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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_18:0ME21282818631368-25.553761.5975
16:0 LYSO PC (M+CL)-LPC 16:0ME212827460602-22.279495.3338
18:0 LYSO-PE (M-H)-LPE 18:0ME2128299547068-22.702481.3181
3-(4-HYDROXYPHENYL)LACTIC ACID (M-H)-Hydroxyphenyllactic acidME212830440177-3.8182.0573
3-METHYL-2-OXOPENTANOIC ACID (M-H)-3-Methyl-2-oxovaleric acidME212831440877-4.482130.0629
3-PHOSPHOGLYCERIC ACID (M-H)-3-Phosphoglyceric acidME212832439183-0.58185.992
3-SULFINO-L-ALANINE (M-H)-3-Sulfino-alanineME212833109-0.63153.0096
4-METHYL-2-OXOPENTANOIC ACID (M-H)-KetoleucineME21283470-4.894130.0629
4-NITROPHENOL (M-H)-4-NitrophenolME212835980-7.177139.027
4-PYRIDOXIC ACID (M-H)-4-Pyridoxic acidME2128366723-1.92183.0525
5-AMINOPENTANOIC ACID (M-H)-5-Aminopentanoic acidME212838138-0.708117.078
5-HYDROXYINDOLEACETIC ACID (M-H)-5-Hydroxyindoleacetic acidME2128391826-4.172191.0607
5-HYDROXYTRYPTOPHAN (M-H)-5-Hydroxy-tryptophanME212840439280-1.822220.0834
5'-METHYLTHIOADENOSINE (M+CL)-5'-MethylthioadenosineME212837439176-4.573297.0891
5-OXOPROLINE (M-H)-Pyroglutamic acidME2128417405-1.221129.0422
ADENOSINE 5'-MONOPHOSPHATE (2M-H)+AMPME2128446083-0.938347.0564
ADENOSINE 5'-MONOPHOSPHATE #2 (M-H)-AMPME2128436083-1.308347.0659
ADENOSINE 5'-MONOPHOSPHATE (M-H)-AMPME2128456083-0.939347.0627
ADENOSINE 5'-PHOSPHOSULFATE (M-H)-Adenosine phosphosulfateME21284610238-0.672427.0265
ADENOSINE (M+CL)-AdenosineME21284260961-1.848267.0934
ADIPIC ACID (M-H)-Adipic acidME212847196-3.675146.0583
ARACHIDIC ACID (M-H)-Arachidic acidME21284810467-23.674312.3028
ARACHIDONIC ACID (M-H)-Arachidonic acidME212849444899-22.743304.2402
ASPARTIC ACID (M-H)-Aspartic acidME2128505960-0.601133.0376
BEHENIC ACID (M-H)-Behenic acidME2128518215-24.216340.334
BENZOIC ACID (M-H)-Benzoic acidME212852243-5.045122.0367
BETA-ALANINE (M-H)-beta-AlanineME212853239-0.57989.0478
BIS-GAMMA-GLUTAMYLCYSTINE (M-H)-Bis-gamma-glutamylcystineME21285490657696-0.96498.1048
CIS-11-EICOSENOIC ACID (M-H)-cis-Gondoic acidME2128555282768-23.314310.2873
CITRAMALIC ACID (M-H)-Citramalic acidME212856441696-1.444148.0368
CITRIC ACID (M-H)-Citric acidME212857311-1.036192.0266
CMP (M-H)-CMPME2128586131-0.63323.0582
CORTISOL 21-ACETIC ACID (M+CL)-Cortisol 21-acetateME2128595744-15.878404.225
CYSTATHIONINE (M-H)-CystathionineME212860439258-0.579222.066
CYTIDINE 5'-DIPHOSPHOCHOLINE (M+CL)-CDP-cholineME21286213804-0.641488.1121
CYTIDINE (M+CL)-CytidineME2128616175-0.755243.0849
DEHYDROASCORBIC ACID (M+CL)-L-Dehydroascorbic acidME212864440667-0.715174.0184
DEOXYCHOLIC ACID (M+CL)-Deoxycholic acidME212865222528-21.765392.2953
DEOXYCHOLIC ACID (M-H)-Deoxycholic acidME212866222528-21.79392.2922
DEOXYCYTIDINE (M+CL)-DeoxycytidineME21286713711-1.015227.0863
DEOXYURIDINE (M+CL)-DeoxyuridineME21286813712-1.596228.0761
DEPHOSPHO-COA (M-H)-3'-Dephospho-CoAME212869444485-3.83687.1489
D-GLUCOSE 6-PHOSPHATE (M-H)-Glucose 6-phosphateME2128635958-0.718260.0279
DIHYDROXYFUMARIC ACID (M-H)-(E)-2,3-Dihydroxybut-2-enedioic acidME21287054678503-0.68148.0005
DOCOSAHEXAENOIC ACID (M-H)-Docosahexaenoic acidME212871445580-22.726328.2408
EPIBRASSINOLIDE [ISTD] (M+CL)-24-epi-BrassinolideME212872115196-20.025480.3457
ERUCIC ACID (M-H)-cis-Erucic acidME2128735281116-23.74338.3179
ETHANOLAMINE PHOSPHATE (M-H)-PhosphoethanolamineME2128741015-0.581141.0185
FLAVIN ADENINE DINUCLEOTIDE (M-H)-FADME212875643975-6.279785.1575
FUMARIC ACID (2M-H)-Fumaric acidME212876444972-1.276116.0111
FUMARIC ACID (M-H)-Fumaric acidME212877444972-1.278116.0108
GAMMA-L-GLUTAMYL-L-CYSTEINE (M-H)-gamma-GlutamylcysteineME212878123938-0.838250.061
GDPGLUCOSE (M-H)-GDP-glucoseME212879644106-1.294605.0758
GDPMANNOSE (M-H)-GDP-mannoseME21288018396-0.941605.0729
GERANYLGERANYL DIPHOSPHATE (M-H)-Geranylgeranyl diphosphateME212881447277-23.27450.187
GLUCONIC ACID (M-H)-Gluconic acidME21288210690-0.654196.0569
GLUCOSE (M+CL)-GlucoseME2128835793-0.65180.0634
GLUCURONIC ACID (M-H)-Glucuronic acidME21288494715-0.665194.0401
GLUTAMIC ACID (M-H)-Glutamic acidME21288533032-0.606147.0538
GLUTARIC ACID (M-H)-Glutaric acidME212886743-2.124132.042
GLUTATHIONE (OXIDIZED) (M-H)-GlutathioneME21288765359-1.403612.1525
GLYCEROL 2-PHOSPHATE (M-H)-sn-Glycero-2-phosphateME2128882526-0.73172.017
GUANINE (M-H)-GuanineME212889764-0.964151.0478
GUANOSINE 5'-PHOSPHATE (M-H)-GMPME2128906804-0.97363.0521
HEPTADECANOIC ACID (M-H)-Margaric acidME21289110465-23.029270.2555
HYODEOXYCHOLIC ACID (M-H)-Hyodeoxycholic acidME2128925283820-22.873392.2955
HYPOXANTHINE (M-H)-HypoxanthineME212893790-1.098136.0378
INOSINE 5'-PHOSPHATE (M-H)-IMPME2128958582-0.972348.0413
INOSINE (M-H)-InosineME2128946021-1.875268.0811
ISOCITRIC ACID (M-H)-Isocitric acidME2128965318532-0.715192.0262
ISOLEUCINE (M-H)-IsoleucineME2128976306-1.549131.0944
KYNURENINE (M-H)-KynurenineME212898161166-2.231208.0834
L-[15N]ANTHRANILIC ACID [ISTD] (M-H)-2-Aminobenzoic acidME212903227-5.458138.0444
LANTHIONINE (M-H)-LanthionineME212904102950-0.576208.0482
L-ARGININE (M-H)-ArginineME2128996322-0.637174.1105
LAURIC ACID (M-H)-Lauric acidME2129053893-21.843200.1773
L-CARNITINE (M+CL)-CarnitineME21290010917-0.645161.1035
L-HISTIDINE (M-H)-HistidineME2129016274-0.625155.0689
L-TRYPTOPHAN-15N2 [ISTD] (M-H)-TryptophanME21290216217285-3.684206.0841
LYSINE (M-H)-LysineME2129065962-0.571146.1048
MALIC ACID (M-H)-Malic acidME212908222656-0.82134.0211
MALIC ACID (M-H)+[-H2O]Malic acidME212907222656-0.827134.0222
METHIONINE (M-H)-MethionineME2129096137-0.96149.0501
MEVALONIC ACID (M-H)-Mevalonic acidME212910439230-1.632148.0711
MYRISTIC ACID (M-H)-Myristic acidME21291111005-22.501228.2088
MYRISTOLEIC ACID (M-H)-Myristoleic acidME2129125281119-22.127226.193
N-ACETYL-ASPARTIC ACID (M-H)-N-Acetylaspartic acidME21291465065-0.988175.0478
N-ACETYL-DL-SERINE (M-H)-N-AcetylserineME21291565249-0.818147.0505
N-ACETYL--GLUTAMIC ACID (M-H)-N-Acetylglutamic acidME212913185-1.341189.0631
N-ACETYL-L-ALANINE (M-H)-N-AcetylalanineME21291688064-1.54131.057
N-ACETYL-L-LEUCINE (M-H)-N-AcetylleucineME21291775619-7.307173.105
N-ACETYLNEURAMINIC ACID (M-H)-N-Acetylneuraminic acidME212918444885-0.709309.1032
NAD (M-H)-NAD+ME2129205893-1.023663.1102
N-METHYL-GLUTAMIC ACID (M-H)-N-Methyl-glutamic acidME212919439377-0.749161.0664
OLEIC ACID (M-H)-Oleic acidME212921445639-22.966282.2561
ORNITHINE (M-H)-OrnithineME2129226262-0.572132.0877
OXALIC ACID (M-H)-Oxalic acidME212923971-0.6889.9955
OXALOACETIC ACID (M-H)-[-H2O]Oxaloacetic acidME212924970-0.561132.0034
PALMITIC ACID (M-H)-Palmitic acidME212925985-22.885256.2404
PALMITOLEIC ACID (M-H)-Palmitoleic acidME212926445638-22.637254.2248
PANTOTHENIC ACID (M+CL)-Pantothenic acidME2129276613-3.345219.1105
PANTOTHENIC ACID (M-H)-Pantothenic acidME2129286613-3.227219.1109
PHENYLALANINE (M-H)-PhenylalanineME2129296140-2.567165.0786
PHYTANIC ACID (M-H)-Phytanic acidME21293010380830-23.324312.3014
PROPENOIC ACID (M-H)-Propenoic acidME2129316581-1.27372.0218
PYRIDOXAL PHOSPHATE (M-H)-Pyridoxal 5'-phosphateME2129321051-1.365247.0275
PYRIDOXINE (M-H)-PyridoxineME2129331054-1.119169.073
PYRUVIC ACID (M-H)-Pyruvic acidME2129341060-0.69588.0163
RAFFINOSE (M+CL)-RaffinoseME212935439242-0.638504.1693
RETINOIC ACID (M-H)-Retinoic acidME212936444795-22.334300.2101
RIBITOL (M+CL)-RibitolME21293794154-0.666152.0677
S-ADENOSYL-L-HOMOCYSTEINE (M-H)-S-AdenosylhomocysteineME212938439155-1.537384.1196
SERINE (M-H)-SerineME212939617-0.604105.0424
STACHYOSE (M+CL)-StachyoseME212940439531-0.647666.2119
STACHYOSE (M-H)-StachyoseME212941439531-0.651666.2183
STEARIC ACID (M-H)-Stearic acidME2129425281-23.242284.2717
SUCCINIC ACID (M-H)-Succinic acidME2129431110-1.35118.0265
SUCROSE (M+CL)-SucroseME2129445988-0.687342.1163
THYMIDINE 5'-MONOPHOSPHATE (M-H)-TMPME21294612803287-1.566322.0625
THYMIDINE (M+CL)-ThymidineME2129455789-2.832242.0901
TRICARBALLYLIC ACID (M-H)-1,2,3-Propanetricarboxylic acidME21294714925-1.279176.032
TRYPTOPHAN (M-H)-TryptophanME2129486305-3.683204.0861
TYROSINE (M-H)-TyrosineME2129496057-1.331181.0735
UDP-GLUCOSE (M-H)-UDP-glucoseME21295053477679-1.244566.0556
UDP-N-ACETYL-D-GALACTOSAMINE (M-H)-UDP-N-acetylgalactosamineME21295123724461-0.92607.0818
UDP-N-ACETYL-D-GLUCOSAMINE (M-H)-UDP-N-acetylglucosamineME212952445675-1.279607.082
URIDINE-5-MONOPHOSPHATE (M-H)-UMPME2129556030-0.865324.0371
URIDINE (M+CL)-UridineME2129536029-1.34244.0694
URIDINE (M-H)-UridineME2129546029-1.381244.0689
VALINE (M-H)-ValineME2129566287-0.87117.0778
ZEATIN [ISTD] (M+CL)-trans-ZeatinME212957449093-3.954219.1117
ZEATIN [ISTD] (M-H)-trans-ZeatinME212958449093-3.956219.1116


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
16:0-18:0 PC (M+H)+PC 16:0_18:0ME21296518631368-25.549761.5945
16:0-18:0 PC (M+NA)+PC 16:0_18:0ME21296618631368-25.55761.5971
16:0 LYSO PC (M+H)+LPC 16:0ME212963460602-22.311495.3338
16:0 LYSO PC (M+NA)+LPC 16:0ME212964460602-22.304495.3337
18:0 LYSO-PE (M+H)+LPE 18:0ME2129679547068-22.751481.3169
1-AMINOCYCLOPROPANE-1-CARBOXYLIC ACID (M+H)+1-Aminocyclopropanecarboxylic acidME212959535-0.949101.0472
1-METHYLNICOTINAMIDE M+1-Methyl nicotinamideME212960457-0.664137.0699
1-METHYLXANTHINE (M+H)+1-MethylxanthineME21296180220-2.566166.0481
1-METHYLXANTHINE (M+NA)+1-MethylxanthineME21296280220-2.568166.0473
25-HYDROXYCHOLESTEROL (M+H)+[-H2O]25-HydroxycholesterolME21297165094-22.774402.3435
2-AMINOETHYL DIHYDROGEN PHOSPHATE (M+H)+PhosphoethanolamineME2129681015-0.608141.0195
2-AMINOETHYL DIHYDROGEN PHOSPHATE (M+NA)+PhosphoethanolamineME2129691015-0.61141.0199
2-DEOXY-D-GLUCOSE (M+NA)+2-Deoxy-glucoseME212970439268-0.68164.0688
3-DEHYDROXYCARNITINE (M+H)+3-DehydroxycarnitineME212972725-0.681145.1087
3-HYDROXY-3-METHYLGLUTARIC ACID (M+H)+3-Hydroxymethylglutaric acidME2129731662-1.697162.0533
3-HYDROXY-3-METHYLGLUTARIC ACID (M+NA)+3-Hydroxymethylglutaric acidME2129741662-1.7162.0524
5-AMINOPENTANOIC ACID (M+H)+5-Aminopentanoic acidME212977138-0.72117.0777
5'-DEOXYADENOSINE (M+H)+5'-DeoxyadenosineME212975439182-2.817251.1024
5-HYDROXYINDOLEACETIC ACID (M+H)+5-Hydroxyindoleacetic acidME2129781826-4.175191.0618
5-HYDROXYINDOLEACETIC ACID (M+NA)+5-Hydroxyindoleacetic acidME2129791826-4.176191.0614
5-HYDROXYTRYPTOPHAN (M+H)+5-Hydroxy-tryptophanME212980439280-1.822220.0841
5-METHYLTETRAHYDROFOLIC ACID (M+H)+5-Methyl-THFME2129819825434-3.749459.1909
5'-METHYLTHIOADENOSINE (M+H)+5'-MethylthioadenosineME212976439176-4.572297.0904
5-OXOPROLINE (M+H)+Pyroglutamic acidME2129827405-1.226129.0435
ACETYLCARNITINE (M+H)+CAR 2:0ME21298318230-0.932203.1155
ACETYLCHOLINE M+AcetylcholineME212984187-3.965146.118
ADENOSINE 5'-DIPHOSPHATE (M+H)+ADPME2129866022-0.929427.0301
ADENOSINE 5'-MONOPHOSPHATE #2 (M+H)+AMPME2129876083-1.312347.0629
ADENOSINE 5'-MONOPHOSPHATE (M+H)+AMPME2129886083-0.945347.0632
ADENOSINE (M+H)+AdenosineME21298560961-1.833267.0961
ADIPIC ACID (M+NA)+Adipic acidME212989196-3.606146.0583
ALPHA-TOCOPHEROL (M+H)+alpha-TocopherolME21299014985-24.624430.3799
ASPARTIC ACID (M+H)+Aspartic acidME2129915960-0.581133.0376
ASPARTIC ACID (M+NA)+Aspartic acidME2129925960-0.581133.0373
AZELAIC ACID (M+NA)+Azelaic acidME2129932266-10.816188.108
BILIVERDIN (M+H)+BiliverdinME2129945280353-18.692582.2487
BIS(2-ETHYLHEXYL)PHTHALIC ACID (M+H)+bis(2-Ethylhexyl)phthalic acidME2129958343-23.138390.2784
BIS(2-ETHYLHEXYL)PHTHALIC ACID (M+NA)+bis(2-Ethylhexyl)phthalic acidME2129968343-23.134390.2787
BIS-GAMMA-GLUTAMYLCYSTINE (M+H)+Bis-gamma-glutamylcystineME21299790657696-1.01498.104
BUTYRYLCARNITINE (*) (M+H)+CAR 4:0ME212998213144-2.914231.1466
CAFFEINE (M+H)+CaffeineME2129992519-5.766194.084
CAFFEINE (M+NA)+CaffeineME2130002519-5.79194.0824
CALCIDIOL (M+H)+[-H2O]25-Hydroxyvitamin D3ME2130015283731-22.616400.3278
CARNITINE (M+H)+CarnitineME21300210917-0.635161.1042
CHOLESTEROL (M+H)+[-H2O]CholesterolME2130035997-24.72386.3559
CHOLIC ACID (2M+H)+[-H2O]Cholic acidME213004221493-20.269408.2837
CHOLIC ACID (2M+NA)+Cholic acidME213005221493-20.204408.2937
CHOLINE M+CholineME213006305-0.654104.1064
CHOLINE PHOSPHATE (M+H)+Choline phosphateME2130071014-0.605183.065
CHOLINE PHOSPHATE (M+NA)+Choline phosphateME2130081014-0.594183.0641
CITRIC ACID (M+NA)+Citric acidME213009311-1.052192.0272
CMP (M+H)+CMPME2130106131-0.646323.053
CREATINE (M+H)+CreatineME213011586-0.671131.068
CYSTATHIONINE (M+H)+CystathionineME213012439258-0.617222.0633
CYSTATHIONINE (M+NA)+CystathionineME213013439258-0.579222.0665
CYSTINE (M+NA)+CystineME2130146857538-0.707240.0274
CYTIDINE 5'-DIPHOSPHOCHOLINE (M+H)+CDP-cholineME21301513804-0.638488.1041
CYTIDINE 5'-DIPHOSPHOCHOLINE (M+K)+CDP-cholineME21301613804-0.655488.1094
CYTIDINE 5'-DIPHOSPHOCHOLINE (M+NA)+CDP-cholineME21301713804-0.665488.108
CYTOSINE (M+NA)+CytosineME213018597-0.71111.044
DEOXYCYTIDINE (M+H)+DeoxycytidineME21302013711-0.957227.0872
DEOXYCYTIDINE (M+NA)+DeoxycytidineME21302113711-0.922227.0908
DEPHOSPHO-COA (M+2H)+23'-Dephospho-CoAME213022444485-3.84687.1502
DEPHOSPHO-COA (M+H)+3'-Dephospho-CoAME213023444485-3.755687.1503
DEPHOSPHO-COA (M+NA)+3'-Dephospho-CoAME213024444485-3.768687.1477
D-GLUCOSAMINE (M+H)+GlucosamineME213019439213-0.65179.0768
DIPALMITOYL PHOSPHATIDYLETHANOLAMINE (M+H)+PE 16:0/16:0ME213025445468-24.78691.5154
DOXYLAMINE (M+H)+DoxylamineME2130263162-5.969270.1712
ELAIDIC ACID (M+H)+Elaidic acidME213027637517-22.966282.2563
EPIBRASSINOLIDE [ISTD] (M+H)+24-epi-BrassinolideME213028115196-20.033480.3463
EPIBRASSINOLIDE [ISTD] (M+NA)+24-epi-BrassinolideME213029115196-20.034480.3454
ERYTHRITOL (M+NA)+ErythritolME213030222285-0.653122.0574
ESTRONE (M+H)+EstroneME2130315870-16.501270.1612
ETHANOLAMINE (M+NA)+EthanolamineME213032700-0.72461.0539
ETHANOLAMINE PHOSPHATE (M+H)+PhosphoethanolamineME2130331015-0.839141.0183
ETHYLMALONIC ACID (2M+NA)+[-H2O]Ethylmalonic acidME21303411756-2.8132.0407
FLAVIN ADENINE DINUCLEOTIDE (M+H)+FADME213035643975-6.275785.1571
FLAVIN ADENINE DINUCLEOTIDE (M+NA)+FADME213036643975-6.287785.1554
GAMMA-L-GLUTAMYL-L-CYSTEINE (M+H)+gamma-GlutamylcysteineME213037123938-0.927250.0624
GAMMA-L-GLUTAMYL-L-CYSTEINE (M+H)+[-H2O]gamma-GlutamylcysteineME213038123938-0.993250.0634
GAMMA-LINOLENIC ACID (M+NA)+gamma-Linolenic acidME2130395280933-22.888278.2231
GDPGLUCOSE (M+H)+GDP-glucoseME213040644106-1.29605.0738
GDPMANNOSE (M+H)+GDP-mannoseME21304118396-0.936605.0702
GLUCOSE (2M+NA)+GlucoseME2130425793-0.631180.0617
GLUCOSE (M+NA)+GlucoseME2130435793-0.647180.0625
GLUTAMIC ACID (M+H)+Glutamic acidME21304433032-0.608147.0527
GLUTAMIC ACID (M+H)+[-H2O]Glutamic acidME21304533032-0.619147.0527
GLUTARYLCARNITINE (*) (M+H)+CAR DC5:0ME21304653481622-1.892275.1376
GLUTATHIONE OXIDIZED (M+H)+GlutathioneME21304765359-1.407612.1523
GLUTATHIONE OXIDIZED (M+H2)+2GlutathioneME21304865359-1.405612.154
GLYCEROL MYRISTATE (M+H)+MG 14:0ME21304979050-22.072302.2412
GLYCEROL MYRISTATE (M+H)+[-H2O]MG 14:0ME21305079050-22.099302.2496
GLYCEROL MYRISTATE (M+NA)+MG 14:0ME21305179050-22.186302.2476
GLYCOCHOLIC ACID (2M+NA)+Glycocholic acidME21305210140-18.934465.3013
GUANINE (M+H)+GuanineME213053764-0.939151.0467
GUANOSINE 5'-PHOSPHATE (M+H)+GMPME2130556804-0.976363.0592
GUANOSINE (M+H)+GuanosineME2130546802-1.876283.0928
HYPOXANTHINE (M+H)+HypoxanthineME213056790-1.105136.0388
HYPOXANTHINE (M+NA)+HypoxanthineME213057790-1.11136.0377
INOSINE 5'-PHOSPHATE (M+H)+IMPME2130608582-0.989348.0465
INOSINE (M+H)+InosineME2130586021-1.852268.0858
INOSINE (M+NA)+InosineME2130596021-1.85268.0816
ISOLEUCINE (M+H)+IsoleucineME2130616306-1.537131.0945
ISOLEUCINE (M+NA)+IsoleucineME2130626306-1.553131.0933
ISOVALERYLCARNITINE (*) (M+H)+CAR 4:0;3MeME213063169235-4.585245.163
KYNURENINE (M+H)+KynurenineME213064161166-2.235208.083
L-[15N]ANTHRANILIC ACID [ISTD] (M+H)+2-Aminobenzoic acidME213069227-5.317138.0474
L-ALLOTHREONINE (M+H)+[-H2O]AllothreonineME21306599289-0.61119.0577
LANTHIONINE (M+H)+LanthionineME213070102950-0.572208.048
L-ARGININE (M+H)+ArginineME2130666322-0.606174.1089
L-HISTIDINE (M+H)+HistidineME2130676274-0.624155.0683
LITHOCHOLIC ACID (M+NA)+Lithocholic acidME2130719903-22.296376.3003
L-TRYPTOPHAN-15N2 [ISTD] (M+H)+TryptophanME21306816217285-3.687206.0847
LYSINE (M+H)+LysineME2130725962-0.535146.1055
LYSINE (M+NA)+LysineME2130735962-0.573146.1054
MANNOSE-6-PHOSPHATE (M+H)+[-H2O]Mannose 6-phosphateME213074439198-0.566260.029
MANNOSE-6-PHOSPHATE (M+NA)+Mannose 6-phosphateME213075439198-0.573260.0279
METHIONINE (M+H)+MethionineME2130766137-0.987149.0507
METHYL JASMONATE (M+NA)+Methyl jasmonateME2130775281929-15.945224.1412
N-ACETYL-ASPARTIC ACID (M+H)+N-Acetylaspartic acidME21307965065-0.99175.0478
N-ACETYL-ASPARTIC ACID (M+H)+[-H2O]N-Acetylaspartic acidME21308065065-0.992175.0467
N-ACETYL-ASPARTIC ACID (M+NA)+N-Acetylaspartic acidME21308165065-0.987175.046
N-ACETYL-DL-METHIONINE (M+H)+[-H2O]N-AcetylmethionineME213083448580-4.099191.0611
N-ACETYL-DL-SERINE (M+H)+N-AcetylserineME21308465249-0.765147.054
N-ACETYL-DL-SERINE (M+H)+[-H2O]N-AcetylserineME21308565249-0.815147.0524
N-ACETYL-D-MANNOSAMINE (M+NA)+N-Acetyl-mannosamineME21308253477792-0.672221.0914
N-ACETYLGALACTOSAMINE (M+H)+N-Acetyl-D-galactosamineME21308935717-0.69221.0887
N-ACETYL-GLUTAMIC ACID (M+H)+N-Acetylglutamic acidME213086185-1.349189.0639
N-ACETYL-GLUTAMIC ACID (M+H)+[-H2O]N-Acetylglutamic acidME213087185-1.339189.0633
N-ACETYL-GLUTAMIC ACID (M+NA)+N-Acetylglutamic acidME213088185-1.338189.0627
N-ACETYLPUTRESCINE (M+H)+N-AcetylputrescineME213090122356-0.694130.1091
NAD (M+2H)+2NAD+ME2130935893-1.03663.1098
NAD (M+H)+NAD+ME2130945893-1.018663.11
NAD (M+NA)+NAD+ME2130955893-1.031663.1081
N-ALPHA-ACETYL-L-LYSINE (M+H)+N(2)-AcetyllysineME21309192907-0.697188.1133
NICOTINAMIDE (M+H)+NiacinamideME213096936-1.125122.0479
NICOTINE (M+H)+NicotineME213097157672-1.232162.1134
N-METHYL-ASPARTIC ACID (M+NA)+N-Methyl-D-aspartic acidME2130924376-0.59147.054
N(PAI)-METHYL-L-HISTIDINE (M+H)+3-MethylhistidineME21307864969-0.627169.0833
OCTOPAMINE (M+H)+[-H2O]OctopamineME213098440266-0.839153.0765
OLEIC ACID (M+NA)+Oleic acidME213099445639-22.519282.2563
OLEOYL-GLYCEROL (M+H)+MG 18:1ME2131005319879-22.701356.2881
OLEOYL-GLYCEROL (M+H)+[-H2O]MG 18:1ME2131015319879-22.712356.2907
OLEOYL-GLYCEROL (M+NA)+MG 18:1ME2131025319879-22.708356.2936
OMEGA-HYDROXYDODECANOIC ACID (M+H)+[-H2O]12-Hydroxy lauric acidME21310379034-17.007216.1729
ORNITHINE (M+H)+OrnithineME2131046262-0.54132.0897
PANTOTHENIC ACID (M+H)+Pantothenic acidME2131056613-3.196219.1111
PANTOTHENIC ACID (M+NA)+Pantothenic acidME2131066613-3.248219.1113
PHENYLALANINE (M+H)+PhenylalanineME2131076140-2.459165.0773
PHOSPHOCREATINE (M+H)+PhosphocreatineME2131089548602-0.722211.0338
PROCOLLAGEN 5-HYDROXY-L-LYSINE (M+H)+-ME21310983228-0.669162.1032
PROLINE (M+H)+ProlineME213110145742-0.679115.0626
PROLINE (M+NA)+ProlineME213111145742-0.671115.0627
PROPIONYLCARNITINE (*) (M+H)+CAR 3:0ME213112107738-1.655217.131
PROTOPORPHYRIN (M+H)+ProtoporphyrinME2131134971-22.946562.2637
PURINE (M+H)+PurineME2131141044-1.432120.0437
PURINE (M+NA)+PurineME2131151044-1.44120.0433
PUTRESCINE (M+H)+PutrescineME2131161045-0.65788.0986
PYRIDOXAL #2 (M+H)+PyridoxalME2131171050-2.008167.0578
PYRIDOXAL #2 (M+H)+[-H2O]PyridoxalME2131181050-2.105167.0588
PYRIDOXAL (M+H)+PyridoxalME2131191050-0.955167.058
PYRIDOXAL PHOSPHATE (M+H)+Pyridoxal 5'-phosphateME2131201051-1.378247.0249
PYRIDOXINE (M+H)+PyridoxineME2131211054-1.118169.074
RAFFINOSE (M+K)+RaffinoseME213122439242-0.731504.1679
S-ADENOSYL-L-HOMOCYSTEINE (M+H)+S-AdenosylhomocysteineME213123439155-1.539384.1243
S-ADENOSYLMETHIONINE (M+H)+S-AdenosylmethionineME21312434755-0.688398.1374
SARCOSINE (M+H)+SarcosineME2131251088-0.68589.0465
SERINE (M+H)+SerineME213126617-0.99105.0418
SN-GLYCERO-3-PHOSPHOCHOLINE (M+H)+sn-Glycero-3-phosphocholineME213127439285-0.639257.1011
SPERMIDINE (M+H)+SpermidineME2131281102-0.512145.1575
SPERMIDINE (M+NA)+SpermidineME2131291102-0.547145.1584
SPERMINE (M+H)+SpermineME2131301103-0.494202.2159
SPHINGOSINE (M+H)+SphingosineME2131315280335-20.331299.2827
STACHYOSE (M+K)+StachyoseME213132439531-0.656666.2205
STACHYOSE (M+NA)+StachyoseME213133439531-0.648666.2131
STEAROYLCARNITINE (*) (M+H)+CAR 18:0ME21313452922056-21.589427.3581
SUCROSE (M+NA)+SucroseME2131355988-0.671342.1165
THIAMIN M+ThiamineME2131361130-0.688265.1117
THIAMIN M+[-C6H9NOS]ThiamineME2131371130-0.686265.1109
THREONINE (M+H)+[-H2O]ThreonineME2131386288-0.894119.0579
THYMIDINE 5'-MONOPHOSPHATE (2M+NA)+TMPME21314012803287-1.44322.0527
THYMIDINE (M+NA)+ThymidineME2131395789-2.823242.094
THYROTROPIN RELEASING HORMONE (M+NA)+Thyrotropin releasing hormoneME213141638678-1.479362.17
TRYPTOPHAN (M+H)+TryptophanME2131426305-3.687204.0865
TRYPTOPHAN (M+NA)+TryptophanME2131436305-3.682204.087
TYROSINE (M+H)+TyrosineME2131446057-1.335181.0732
TYROSINE (M+NA)+TyrosineME2131456057-1.332181.0732
UDP-N-ACETYL-D-GALACTOSAMINE (M+NA)+UDP-N-acetylgalactosamineME21314623724461-0.932607.0787
UDP-N-ACETYL-D-GLUCOSAMINE (M+H)+UDP-N-acetylglucosamineME213147445675-1.213607.0807
UDP-N-ACETYL-D-GLUCOSAMINE (M+NA)+UDP-N-acetylglucosamineME213148445675-1.232607.08
URIDINE-5-MONOPHOSPHATE (M+H)+UMPME2131496030-0.857324.0364
UROCANIC ACID (M+H)+Urocanic acidME213150736715-0.944138.0436
VALINE (M+H)+ValineME2131516287-0.891117.0791
VALINE (M+NA)+ValineME2131526287-0.873117.0774
VITAMIN B12 (M+2H)+2Vitamin B12ME213153118701016-6.9281354.5659
VITAMIN B12 (M+2NA)+2Vitamin B12ME213154118701016-6.9351354.569
ZEATIN [ISTD] (M+H)+trans-ZeatinME213155449093-3.954219.1125


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