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Analysis: Reversed phase NEGATIVE ION MODE

SelectMetabolite Name RefMet Name/Standardized Name* WorkBench
Metabolite_ID		 PubChem
Compound_ID		 Kegg Id Retention
time/index		 m/z ratio
16:0-18:0 PC (M+CL)-PC 16:0_18:0ME20793918631368-25.612761.597
16:0 LYSO PC (M+CL)-LPC 16:0ME207938460602-22.289495.334
18:0 LYSO-PE (M-H)-LPE 18:0ME2079409547068-22.69481.3177
2-DEOXY-D-GLUCOSE (M+CL)-2-Deoxy-glucoseME207943439268-0.692164.0657
2'-DEOXYINOSINE (M+CL)-DeoxyinosineME20794165058-2.096252.0883
2'-DEOXYINOSINE (M-H)-DeoxyinosineME20794265058-2.101252.0853
2-HYDROXY-3-METHYLBUTYRIC ACID (M-H)-2-Hydroxy-3-methylbutyric acidME207944853180-3.548118.0627
2-HYDROXY-4-(METHYLTHIO)BUTYRIC ACID (M-H)-2-Hydroxy-4-(methylthio)butanoic acidME20794511427-3.401150.0349
2-HYDROXYBUTYRIC ACID (M-H)-2-Hydroxybutyric acidME20794611266-1.742104.0471
2-METHYLMALEIC ACID #2 (M-H)-Citraconic acidME207947643798-2.378130.0265
2-METHYLMALEIC ACID (M-H)-Citraconic acidME207948643798-1.843130.0261
3-(4-HYDROXYPHENYL)LACTIC ACID (2M-H)-Hydroxyphenyllactic acidME207949440177-3.857182.0605
3-(4-HYDROXYPHENYL)LACTIC ACID (M-H)-Hydroxyphenyllactic acidME207950440177-3.859182.0572
3-(4-HYDROXYPHENYL)PYRUVIC ACID (M-H)-4-Hydroxyphenylpyruvic acidME207951979-2.765180.0439
3-HYDROXY-3-METHYLGLUTARIC ACID (M-H)-3-Hydroxymethylglutaric acidME2079521662-1.647162.052
3-HYDROXYKYNURENINE (M-H)-HydroxykynurenineME20795311811-1.199224.0801
3-METHYL-2-OXOPENTANOIC ACID (M-H)-3-Methyl-2-oxovaleric acidME207954440877-4.476130.0627
3-UREIDOPROPIONIC ACID (M-H)-Ureidopropionic acidME207955111-0.893132.0518
4-COUMARIC ACID (M-H)-cis-p-Coumaric acidME207956637542-6.983164.0469
4-HYDROXYBENZOIC ACID (M-H)-4-Hydroxybenzoic acidME207957135-4.107138.0311
4-HYDROXYPHENYLACETIC ACID (M-H)-4-Hydroxyphenylacetic acidME207958127-4.764152.0461
4-METHYL-2-OXOPENTANOIC ACID (M-H)-KetoleucineME20795970-4.888130.0628
4-NITROPHENOL (M-H)-4-NitrophenolME207960980-7.105139.0266
4-PYRIDOXIC ACID (M-H)-4-Pyridoxic acidME2079616723-1.907183.0523
5-HYDROXYINDOLEACETIC ACID (M-H)-5-Hydroxyindoleacetic acidME2079631826-4.172191.0608
5-HYDROXYTRYPTOPHAN (M-H)-5-Hydroxy-tryptophanME207964439280-1.794220.0828
5-METHYLTETRAHYDROFOLIC ACID (M-H)-5-Methyl-THFME2079659825434-3.712459.1885
5'-METHYLTHIOADENOSINE (M+CL)-5'-MethylthioadenosineME207962439176-4.481297.0894
5-OXOPROLINE (M-H)-Pyroglutamic acidME2079667405-1.2129.0419
ADENOSINE 5'-MONOPHOSPHATE (2M-H)+AMPME2079676083-0.936347.0687
ADENOSINE 5'-MONOPHOSPHATE (M-H)-AMPME2079686083-0.935347.0609
ADENOSINE 5'-PHOSPHOSULFATE (M-H)-Adenosine phosphosulfateME20796910238-0.671427.0133
ADIPIC ACID (M-H)-Adipic acidME207970196-3.6146.0582
ADP-RIBOSE (M-H)-ADP-riboseME20797133576-0.863559.0666
ALLANTOIN (M-H)-AllantoinME207972439714-0.655158.043
ALLOPREGNANOLONE (M+CL)-[-H2O]3alpha-Hydroxy-5alpha-pregnan-20-oneME20797392787-20.914318.2591
ARACHIDIC ACID (M-H)-Arachidic acidME20797410467-23.646312.3026
ARACHIDONATE #2 (M-H)-Arachidonic acidME207975444899-22.855304.2407
ARACHIDONIC ACID (M-H)-Arachidonic acidME207976444899-22.731304.2406
ASPARAGINE (M-H)-AsparagineME2079776267-0.601132.0528
ASPARTIC ACID (M-H)-Aspartic acidME2079785960-0.622133.0369
AZELAIC ACID (M-H)-Azelaic acidME2079792266-10.857188.1044
BEHENIC ACID (M-H)-Behenic acidME2079808215-24.185340.3338
BENZOIC ACID #2 (M-H)-Benzoic acidME207981243-8.407122.0368
BENZOIC ACID (M-H)-Benzoic acidME207982243-4.982122.0366
BILIVERDIN (M-H)-BiliverdinME2079835280353-18.696582.2504
BIOTIN (M-H)-BiotinME20798411966127-6.34244.0879
BIS-GAMMA-GLUTAMYLCYSTINE (M-H)-Bis-gamma-glutamylcystineME20798590657696-0.961498.1037
C12 GALACTOSYL(BETA) CERAMIDE (D18:1/12:0) (M+CL)--ME20798646891735-23.219643.5007
CAPRYLIC ACID (M-H)-Caprylic acidME207987379-10.167144.1146
CHOLESTEROL HYDROGEN SULFATE (M-H)-Cholesterol sulfateME20798865076-23.885466.312
CHOLIC ACID (M+CL)-Cholic acidME207989221493-20.498408.2868
CHOLIC ACID (M-H)-Cholic acidME207990221493-20.498408.2874
CIS-11-EICOSENOIC ACID (M-H)-cis-Gondoic acidME2079915282768-23.294310.2874
CITRAMALIC ACID (M-H)-Citramalic acidME207992441696-1.277148.0368
CITRIC ACID (M-H)-Citric acidME207993311-1.039192.0256
CITRULLINE (M-H)-CitrullineME2079949750-0.629175.0956
CORTICOSTERONE (M+CL)-CorticosteroneME2079955753-15.528346.2142
CORTISOL 21-ACETIC ACID (M+CL)-Cortisol 21-acetateME2079965744-15.786404.2243
CREATINE (M-H)-CreatineME207997586-0.657131.0674
CYSTINE (M-H)-CystineME2079986857538-0.641240.0244
CYTIDINE 5'-DIPHOSPHOCHOLINE (2M-H)-CDP-cholineME20800013804-0.562488.1168
CYTIDINE 5'-DIPHOSPHOCHOLINE (M+CL)-CDP-cholineME20800113804-0.677488.1029
CYTIDINE (M+CL)-CytidineME2079996175-0.688243.0812
DECANOIC ACID (M-H)-Capric acidME2080052969-19.952172.1459
DEHYDROASCORBIC ACID (M+CL)-L-Dehydroascorbic acidME208006440667-0.712174.0146
DEHYDROASCORBIC ACID (M-H)-L-Dehydroascorbic acidME208007440667-0.709174.0142
DEHYDROEPIANDROSTERONE SULFATE (M-H)-Dehydroepiandrosterone sulfateME20800812594-15.278368.1696
DEOXYADENOSINE (M+CL)-DeoxyadenosineME20800913730-1.924251.1028
DEOXYCHOLIC ACID (M+CL)-Deoxycholic acidME208010222528-21.772392.2908
DEOXYCHOLIC ACID (M-H)-Deoxycholic acidME208011222528-21.766392.2926
DEOXYURIDINE (M+CL)-DeoxyuridineME20801213712-1.669228.0741
DEOXYURIDINE (M-H)-DeoxyuridineME20801313712-1.692228.0733
DGDP (M-H)-dGDPME208014439220-1.143427.0236
D-GLUCOSAMINE 6-SULFATE (M-H)-[-H2O]Glucosamine 6-sulfateME2080033330962-0.648259.0344
D-GLUCOSAMINE (M+CL)-GlucosamineME208002439213-0.727179.0787
D-GLUCOSE 6-PHOSPHATE (M-H)-Glucose 6-phosphateME2080045958-0.707260.0265
DIETHYLSTILBESTROL (M-H)-DiethylstilbestrolME208015448537-18.86268.1512
DIHYDROOROTIC ACID (M-H)-Dihydroorotic acidME2080161149667-0.704158.0328
DIHYDROXYFUMARIC ACID (M-H)-(E)-2,3-Dihydroxybut-2-enedioic acidME20801754678503-0.733147.9998
DIPALMITOYL PHOSPHATIDYLETHANOLAMINE (M-H)-PE 16:0/16:0ME208018445468-24.769691.5152
DOCOSAHEXAENOIC ACID (M-H)-Docosahexaenoic acidME208019445580-22.712328.2406
DUMP (M-H)-dUMPME20802065063-0.984308.046
EPIBRASSINOLIDE [ISTD] (M+CL)-24-epi-BrassinolideME208021115196-19.957480.345
ERUCIC ACID (M-H)-cis-Erucic acidME2080225281116-23.725338.3184
ETHANOLAMINE PHOSPHATE (M-H)-PhosphoethanolamineME2080231015-0.756141.0185
ETHYLMALONIC ACID (M-H)-Ethylmalonic acidME20802411756-2.85132.0411
FUMARIC ACID (2M-H)-Fumaric acidME208025444972-1.26116.011
FUMARIC ACID (M-H)-Fumaric acidME208026444972-1.254116.0108
GALACTARIC ACID (M-H)-Galactaric acidME2080273037582-0.687210.0386
GDPMANNOSE (M-H)-GDP-mannoseME20802818396-0.773605.0741
GERANYL DIPHOSPHATE (M-H)-Geranyl diphosphateME208029445995-14.209314.0726
GLUCONIC ACID (M-H)-Gluconic acidME20803010690-0.646196.0575
GLUCOSE (M+CL)-GlucoseME2080315793-0.64180.0626
GLUCURONIC ACID (M-H)-Glucuronic acidME20803294715-0.635194.0411
GLUTAMIC ACID (M-H)-Glutamic acidME20803333032-0.639147.0534
GLUTAMINE (M-H)-GlutamineME2080345961-0.602146.0698
GLUTARIC ACID (M-H)-Glutaric acidME208035743-2.075132.0417
GLUTATHIONE (OXIDIZED) (M-H)-GlutathioneME20803665359-1.385612.1512
GLYCEROL 2-PHOSPHATE (M-H)-sn-Glycero-2-phosphateME2080372526-0.821172.0128
GLYCEROL MYRISTATE (M+CL)-MG 14:0ME20803879050-22.079302.2435
GLYCOCHOLIC ACID (M-H)-Glycocholic acidME20803910140-19.012465.3089
GLYOXYLIC ACID (M-H)-Glyoxylic acidME208040760-0.67974
GUANINE (M-H)-GuanineME208041764-0.878151.0469
GUANOSINE 5'-PHOSPHATE (M-H)-GMPME2080446804-0.979363.0543
GUANOSINE (M+CL)-GuanosineME2080426802-1.814283.0928
GUANOSINE (M-H)-GuanosineME2080436802-1.833283.0912
HEPTADECANOIC ACID (M-H)-Margaric acidME20804510465-23.034270.2555
HEXACOSANOIC ACID (M-H)-Cerotic acidME20804610469-25.719396.3974
HIPPURIC ACID (M-H)-Hippuric acidME208047464-4.864179.0578
HOMOSERINE (M-H)-HomoserineME20804812647-0.621119.0582
HOMOVANILLIC ACID (2M-H)-Homovanillic acidME2080491738-5.787182.0586
HOMOVANILLIC ACID (M-H)-Homovanillic acidME2080501738-5.789182.0564
HYODEOXYCHOLIC ACID (M-H)-Hyodeoxycholic acidME2080515283820-22.867392.2953
HYPOXANTHINE (M-H)-HypoxanthineME208052790-1.096136.0381
INOSINE 5'-DIPHOSPHATE (M-H)-IDPME2080556831-0.764428.0099
INOSINE 5'-PHOSPHATE (M-H)-IMPME2080568582-0.985348.0471
INOSINE (M+CL)-InosineME2080536021-1.844268.0809
INOSINE (M-H)-InosineME2080546021-1.844268.0809
ISOCITRIC ACID (M-H)-Isocitric acidME2080575318532-0.695192.0242
ISOLEUCINE (M-H)-IsoleucineME2080586306-1.624131.0939
KYNURENIC ACID (M-H)-Kynurenic acidME2080593845-5.024189.0418
KYNURENINE (M-H)-KynurenineME208060161166-2.23208.0832
L-[15N]ANTHRANILIC ACID [ISTD] (M-H)-2-Aminobenzoic acidME208066227-5.381138.0444
L-ARGININE (M-H)-ArginineME2080616322-0.61174.1126
LAURIC ACID (M-H)-Lauric acidME2080673893-21.811200.1771
L-CARNITINE (M+CL)-CarnitineME20806210917-0.651161.1043
L-FUCOSE 1-PHOSPHATE (2M-H)-Fucose 1-phosphateME208063439871-0.69244.0322
L-HISTIDINE (M-H)-HistidineME2080646274-0.593155.0687
LIGNOCERIC ACID (M-H)-Lignoceric acidME20806811197-24.891368.3649
LINOLEIC ACID (M-H)-Linoleic acidME2080695280450-22.747280.2404
L-TRYPTOPHAN-15N2 [ISTD] (M-H)-TryptophanME20806516217285-3.686206.0838
LYSINE (M-H)-LysineME2080705962-0.536146.1051
LYSOPHOSPHATIDIC ACID (M-H)--ME2080713988-25.366436.2535
MALEIC ACID (M-H)-Maleic acidME208073444266-1.11116.011
MALIC ACID (M-H)-Malic acidME208075222656-0.843134.0207
MALIC ACID (M-H)+[-H2O]Malic acidME208074222656-0.822134.0215
MALONIC ACID (M-H)-Malonic acidME208076867-0.841104.0098
MANDELIC ACID (M-H)-Mandelic acidME20807711914-5.719152.0466
METHIONINE (M-H)-MethionineME2080786137-0.855149.0484
METHYL BETA-D-GALACTOSIDE (M+CL)-Methyl beta-D-galactosideME20807994214-0.894194.0773
METHYLMALONIC ACID (M-H)-Methylmalonic acidME208080487-1.529118.0264
MEVALONIC ACID (M-H)-Mevalonic acidME208081439230-1.556148.0712
M-HYDROXYMANDELIC ACID (2M-H)-3-Hydroxymandelic acidME20807286957-2.105168.0419
MYRISTIC ACID (M-H)-Myristic acidME20808211005-22.479228.2086
MYRISTOLEIC ACID (M-H)-Myristoleic acidME2080835281119-22.163226.1925
N-ACETYL-ASPARTIC ACID (M-H)-N-Acetylaspartic acidME20808465065-0.979175.0469
N-ACETYL-D-GLUCOSAMINE (M+CL)-N-Acetyl-D-glucosamineME208085446101-0.671221.0866
N-ACETYL-DL-METHIONINE (M-H)-N-AcetylmethionineME208087448580-4.119191.0613
N-ACETYL-DL-SERINE (M-H)-N-AcetylserineME20808865249-0.803147.0516
N-ACETYL-D-TRYPTOPHAN (M-H)-N-Acetyl-D-tryptophanME208086439917-8.036246.0998
N-ACETYLGLYCINE (M-H)-N-AcetylglycineME2080921097-0.918117.0408
N-ACETYL-L-ALANINE (M-H)-N-AcetylalanineME20808988064-1.514131.0577
N-ACETYL-L-LEUCINE (M-H)-N-AcetylleucineME20809075619-7.26173.1046
N-ACETYL-L-PHENYLALANINE (M-H)-N-AcetylphenylalanineME20809174839-7.808207.0906
N-ACETYLNEURAMINIC ACID (M-H)-N-Acetylneuraminic acidME208093444885-0.68309.1025
NAD (M-H)-NAD+ME2080965893-1.002663.1075
N-AMIDINO-ASPARTIC ACID (M+CL)+[-H2O]Guanidinosuccinic acidME208094439918-0.656175.0628
NERVONIC ACID (M-H)-Nervonic acidME2080975281120-24.26366.3499
N-FORMYLGLYCINE (M-H)-N-FormylglycineME20809575606-0.646103.0257
NICOTINAMIDE HYPOXANTHINE DINUCLEOTIDE (M-H)-Nicotinamide purin-6-ol-dinucleotideME208098440334-1.009664.083
OLEIC ACID (M-H)-Oleic acidME208100445639-22.949282.2564
OMEGA-HYDROXYDODECANOIC ACID (M-H)-12-Hydroxy lauric acidME20810179034-17.143216.1717
OROTIC ACID (M-H)-Orotic acidME208102967-0.852156.0153
O-SUCCINYL-L-HOMOSERINE (M-H)-o-SuccinylhomoserineME208099439406-0.97219.073
OXALIC ACID (M-H)-Oxalic acidME208103971-0.63789.9962
OXALOACETIC ACID (M-H)-[-H2O]Oxaloacetic acidME208104970-0.564132.0035
PALMITIC ACID (M-H)-Palmitic acidME208105985-22.868256.2405
PALMITOLEIC ACID (M-H)-Palmitoleic acidME208106445638-22.614254.2247
PANTOTHENIC ACID (M+CL)-Pantothenic acidME2081076613-3.315219.1102
PANTOTHENIC ACID (M-H)-Pantothenic acidME2081086613-3.317219.1108
PHENYLALANINE (M-H)-PhenylalanineME2081096140-2.553165.0789
PHENYLPYRUVIC ACID (M-H)-Phenylpyruvic acidME208110997-5.496164.0458
PHTHALIC ACID (M-H)-Phthalic acidME2081111017-4.919166.0261
PHYTANIC ACID (M-H)-Phytanic acidME20811210380830-23.303312.2981
PIMELIC ACID (M-H)-Pimelic acidME208113385-5.789160.0729
PROPENOIC ACID (M-H)-Propenoic acidME2081146581-1.24772.0217
PROTOPORPHYRIN (M-H)-ProtoporphyrinME2081154971-22.954562.2579
PURINE (M-H)-PurineME2081161044-1.469120.0428
PYRUVIC ACID (M-H)-Pyruvic acidME2081171060-0.68888.0159
RAFFINOSE (M+CL)-RaffinoseME208118439242-0.699504.1644
RETINOIC ACID (M-H)-Retinoic acidME208119444795-22.339300.2128
RIBITOL (M+CL)-RibitolME20812094154-0.642152.0662
RIBOFLAVIN (M+CL)-RiboflavinME208121493570-7.686376.1409
RIBOFLAVIN (M-H)-RiboflavinME208122493570-7.687376.1377
RIBOSE 5-PHOSPHATE (M-H)-Ribose 5-phosphateME208124439167-0.647230.0176
RIBOSE (M+CL)-RiboseME2081235779-0.665150.0505
S-ADENOSYL-L-HOMOCYSTEINE (M-H)-S-AdenosylhomocysteineME208125439155-1.355384.1271
SEBACIC ACID (M-H)-Sebacic acidME2081265192-12.852202.1198
SERINE (M-H)-SerineME208127617-0.605105.0409
SN-GLYCERO-3-PHOSPHOCHOLINE (M+CL)-sn-Glycero-3-phosphocholineME208128439285-0.626257.1003
STACHYOSE (M+CL)-StachyoseME208129439531-0.697666.2209
STACHYOSE (M-H)-StachyoseME208130439531-0.809666.2137
STEARIC ACID (M-H)-Stearic acidME2081315281-23.218284.2718
SUBERIC ACID (M-H)-Suberic acidME20813210457-8.36174.0885
SUCCINIC ACID (M-H)-Succinic acidME2081331110-1.328118.0267
SUCROSE (M+CL)-SucroseME2081345988-0.677342.1137
TAURINE (M-H)-TaurineME2081351123-0.612125.015
THEOPHYLLINE (M-H)-TheophyllineME2081362153-4.375180.062
THYMIDINE 5'-MONOPHOSPHATE (M-H)-TMPME20813912803287-1.569322.0585
THYMIDINE (M+CL)-ThymidineME2081375789-2.783242.09
THYMIDINE (M-H)-ThymidineME2081385789-2.785242.0894
THYMINE (M-H)-ThymineME2081401135-1.713126.0419
TRANS-ACONITIC ACID (M-H)-trans-Aconitic acidME208141444212-1.21174.0165
TRICARBALLYLIC ACID (M-H)-1,2,3-Propanetricarboxylic acidME20814214925-1.277176.0301
TRICARBALLYLIC ACID (M-H)-[-H2O]1,2,3-Propanetricarboxylic acidME20814314925-1.385176.0291
TRICOSANOIC ACID (M-H)-Tricosylic acidME20814417085-24.501354.3491
TRIDECANOIC ACID (M-H)-Tridecylic acidME20814512530-22.147214.1922
TRYPTOPHAN (2M-H)-TryptophanME2081466305-3.689204.0887
TRYPTOPHAN (M-H)-TryptophanME2081476305-3.683204.0861
TYROSINE (M-H)-TyrosineME2081486057-1.349181.0731
UDP-GLUCOSE (M-H)-UDP-glucoseME20814953477679-1.196566.0555
UDP-N-ACETYL-D-GALACTOSAMINE (M-H)-UDP-N-acetylgalactosamineME20815123724461-0.908607.0808
UDP-N-ACETYL-D-GALACTOSAMINE (M-H)+[-H2O]UDP-N-acetylgalactosamineME20815023724461-0.794607.076
UDP-N-ACETYL-D-GLUCOSAMINE (M-H)-UDP-N-acetylglucosamineME208152445675-1.208607.0814
URACIL 5-CARBOXYLIC ACID (M-H)-Uracil-5-carboxylic acidME2081546971263-1.266156.019
URACIL (M-H)-UracilME2081531174-0.939112.0272
URIC ACID (M-H)-Uric acidME2081551175-1.005168.0278
URIDINE-5-MONOPHOSPHATE (M-H)-UMPME2081586030-0.856324.034
URIDINE (M+CL)-UridineME2081566029-1.365244.0691
URIDINE (M-H)-UridineME2081576029-1.371244.0689
UROCANIC ACID (M-H)-Urocanic acidME208159736715-0.933138.042
VALINE (M-H)-ValineME2081606287-0.856117.0767
XANTHINE (M-H)-XanthineME2081611188-1.282152.0332
XANTHOSINE 5'-PHOSPHATE (M-H)-XMPME20816373323-1.028364.0451
XANTHOSINE (M-H)-XanthosineME20816264959-2.38284.0756
ZEATIN [ISTD] (M+CL)-trans-ZeatinME208164449093-3.899219.1113
ZEATIN [ISTD] (M-H)-trans-ZeatinME208165449093-3.904219.1117


Analysis: Reversed phase POSITIVE ION MODE

SelectMetabolite Name RefMet Name/Standardized Name* WorkBench
Metabolite_ID		 PubChem
Compound_ID		 Kegg Id Retention
time/index		 m/z ratio
10-HYDROXYDECANOIC ACID (M+H)+[-H2O]10-Hydroxydecanoic acidME2081706991989-13.57188.1413
16:0-18:0 PC (M+H)+PC 16:0_18:0ME20817318631368-25.575761.596
16:0-18:0 PC (M+NA)+PC 16:0_18:0ME20817418631368-25.542761.5973
16:0 LYSO PC (M+H)+LPC 16:0ME208171460602-22.279495.3331
16:0 LYSO PC (M+NA)+LPC 16:0ME208172460602-22.278495.3321
18:0 LYSO-PE (2M+H)+LPE 18:0ME2081759547068-22.68481.3112
18:0 LYSO-PE (2M+NA)+LPE 18:0ME2081769547068-22.68481.3095
18:0 LYSO-PE (M+H)+LPE 18:0ME2081779547068-22.681481.3181
18:0 LYSO-PE (M+NA)+LPE 18:0ME2081789547068-22.677481.3178
1-AMINOCYCLOPROPANE-1-CARBOXYLIC ACID (M+H)+1-Aminocyclopropanecarboxylic acidME208167535-0.983101.0472
1-METHYLXANTHINE (M+H)+1-MethylxanthineME20816880220-2.529166.0476
1-METHYLXANTHINE (M+NA)+1-MethylxanthineME20816980220-2.526166.0465
20:0 LYSO PC (M+H)+LPC 20:0ME20818924779473-23.002551.3964
20:0 LYSO PC (M+NA)+LPC 20:0ME20819024779473-22.988551.3985
24:0 SM (D18:1/24:0) (M+H)+SM 18:1;O2/24:0ME20819144260127-27.899814.7089
25-HYDROXYCHOLESTEROL (M+H)+[-H2O]25-HydroxycholesterolME20819265094-22.787402.3446
2-AMINOETHYL DIHYDROGEN PHOSPHATE (M+H)+PhosphoethanolamineME2081811015-0.613141.0178
2-AMINOETHYL DIHYDROGEN PHOSPHATE (M+NA)+PhosphoethanolamineME2081821015-0.622141.0181
(2-AMINOETHYL)PHOSPHONIC ACID (M+NA)+CiliatineME208166339-0.873125.024
2'-DEOXYINOSINE (2M+NA)+DeoxyinosineME20817965058-2.1252.089
2'-DEOXYINOSINE (M+NA)+DeoxyinosineME20818065058-2.1252.0894
2-HYDROXY-3-METHYLBUTYRIC ACID (M+NA)+2-Hydroxy-3-methylbutyric acidME208183853180-3.533118.0638
2-HYDROXY-4-(METHYLTHIO)BUTYRIC ACID (M+H)+2-Hydroxy-4-(methylthio)butanoic acidME20818411427-3.427150.0322
2-HYDROXY-4-(METHYLTHIO)BUTYRIC ACID (M+NA)+2-Hydroxy-4-(methylthio)butanoic acidME20818511427-3.408150.0373
2-HYDROXYBUTYRIC ACID (M+NA)+2-Hydroxybutyric acidME20818611266-1.772104.0488
2-METHYLMALEIC ACID #2 (M+NA)+Citraconic acidME208187643798-2.435130.0292
2-METHYLPROPANAL OXIME (M+H)+[-H2O]2-Methylpropanal oximeME2081889023-0.96487.0677
3-(4-HYDROXYPHENYL)LACTIC ACID (M+NA)+Hydroxyphenyllactic acidME208193440177-3.852182.0589
3-AMINOISOBUTYRIC ACID (M+H)+[-H2O]3-Aminoisobutanoic acidME20819464956-1.819103.0639
3-DEHYDROSHIKIMIC ACID (M+H)+[-H2O]3-DehydroshikimateME208195439774-0.971172.0339
3-DEHYDROXYCARNITINE (M+H)+3-DehydroxycarnitineME208196725-0.701145.1104
3-HYDROXY-3-METHYLGLUTARIC ACID (M+H)+3-Hydroxymethylglutaric acidME2081971662-1.756162.0533
3-HYDROXY-3-METHYLGLUTARIC ACID (M+NA)+3-Hydroxymethylglutaric acidME2081981662-1.65162.052
3-HYDROXYBENZALDEHYDE (M+H)+[-H2O]3-HydroxybenzaldehydeME208199101-4.85122.0373
3-HYDROXYKYNURENINE (M+H)+HydroxykynurenineME20820011811-1.235224.0787
3-HYDROXYLAUROYLCARNITINE (*) (M+H)+CAR 12:0;OHME20820171464535-16.106359.2684
3-METHOXYTYROSINE (M+H)+3-MethoxytyrosineME2082029307-1.945211.0812
3-METHYLADENINE (M+H)+3-MethyladenineME2082031673-0.946149.0702
3-METHYLHISTAMINE (M+H)+3-MethylhistamineME20820469520-0.545125.0936
3-PHOSPHOGLYCERIC ACID (M+H)+3-Phosphoglyceric acidME208205439183-0.639185.9909
3-PHOSPHOGLYCERIC ACID (M+NA)+3-Phosphoglyceric acidME208206439183-0.605185.9946
4-ACETAMIDOBUTANOIC ACID (M+NA)+4-Acetamidobutanoic acidME20820718189-1.754145.0749
4-COUMARIC ACID (M+H)+cis-p-Coumaric acidME208208637542-6.981164.0494
4-GUANIDINOBUTANOIC ACID (M+H)+4-Guanidinobutanoic acidME208209500-0.704145.0879
4-HYDROXY-3-METHOXY-BENZENEMETHANOL (M+H)+[-H2O]4-Hydroxy-3-methoxybenzenemethanolME20821062348-3.875154.0632
4-HYDROXY-L-PROLINE (M+H)+cis-4-HydroxyprolineME208211440015-0.72131.0578
4-HYDROXYPHENYLACETIC ACID (M+H)+4-Hydroxyphenylacetic acidME208212127-4.619152.0456
5-AMINOLEVULINIC ACID (M+NA)+5-Amino-levulinic acidME208215137-0.68131.0562
5-AMINOPENTANOIC ACID (M+H)+5-Aminopentanoic acidME208216138-0.781117.077
5-HYDROXYINDOLEACETIC ACID (M+H)+5-Hydroxyindoleacetic acidME2082171826-4.286191.0601
5-HYDROXYINDOLEACETIC ACID (M+NA)+5-Hydroxyindoleacetic acidME2082181826-4.271191.062
5-HYDROXYTRYPTOPHAN (M+H)+5-Hydroxy-tryptophanME208219439280-1.798220.0826
5-METHYLTETRAHYDROFOLIC ACID (M+H)+5-Methyl-THFME2082209825434-3.725459.1894
5'-METHYLTHIOADENOSINE (M+H)+5'-MethylthioadenosineME208213439176-4.554297.0912
5'-METHYLTHIOADENOSINE (M+NA)+5'-MethylthioadenosineME208214439176-4.556297.0914
5-OXOPROLINE (M+H)+Pyroglutamic acidME2082217405-1.196129.0416
5-VALEROLACTONE (M+H)+5-ValerolactoneME20822210953-2.089100.0512
ACETYLCARNITINE (M+H)+CAR 2:0ME20822318230-0.929203.116
ACETYLCHOLINE M+AcetylcholineME208224187-3.953146.1171
ADENOSINE 5'-MONOPHOSPHATE (2M+H)+AMPME2082266083-0.939347.0564
ADENOSINE 5'-MONOPHOSPHATE #2 (M+H)+AMPME2082256083-1.268347.0599
ADENOSINE 5'-MONOPHOSPHATE (M+H)+AMPME2082276083-0.929347.064
ADENOSINE 5'-PHOSPHOSULFATE (M+NA)+Adenosine phosphosulfateME20822810238-0.665427.0188
ADIPIC ACID (M+NA)+Adipic acidME208229196-3.58146.0579
ADP-RIBOSE (M+NA)+ADP-riboseME20823033576-0.64559.0706
ALANINE (M+H)+AlanineME2082315950-1.20489.0478
ALLOPREGNANOLONE (M+H)+3alpha-Hydroxy-5alpha-pregnan-20-oneME20823292787-20.869318.2567
ALLOPREGNANOLONE (M+H)+[-H2O]3alpha-Hydroxy-5alpha-pregnan-20-oneME20823392787-20.924318.2549
ALLOPREGNANOLONE (M+NA)+3alpha-Hydroxy-5alpha-pregnan-20-oneME20823492787-20.803318.255
ALPHA-KETO-GLUTARIC ACID (M+H)+[-H2O]2-Oxoglutaric acidME20823551-0.857146.0214
ALPHA-TOCOPHEROL (M+H)+alpha-TocopherolME20823614985-24.58430.38
ANDROSTERONE (M+NA)+AndrosteroneME2082375879-19.763290.2235
ARACHIDONYLCARNITINE (*) M+CAR 20:4ME208238101431140-23.504504.4145
ASPARAGINE (M+H)+AsparagineME2082396267-0.669132.0509
ASPARTIC ACID (M+H)+Aspartic acidME2082405960-0.606133.0357
ASPARTIC ACID (M+NA)+Aspartic acidME2082415960-0.646133.0349
BENZOIC ACID (M+H)+Benzoic acidME208242243-4.988122.0377
BETA-ALANYL-N(PAI)-METHYL-L-HISTIDINE (M+H)+AnserineME208243112072-0.713240.1223
BETA-ALANYL-N(PAI)-METHYL-L-HISTIDINE (M+NA)+AnserineME208244112072-0.666240.1266
BIOTIN (M+H)+BiotinME20824511966127-6.334244.0915
BIOTIN (M+NA)+BiotinME20824611966127-6.346244.0915
BIS(2-ETHYLHEXYL)PHTHALIC ACID (M+H)+bis(2-Ethylhexyl)phthalic acidME2082478343-23.083390.2774
BIS(2-ETHYLHEXYL)PHTHALIC ACID (M+NA)+bis(2-Ethylhexyl)phthalic acidME2082488343-23.113390.2791
BIS-GAMMA-GLUTAMYLCYSTINE (M+H)+Bis-gamma-glutamylcystineME20824990657696-0.955498.1005
BIURET (M+H)+BiuretME2082507913-0.796103.0379
BUTYRYLCARNITINE (*) (M+H)+CAR 4:0ME208251213144-2.954231.1482
C12 GALACTOSYL(BETA) CERAMIDE (D18:1/12:0) M+[-C6H...-ME20825446891735-23.185643.4988
C12 GALACTOSYL(BETA) CERAMIDE (D18:1/12:0) (M+H)+-ME20825246891735-23.197643.4908
C12 GALACTOSYL(BETA) CERAMIDE (D18:1/12:0) (M+NA)+-ME20825346891735-23.147643.4911
CALCIDIOL (M+NA)+25-Hydroxyvitamin D3ME2082555283731-22.649400.3319
CARNITINE (M+H)+CarnitineME20825610917-0.614161.1024
CHOLESTEROL HYDROGEN SULFATE M+[-HSO4]Cholesterol sulfateME20825865076-23.869466.3111
CHOLESTEROL (M+H)+[-H2O]CholesterolME2082575997-24.655386.356
CHOLINE M+CholineME208259305-0.608104.1079
CHOLINE PHOSPHATE (M+H)+Choline phosphateME2082601014-0.659183.0656
CHOLINE PHOSPHATE (M+NA)+Choline phosphateME2082611014-0.604183.0642
CITRIC ACID (M+NA)+Citric acidME208262311-0.874192.0255
CITRULLINE (M+H)+CitrullineME2082639750-0.68175.0964
CITRULLINE (M+NA)+CitrullineME2082649750-0.663175.093
CORTICOSTERONE (M+H)+CorticosteroneME2082655753-15.202346.2077
CORTICOSTERONE (M+NA)+CorticosteroneME2082665753-15.198346.21
CREATINE (M+H)+CreatineME208267586-0.742131.0713
CREATININE (M+H)+CreatinineME208268588-0.479113.0595
CYSTATHIONINE (M+NA)+CystathionineME208269439258-0.641222.0685
CYSTEIC ACID (M+H)+Cysteic acidME20827072886-0.659187.0147
CYSTINE (M+NA)+CystineME2082716857538-0.724240.023
CYTIDINE (2M+H)+CytidineME2082726175-0.681243.0847
CYTIDINE 5'-DIPHOSPHATE (M+H)+CDPME2082746132-0.704403.0187
CYTIDINE (M+H)+CytidineME2082736175-0.687243.0807
CYTOSINE (M+NA)+CytosineME208275597-0.721111.0417
DAMP (M+H)+dAMPME20828212599-1.212331.0667
DECANOIC ACID (2M+H)+Capric acidME2082832969-22.871172.1456
DECANOIC ACID (2M+NA)+Capric acidME2082842969-22.804172.144
DECANOYLCARNITINE (*) (M+H)+CAR 10:0ME20828511953821-15.122315.2449
DECENOYLCARNITINE (*) (M+H)+CAR 10:1ME20828657357170-13.744313.2262
DEHYDROASCORBIC ACID (M+H)+[-H2O]L-Dehydroascorbic acidME208287440667-0.695174.0148
DEOXYCHOLIC ACID (M+NA)+Deoxycholic acidME208288222528-21.659392.2881
DEOXYURIDINE (M+NA)+DeoxyuridineME20828913712-1.7228.0754
DEPHOSPHO-COA (M+2H)+23'-Dephospho-CoAME208290444485-3.82687.1524
DESMOSTEROL (M+H)+[-H2O]DesmosterolME208291439577-24.228384.34
D-GLUCOSAMINE 6-SULFATE (M+H)+Glucosamine 6-sulfateME2082763330962-0.694259.0325
D-GLUCOSAMINE 6-SULFATE (M+H)+[-H2O]Glucosamine 6-sulfateME2082773330962-0.644259.0377
D-GLUCOSE 6-PHOSPHATE (M+K)+Glucose 6-phosphateME2082785958-0.747260.0334
D-GLUCOSE 6-PHOSPHATE (M+NA)+Glucose 6-phosphateME2082795958-0.763260.0281
DIETHYLSTILBESTROL (M+NA)+DiethylstilbestrolME208292448537-18.803268.148
DIHYDROOROTIC ACID (M+H)+Dihydroorotic acidME2082931149667-0.901158.0308
DIPALMITOYL-GLYCEROL (M+H)+[-H2O]DG 16:0_16:0ME208295644078-26.124568.5054
DIPALMITOYL PHOSPHATIDYLETHANOLAMINE (M+H)+PE 16:0/16:0ME208294445468-24.735691.5192
D-MANNOSAMINE (M+H)+2-Amino-2-deoxy-D-mannoseME2082803034366-0.694179.0793
D-MANNOSAMINE (M+H)+[-H2O]2-Amino-2-deoxy-D-mannoseME2082813034366-0.674179.0827
DODECENOYLCARNITINE (*) II M+CAR 12:1ME20829653481671-16.779342.2652
DUMP (M+H)+dUMPME20829765063-0.989308.0377
DUMP (M+K)+dUMPME20829865063-1.119308.0444
DUMP (M+NA)+dUMPME20829965063-1.047308.0428
EICOSADIENOYLCARNITINE (*) (M+H)+CAR 20:2ME20830071464509-21.635451.3579
EICOSANOYLCARNITINE (*) (M+H)+CAR 20:0ME20830153477833-22.002455.3885
EICOSENOYLCARNITINE (*) (M+H)+CAR 20:1ME20830271464507-21.841453.3838
ELAIDIC ACID (M+H)+Elaidic acidME208303637517-22.968282.2599
EPIANDROSTERONE (M+H)+EpiandrosteroneME208304441302-18.373290.2208
EPIANDROSTERONE (M+H)+[-H2O]EpiandrosteroneME208305441302-18.394290.2242
EPIANDROSTERONE (M+NA)+EpiandrosteroneME208306441302-18.389290.224
EPIBRASSINOLIDE [ISTD] (M+H)+24-epi-BrassinolideME208307115196-19.949480.3465
EPIBRASSINOLIDE [ISTD] (M+NA)+24-epi-BrassinolideME208308115196-19.95480.3466
EPINEPHRINE (M+H)+[-H2O]EpinephrineME2083095816-0.767183.0896
ERUCIC ACID (M+NA)+cis-Erucic acidME2083105281116-23.505338.3212
ESTRADIOL-17BETA (M+NA)+beta-EstradiolME2083115757-16.396272.1808
ESTRONE (M+H)+EstroneME2083125870-16.418270.1607
FLUCYTOSINE (M+H)+FlucytosineME2083133366-0.748129.035
GAMMA-BUTYROLACTONE (M+H)+gamma-ButyrolactoneME2083147302-2.05686.0371
GAMMA-L-GLUTAMYL-L-CYSTEINE (M+H)+gamma-GlutamylcysteineME208315123938-0.978250.0599
GAMMA-L-GLUTAMYL-L-CYSTEINE (M+H)+[-H2O]gamma-GlutamylcysteineME208316123938-0.945250.0627
GAMMA-LINOLENIC ACID (M+NA)+gamma-Linolenic acidME2083175280933-22.845278.2238
GDPMANNOSE (M+H)+GDP-mannoseME20831818396-0.921605.0785
GLUCONIC ACID (M+NA)+Gluconic acidME20831910690-0.682196.0587
GLUCOSAMINE 6-PHOSPHATE (M+H)+[-H2O]Glucosamine 6-phosphateME208320439217-0.679259.0485
GLUCOSAMINE 6-PHOSPHATE (M+NA)+Glucosamine 6-phosphateME208321439217-0.709259.0429
GLUCOSE (2M+NA)+GlucoseME2083225793-0.673180.0642
GLUTAMIC ACID (M+H)+Glutamic acidME20832333032-0.777147.0506
GLUTAMIC ACID (M+H)+[-H2O]Glutamic acidME20832433032-0.628147.0545
GLUTAMINE (M+NA)+GlutamineME2083255961-0.605146.0681
GLUTATHIONE OXIDIZED (M+H)+GlutathioneME20832665359-1.371612.1504
GLUTATHIONE OXIDIZED (M+H2)+2GlutathioneME20832765359-1.373612.1448
GLYCEROL MYRISTATE (M+H)+MG 14:0ME20832879050-22.134302.2423
GLYCEROL MYRISTATE (M+H)+[-H2O]MG 14:0ME20832979050-22.084302.2455
GLYCEROL MYRISTATE (M+NA)+MG 14:0ME20833079050-22.09302.2446
GLYCOLITHOCHOLIC ACID (M+NA)+Glycolithocholic acidME208331115245-21.611433.3261
GLYCOLITHOCHOLIC ACID (M+NA)+[-H2O]Glycolithocholic acidME208332115245-21.423433.3261
GUAIFENESIN (M+H)+GuaifenesinME2083333516-7.64198.0861
GUANIDINOACETIC ACID (M+H)+Guanidoacetic acidME208334763-0.649117.0556
GUANINE (2M+NA)+GuanineME208335764-0.768151.0493
GUANINE (M+H)+GuanineME208336764-0.894151.049
GUANOSINE 5'-PHOSPHATE (M+H)+GMPME2083386804-0.967363.06
GUANOSINE (M+H)+GuanosineME2083376802-1.835283.0932
HEXANOYLCARNITINE (*) M+CAR 6:0ME2083393246939-7.151260.1881
HIPPURIC ACID (M+H)+Hippuric acidME208340464-4.846179.0605
HIPPURIC ACID (M+NA)+Hippuric acidME208341464-4.854179.0596
HOMOCYSTINE (M+H)+HomocystineME20834210010-0.689268.0523
HOMOGENTISIC ACID (M+H)+Homogentisic acidME208343780-2.098168.0411
HOMOSERINE (M+NA)+HomoserineME20834412647-0.607119.0586
HYPOXANTHINE (M+H)+HypoxanthineME208345790-1.096136.0371
HYPOXANTHINE (M+NA)+HypoxanthineME208346790-1.095136.0376
IBUPROFEN CARBOXYLIC ACID (M+H)+[-H2O]-ME20834710444113-12.861236.1036
INDOLE-3-ACETALDEHYDE (M+H)+IndoleacetaldehydeME208348800-1.801159.0695
INDOLE-3-ACETIC ACID (M+H)+Indoleacetic acidME208349802-8.49175.0652
INDOLE-3-ACETIC ACID (M+NA)+Indoleacetic acidME208350802-8.488175.0641
INOSINE 5'-PHOSPHATE (M+H)+IMPME2083538582-0.969348.0458
INOSINE 5'-PHOSPHATE (M+NA)+IMPME2083548582-0.969348.0447
INOSINE (M+H)+InosineME2083516021-1.836268.0818
INOSINE (M+NA)+InosineME2083526021-1.709268.0811
ISO-BUTYRYLCARNITINE (*) (M+H)+CAR 3:0;2MeME208355168379-2.826231.1486
ISOLEUCINE (M+H)+IsoleucineME2083566306-1.6131.0949
ISOLEUCINE (M+NA)+IsoleucineME2083576306-1.603131.0939
ISOVALERYLCARNITINE (*) (M+H)+CAR 4:0;3MeME208358169235-4.57245.1638
KYNURENIC ACID (M+H)+Kynurenic acidME2083593845-4.972189.044
KYNURENINE (M+H)+KynurenineME208360161166-2.214208.0853
KYNURENINE (M+NA)+KynurenineME208361161166-2.213208.0845
L-ARGININE (M+H)+ArginineME2083626322-0.605174.1109
LAUROYLCARNITINE (M+H)+CAR 12:0ME208368168381-17.752343.2712
LEUKOTRIENE B4 (M+NA)+LTB4ME2083695280492-20.822336.2271
L-HISTIDINE (M+H)+HistidineME2083636274-0.593155.0692
L-HISTIDINE (M+NA)+HistidineME2083646274-0.601155.069
L-HISTIDINOL (M+H)+L-HistidinolME208365165271-0.406141.0908
LINOLEIC ACID (M+NA)+Linoleic acidME2083705280450-18.365280.2365
LINOLEOYLCARNITINE (*) (M+H)+CAR 18:2ME2083716450015-20.882423.3281
L-METHIONINE SULFOXIMINE (M+NA)+Methionine sulfoximineME20836689034-0.605180.0591
L-TRYPTOPHAN-15N2 [ISTD] (M+H)+TryptophanME20836716217285-3.647206.0851
LYSINE (M+H)+LysineME2083725962-0.53146.1052
LYSINE (M+NA)+LysineME2083735962-0.54146.1049
MALIC ACID (M+NA)+Malic acidME208375222656-0.747134.0217
MELATONIN (M+NA)+MelatoninME208376896-8.946232.1225
METHIONINE (M+H)+MethionineME2083776137-0.978149.0501
METHYL BETA-D-GALACTOSIDE (M+NA)+Methyl beta-D-galactosideME20837894214-0.886194.0767
METHYL JASMONATE (M+NA)+Methyl jasmonateME2083795281929-16.042224.1427
MEVALONIC ACID (M+NA)+[-H2O]Mevalonic acidME208380439230-1.477148.0721
M-HYDROXYMANDELIC ACID (M+H)+[-H2O]3-Hydroxymandelic acidME20837486957-2.098168.0421
N1-ACETYLSPERMINE (M+H)+N1-AcetylspermineME208412916-0.525244.2267
N6-(DELTA2-ISOPENTENYL)-ADENINE (M+H)+N6-IsopentenyladenineME20841392180-7.955203.1158
N-ACETYL-ASPARTIC ACID (M+H)+N-Acetylaspartic acidME20838265065-0.973175.0472
N-ACETYL-ASPARTIC ACID (M+NA)+N-Acetylaspartic acidME20838365065-0.973175.0492
N-ACETYL-D-GLUCOSAMINE (M+H)+N-Acetyl-D-glucosamineME208384446101-0.689221.0895
N-ACETYL-D-GLUCOSAMINE (M+H)+[-H2O]N-Acetyl-D-glucosamineME208385446101-0.675221.0937
N-ACETYL-D-GLUCOSAMINE (M+NA)+N-Acetyl-D-glucosamineME208386446101-0.694221.0868
N-ACETYL-DL-METHIONINE (M+H)+N-AcetylmethionineME208389448580-4.106191.0628
N-ACETYL-DL-METHIONINE (M+H)+[-H2O]N-AcetylmethionineME208390448580-4.096191.0605
N-ACETYL-DL-METHIONINE (M+NA)+N-AcetylmethionineME208391448580-4.109191.0632
N-ACETYL-DL-SERINE (M+H)+N-AcetylserineME20839265249-0.842147.0527
N-ACETYL-DL-SERINE (M+H)+[-H2O]N-AcetylserineME20839365249-0.948147.0523
N-ACETYL-D-TRYPTOPHAN (M+H)+N-Acetyl-D-tryptophanME208387439917-8.015246.1026
N-ACETYL-D-TRYPTOPHAN (M+NA)+N-Acetyl-D-tryptophanME208388439917-8.023246.1043
N-ACETYL-GLUTAMIC ACID (M+H)+N-Acetylglutamic acidME208394185-1.299189.062
N-ACETYL-GLUTAMIC ACID (M+NA)+N-Acetylglutamic acidME208395185-1.304189.0608
N-ACETYL-L-ALANINE (M+H)+[-H2O]N-AcetylalanineME20839688064-1.397131.0584
N-ACETYL-L-ALANINE (M+NA)+N-AcetylalanineME20839788064-1.432131.0558
N-ACETYL-L-LEUCINE (M+H)+N-AcetylleucineME20839875619-7.244173.105
N-ACETYL-L-LEUCINE (M+NA)+N-AcetylleucineME20839975619-7.248173.1056
N-ACETYL-L-PHENYLALANINE (M+H)+N-AcetylphenylalanineME20840074839-7.786207.092
N-ACETYL-L-PHENYLALANINE (M+NA)+N-AcetylphenylalanineME20840174839-7.787207.0925
N-ACETYLNEURAMINIC ACID (M+H)+N-Acetylneuraminic acidME208402444885-0.774309.1006
N-ACETYLNEURAMINIC ACID (M+NA)+N-Acetylneuraminic acidME208403444885-0.681309.1052
N-ACETYLSEROTONIN (M+NA)+N-AcetylserotoninME208404903-5.004218.1085
NAD (M+2H)+2NAD+ME2084145893-1.007663.0964
NAD (M+H)+NAD+ME2084155893-1.006663.1064
N-CYCLOHEXYLFORMAMIDE (M+H)+N-CyclohexylformamideME20840513017-7.986127.0998
N-CYCLOHEXYLFORMAMIDE (M+NA)+N-CyclohexylformamideME20840613017-7.979127.1001
NICOTINAMIDE HYPOXANTHINE DINUCLEOTIDE (M+H)+Nicotinamide purin-6-ol-dinucleotideME208417440334-1.009664.1043
NICOTINAMIDE (M+H)+NiacinamideME208416936-1.104122.0467
NICOTINAMIDE MONONUCLEOTIDE (M+H)+Nicotinamide ribotideME20841814180-0.698334.0575
N-METHYL-GLUTAMIC ACID (M+NA)+N-Methyl-glutamic acidME208407439377-1.889161.0657
N-METHYLNICOTINIC ACID (2M+H)+TrigonellineME2084085570-0.655137.0472
N-METHYLNICOTINIC ACID (M+H)+TrigonellineME2084095570-0.68137.0485
N-OLEOYLGLYCINE (M+H)+N-Oleoyl glycineME2084106436908-22.653339.2839
N-OLEOYLGLYCINE (M+NA)+N-Oleoyl glycineME2084116436908-22.554339.2832
NONANOIC ACID (M+NA)+Pelargonic acidME2084198158-13.265158.1315
NORADRENALINE (M+H)+[-H2O]Xi-NorepinephrineME208420951-0.581169.0737
N(PAI)-METHYL-L-HISTIDINE (M+H)+3-MethylhistidineME20838164969-0.603169.0854
OCTACOSANOIC ACID (M+H)+Montanic acidME20842310470-23.46424.4347
OCTANOYLCARNITINE (*) (M+H)+CAR 8:0ME208424123701-11.57287.2111
OCTENOYLCARNITINE (*) M+CAR 8:1ME20842571464472-9.569286.204
OLEAMIDE (M+H)+OleamideME2084265283387-22.643281.2691
OLEAMIDE (M+NA)+OleamideME2084275283387-22.636281.2704
OLEIC ACID (M+H)+Oleic acidME208428445639-22.514282.2543
OLEIC ACID (M+NA)+Oleic acidME208429445639-22.506282.2538
OLEOYLCARNITINE (*) (M+H)+CAR 18:1ME2084336441392-21.224425.3445
OLEOYL-GLYCEROL (M+H)+MG 18:1ME2084305319879-22.657356.2927
OLEOYL-GLYCEROL (M+H)+[-H2O]MG 18:1ME2084315319879-22.662356.2927
OLEOYL-GLYCEROL (M+NA)+MG 18:1ME2084325319879-22.691356.2936
O-PHOSPHO-DL-SERINE (M+H)+DL-O-PhosphoserineME208421106-0.656185.0093
O-PHOSPHO-DL-SERINE (M+NA)+DL-O-PhosphoserineME208422106-0.73185.0086
OPHTHALMIC ACID (M+H)+Ophthalmic acidME2084347018721-1.225289.1252
OROTIC ACID (M+H)+Orotic acidME208435967-0.849156.0179
PANTOTHENIC ACID (M+H)+Pantothenic acidME2084366613-3.316219.1134
PANTOTHENIC ACID (M+NA)+Pantothenic acidME2084376613-3.316219.1131
PHENYL ACETATE (M+H)+Phenyl acetateME208438999-3.824136.0515
PHENYLALANINE (M+H)+PhenylalanineME2084396140-2.426165.078
PHOSPHOCREATINE (M+H)+PhosphocreatineME2084409548602-0.919211.0396
PHTHALIC ACID (M+NA)+Phthalic acidME2084411017-4.885166.0265
PIPECOLIC ACID (M+H)+Pipecolic acidME208442849-0.905129.077
PREGNENOLONE (M+H)+PregnenoloneME2084438955-20.357316.2399
PREGNENOLONE (M+H)+[-H2O]PregnenoloneME2084448955-20.357316.2397
PREGNENOLONE (M+NA)+PregnenoloneME2084458955-20.283316.2361
PROCOLLAGEN 5-HYDROXY-L-LYSINE (M+H)+-ME20844683228-0.68162.1019
PROGESTERONE (M+H)+ProgesteroneME2084475994-19.712314.2253
PROGESTERONE (M+NA)+ProgesteroneME2084485994-19.712314.2296
PROLINE (M+H)+ProlineME208449145742-0.783115.0651
PROPIONYLCARNITINE (*) (M+H)+CAR 3:0ME208450107738-1.652217.1316
PROSTAGLANDIN E2 (M+H)+PGE2ME2084515280360-16.868352.2262
PROTOPORPHYRIN (M+H)+ProtoporphyrinME2084524971-22.973562.2608
PUTRESCINE (M+H)+PutrescineME2084531045-0.51388.1001
PYRIDOXAL #2 (M+H)+[-H2O]PyridoxalME2084541050-2.069167.0601
PYRIDOXAL PHOSPHATE (2M+H)+Pyridoxal 5'-phosphateME2084551051-1.279247.0198
PYRIDOXAL PHOSPHATE (M+H)+Pyridoxal 5'-phosphateME2084561051-1.276247.0231
RAFFINOSE (M+K)+RaffinoseME208457439242-0.697504.1604
RAFFINOSE (M+NA)+RaffinoseME208458439242-0.698504.1599
RIBOFLAVIN (M+H)+RiboflavinME208459493570-7.687376.1422
RIBOFLAVIN (M+NA)+RiboflavinME208460493570-7.687376.1423
RIBOSE (M+NA)+RiboseME2084615779-0.68150.0538
S-ADENOSYL-L-HOMOCYSTEINE (M+H)+S-AdenosylhomocysteineME208462439155-1.522384.1202
S-ADENOSYLMETHIONINE (M+H)+S-AdenosylmethionineME20846334755-0.612398.1298
SALSOLINOL (M+H)+SalsolinolME2084649158-1.367179.0932
SARCOSINE (M+H)+SarcosineME2084651088-0.75989.046
SELENOMETHIONINE (M+H)+SelenomethionineME208466105024-1.309196.9974
SERINE (M+H)+SerineME208467617-0.937105.0414
SEROTONIN (M+H)+SerotoninME2084685202-1.801176.0941
SN-GLYCERO-3-PHOSPHOCHOLINE (M+H)+sn-Glycero-3-phosphocholineME208469439285-0.649257.1015
SPERMIDINE (M+H)+SpermidineME2084701102-0.504145.1583
SPERMIDINE (M+NA)+SpermidineME2084711102-0.535145.1566
SPERMINE (M+H)+SpermineME2084721103-0.491202.2159
SPHINGANINE (M+H)+SphinganineME208473644260-20.59301.2934
SPHINGOSINE (M+H)+SphingosineME2084745280335-20.199299.2816
SPHINGOSINE (M+H)+[-H2O]SphingosineME2084755280335-20.284299.2812
STACHYOSE (M+K)+StachyoseME208476439531-0.703666.2121
STACHYOSE (M+NA)+StachyoseME208477439531-0.703666.2149
STEAROYLCARNITINE (*) (M+H)+CAR 18:0ME20847852922056-21.621427.3592
SUBERIC ACID (M+NA)+Suberic acidME20847910457-8.343174.0917
SUCROSE (M+NA)+SucroseME2084805988-0.743342.11
TAURINE (M+K)+TaurineME2084811123-0.604125.0149
TAURINE (M+NA)+TaurineME2084821123-0.604125.0131
TAUROCHENODEOXYCHOLIC ACID (M+H)+Taurochenodeoxycholic acidME208483387316-20.276499.2959
TAUROCHENODEOXYCHOLIC ACID (M+H)+[-H2O]Taurochenodeoxycholic acidME208484387316-20.091499.3034
TAUROCHENODEOXYCHOLIC ACID (M+NA)+Taurochenodeoxycholic acidME208485387316-20.236499.3006
TAUROCHOLIC ACID (M+NA)+Taurocholic acidME2084866675-18.252515.292
TAUROLITHOCHOLIC ACID (M+H)+Taurolithocholic acidME208487439763-21.82483.3078
TAUROLITHOCHOLIC ACID (M+NA)+Taurolithocholic acidME208488439763-21.851483.3095
TETRADECADIENOYLCARNITINE (*) M+CAR 14:2ME20848953481681-17.807368.2799
TETRADECENOYLCARNITINE (*) M+CAR 14:1ME20849022833575-18.902370.2974
THIAMIN MONOPHOSPHATE (M+NA)+Thiamine monophosphateME2084913382778-0.846344.0645
THREONINE (M+H)+[-H2O]ThreonineME2084926288-0.911119.0578
THROMBOXANE B2 (M+NA)+TXB2ME2084935283137-16.655370.2326
THYMIDINE (M+H)+ThymidineME2084945789-2.78242.0901
THYMIDINE (M+NA)+ThymidineME2084955789-2.783242.0902
THYMINE (M+H)+ThymineME2084961135-1.718126.041
TRYPTOPHANAMIDE (M+H)+TryptophanamideME208499439356-2.706203.1063
TRYPTOPHAN (M+H)+TryptophanME2084976305-3.648204.0859
TRYPTOPHAN (M+NA)+TryptophanME2084986305-3.651204.0863
TYROSINE (M+H)+TyrosineME2085006057-1.315181.0715
TYROSINE (M+NA)+TyrosineME2085016057-1.323181.0721
UDP-N-ACETYL-D-GALACTOSAMINE (M+NA)+UDP-N-acetylgalactosamineME20850223724461-0.903607.081
URACIL 5-CARBOXYLIC ACID (M+H)+Uracil-5-carboxylic acidME2085046971263-1.281156.0158
URACIL (M+H)+UracilME2085031174-0.93112.0278
URIC ACID (M+H)+Uric acidME2085051175-0.993168.0265
URIDINE-5-MONOPHOSPHATE (2M+NA)+UMPME2085086030-0.857324.0392
URIDINE-5-MONOPHOSPHATE (M+H)+UMPME2085096030-0.851324.0343
URIDINE (M+H)+UridineME2085066029-1.369244.0679
URIDINE (M+NA)+UridineME2085076029-1.362244.0677
URSODIOL (M+NA)+Ursodeoxycholic acidME20851031401-21.762392.2911
VALINE (M+H)+ValineME2085116287-0.885117.0799
VALINE (M+NA)+ValineME2085126287-0.878117.078
VITAMIN B12 (M+2H)+2Vitamin B12ME208513118701016-6.951354.5703
VITAMIN B12 (M+2NA)+2Vitamin B12ME208514118701016-6.9361354.5704
XANTHINE (M+H)+XanthineME2085151188-1.274152.0318
XANTHOSINE (M+H)+XanthosineME20851664959-2.295284.0778
XANTHURENIC ACID (M+H)+Xanthurenic acidME2085175699-4.497205.0408
ZEATIN [ISTD] (M+H)+trans-ZeatinME208518449093-3.936219.1128


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