
Phe-GlnPhe-GlnME698717---294.146
Phe-ThrPhe-ThrME698718---267.133
Phe-ValPhe-ValME698719---265.154
PhosphorylcholineCholine phosphateME698720135437C00588-184.073
Pipecolic acidPipecolic acidME698721849C00408-130.086
Prenyl-L-cysteine/-ME698815-C01134;-359.102
ProProlineME698722145742C00148;C00763;C16435-116.071
Pro-AlaPro-AlaME698723---187.107
Pro-Arg_divalentPro-ArgME698724---136.59
Pro-SerPro-SerME698725---203.101
Pro-ValPro-ValME698726---215.138
PutrescinePutrescineME6987271045C00134-89.107
Pyridoxamine 5'-phosphatePyridoxamine 5'-phosphateME6987281053C00647-249.063
(R)-1-Aminopropan-2-ol/ 1-Aminopropan-2-ol/-ME698779-C03194; C05771;-76.076
RanitidineRanitidineME6987293001055C07233-315.148
RU-0211/ 6alpha-Fluoro-17-hydroxypregn-4-ene-3,20-...-ME698816-C06751;-190.088
SaccharopineSaccharopineME698730160556C00449-277.138
S-AdenosylhomocysteineS-AdenosylhomocysteineME698731439155C00021-385.128
S-AdenosylmethionineS-AdenosylmethionineME69873234755C00019-399.144
S-Allyl-L-cysteine/-ME698817-C13707; C15310;-391.227
SarcosineSarcosineME6987331088C00213-90.055
SDMASymmetric dimethylarginineME698734169148--203.149
SerSerineME6987355951C00065;C00716;C00740-106.05
Ser-Gly/Gly-Ser-ME698736----
Ser-HisSer-HisME698737---243.108
Ser-SerSer-SerME698738---193.081
Ser-ThrSer-ThrME698739---207.097
S-MethylglutathioneS-MethylglutathioneME698740115260C11347-322.106
SpermidineSpermidineME6987411102C00315-146.165
SpermineSpermineME6987421103C00750-203.222
ß-Alabeta-AlanineME698776-C00099-90.055
StachydrineStachydrineME6987437016563C10172-144.101
TaurineTaurineME6987441123C00245-126.022
ThiamineThiamineME6987451130C00378-265.111
Thiaproline-ME698746---134.027
Thiomorpholine 3-carboxylate/Thiomorpholine-3-carboxylic acidME698818440159C16759;-162.058
ThrThreonineME6987476288C00188;C00820-120.065
Thr-Asp/Asp-Thr/Ser-Glu-ME698748----
Thr-GluThr-GluME698749---249.106
Thr-LysThr-LysME698750---248.16
Thr-ThrThr-ThrME698751---221.114
Thr-Tyr/Tyr-Thr-ME698752----
ThymineThymineME6987531135C00178-127.05
trans-Glutaconic acidGlutaconic acidME6987545280498C02214-131.034
TrigonellineTrigonellineME6987555570C01004-138.055
TrimethylamineTrimethylamineME6987561146C00565-60.081
Trimethylamine N-oxideTrimethylamine N-oxideME6987571145C01104-76.076
TrpTryptophanME6987586305C00078;C00525;C00806-205.096
TyrTyrosineME6987596057C00082;C01536;C06420-182.081
TyramineTyramineME6987605610C00483-138.09
Tyr-Arg_divalentTyr-ArgME698761---169.594
Tyr-GlnTyr-GlnME698762---310.138
Tyr-GlyTyr-GlyME698763---239.102
Tyr-HisTyr-HisME698764---319.139
UracilUracilME6987651174C00106-113.035
UreaUreaME6987661176C00086-61.04
Urethane/ 2-Nitropropane/ HMMF/Thiomorpholine-3-carboxylic acidME698819-C03901;-148.042
UridineUridineME6987676029C00299-245.076
Urocanic acidUrocanic acidME698768736715C00785-139.049
ValValineME6987696287C00183;C06417;C16436-118.086
Val-Arg_divalentVal-ArgME698770---137.597
Val-AspVal-AspME698771---233.112
Val-GluVal-GluME698772---247.128
Val-Gly/N-Acetylornithine-ME698773----
Val-HisVal-HisME698774---255.144
Val-LysVal-LysME698775---246.18
Vulgaxanthin-II/ Psorospermin/ S-[2-(N7-Guanyl)eth...-ME698820-C01537; C02116; C11488;-90.055


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