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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
1-AMINOCYCLOPROPANE-1-CARBOXYLATE1-Aminocyclopropanecarboxylic acidME236316535-0.69102.0552
2,6-Dimethylheptanoyl CarnitineCAR 7:0;2Me,6MeME23631753477823-10.70302.2317
2-hydroxyglutarate+Na2-Hydroxyglutaric acidME236318--1.50171.0261
2-hydroxyglutarate-water_R1-ME236319--1.46131.0339
2-hydroxyglutarate-water_R2-ME236320--1.57131.0339
2-Hydroxyphenylalanine2-Hydroxy-L-PhenylalanineME2363216950574-3.28182.0809
3-HYDROXYANTHRANILIC ACID3-Hydroxyanthranilic acidME23632286-5.22154.0493
3-METHOXYTYRAMINE3-MethoxytyramineME2363231669-6.24168.1014
3-UREIDOPROPIONATEUreidopropionic acidME236324111-1.17133.0605
4-AMINOBUTANOATE (GABA)_R1gamma-Aminobutyric acidME236325119-0.80104.0709
4-AMINOBUTANOATE (GABA)_R2gamma-Aminobutyric acidME236326119-0.98104.0709
4-HYDROXYPROLINEcis-4-HydroxyprolineME2363275810-0.71132.0654
4-IMIDAZOLEACETIC ACIDImidazoleacetic acidME23632896215-0.90127.0500
5-AMINOLEVULINIC ACID5-Amino-levulinic acidME236329137-0.99132.0654
5-hydroxyindoleacetic acid5-Hydroxyindoleacetic acidME2363301826-6.49192.0651
5-HYDROXY-L-TRYPTOPHAN_R15-Hydroxy-tryptophanME236331144-6.88221.0915
5-HYDROXY-L-TRYPTOPHAN_R25-Hydroxy-tryptophanME236332144-6.73221.0914
5-Hydroxymethyl-2-furaldehyde_R15-Hydroxymethyl-2-furancarboxaldehydeME236333237332-0.69127.0389
5-Hydroxymethyl-2-furaldehyde_R25-Hydroxymethyl-2-furancarboxaldehydeME236334237332-0.80127.0389
5-Hydroxy-N-formylkynurenine5-Hydroxy-N-formylkynurenineME236335440744-11.12253.0813
6C-SUGAR ALCOHOL-ME236336--0.71205.0676
Acyl-Carnitine(5-OH)_R1CAR 5:0;OHME236337--6.70262.1643
Acyl-Carnitine(5-OH)_R2CAR 5:0;OHME236338--6.76262.1642
ALANINE/SARCOSINEAlanine/SarcosineME236339--0.6990.0554
ALDO/KETO-HEXOSE_R1HexoseME236340--0.71203.0521
ALDO/KETO-HEXOSE_R2HexoseME236341--0.90203.0520
ALLANTOINAllantoinME236342204-0.80159.0510
AllopurinolAllopurinolME2363432094-6.07137.0456
ALPHA-AMINOADIPATE/N-METHYL-L-GLUTAMATE-ME236344--0.83162.0758
Anthranilate2-Aminobenzoic acidME236345227-8.62120.0444
ASPARTATE_R1Aspartic acidME2363465960-0.70134.0446
ASPARTATE_R2Aspartic acidME2363475960-0.81134.0446
BOC-D-Phenylalanine_R1-ME236348--11.40166.0860
BOC-D-Phenylalanine_R2-ME236349--11.41288.1198
BOC-L-Tyrosine_R1TyrosineME236350---182.0808
BOC-L-Tyrosine_R2TyrosineME236351---304.1147
BUTYROBETAINE3-DehydroxycarnitineME236352725C011811.17146.1173
C5-SUGAR ALCOHOLDihydroxyquinolineME236353--0.72175.0580
CARNOSINECarnosineME236354439224-0.70227.1141
Chenodeoxycholic Acid (CDCA)_R1Chenodeoxycholic acidME236355--12.34357.2777
Chenodeoxycholic Acid (CDCA)_R2Chenodeoxycholic acidME236356--12.28357.2778
Chenodeoxycholic Acid (CDCA)_R3Chenodeoxycholic acidME236357--12.33375.2883
Chenodeoxycholyglycine (GCDCA)_R1Glycochenodeoxycholic acidME236358--11.29432.3099
Chenodeoxycholyglycine (GCDCA)_R2Glycochenodeoxycholic acidME236359--11.29450.3204
Chenodeoxycholyglycine (GCDCA)_R3Glycochenodeoxycholic acidME236360--11.42450.3204
Chenodeoxycholyglycine (GCDCA)_R4Glycochenodeoxycholic acidME236361--11.29414.2992
Cholic Acid_R1Cholic acidME236362--11.14373.2727
Cholic Acid_R2Cholic acidME236363--11.13426.3201
CholineCholineME236364305-0.81104.1072
CITRATECitric acidME236365311-1.83193.0340
Citrate+NaCitric acidME236369--1.83215.0157
Citrate+NH3Citric acidME236370--1.83210.0604
Citrate source fragment (+H and + NH3)-ME236366--1.83129.0185
Citrate source fragment (+NH3)_R1-ME236367--1.84175.0234
Citrate source fragment (+NH3)_R2-ME236368--1.83157.0131
CITRULLINECitrullineME2363719750-0.76176.1022
CREATINECreatineME236372586-0.88132.0766
Creatine-D3CreatineME236373--0.88135.0954
CREATININECreatinineME236374588-0.90114.0663
CYS-GLYCys-GlyME236375439498-0.91179.0479
CYTIDINE 2',3'-CYCLIC MONO-PHOS-PHATE2',3' cyclic CMPME23637653481030-1.02306.0479
D-GLUCOSAMINE 6-PHOSPHATEGlucosamine 6-phosphateME236377440997-0.76260.0530
DihydroxyquinoineDihydroxyquinolineME23637854680871-7.93162.0547
DiphenylamineDiphenylamineME23637911487-13.65170.0964
D-RiboseRiboseME23638010975657-0.82173.0417
Formyl-5-hydroxykynurenamineFormyl-5-hydroxykynurenamineME236381440743-11.14209.0913
FormylkynurenineN-Formyl-L-kynurenineME236382910-10.66237.0864
GLUCONIC ACID/D-GULONIC ACID GAMA-LACTONEGluconic acid/GulonolactoneME236383--0.77219.0474
GLUCOSAMINE/MANNOSAMINE-ME236384--0.72180.0862
Glycerophosphocholinesn-Glycero-3-phosphocholineME23638571920-0.76258.1093
GLYCINEGlycineME236386750-0.6776.0398
GLYCOCHOLATEGlycocholic acidME23638710140-9.83466.3154
Glycocholic Acid (GCA)_R1Glycocholic acidME236388--10.45466.3154
Glycocholic Acid (GCA)_R2Glycocholic acidME236389--10.36466.3154
Glycocholic Acid (GCA)_R3Glycocholic acidME236390--10.46448.3048
Glycocholic Acid (GCA)_R4Glycocholic acidME236391--10.45430.2943
Glycocholic Acid (GCA)_R5Glycocholic acidME236392--10.45483.3418
Glycocholic Acid (GCA)_R6Glycocholic acidME236393--10.44488.2971
Glycocholic Acid (GCA)_R7Glycocholic acidME236394--10.46504.2621
Glycodeoxycholic acid (GDCA)_R1Glycodeoxycholic acidME236395--11.38432.3099
Glycodeoxycholic acid (GDCA)_R2Glycodeoxycholic acidME236396--11.36472.3022
Glycoursodeoxycholic acid (G-UDCA)_R1Glycoursodeoxycholic acidME236397--10.62450.3204
Glycoursodeoxycholic acid (G-UDCA)_R2Glycoursodeoxycholic acidME236398--10.62432.3099
Glycoursodeoxycholic acid (G-UDCA)_R3Glycoursodeoxycholic acidME236399--10.62414.2992
Glycoursodeoxycholic acid (G-UDCA)_R4Glycoursodeoxycholic acidME236400--10.62472.3022
GUANIDINOACETATEGuanidoacetic acidME236401763-0.77118.0616
HEXOSE-DISACCHARIDEHexose disaccharideME236402--0.82365.1043
HOMOCYSTEINEHomocysteineME236403778-0.89136.0423
Hydroxyhippuric acidHydroxyhippuric acidME23640410253-7.94196.0390
IsobutyrylcarnitineCAR 3:0;2MeME23640510177002-7.45232.1539
Isovalerylcarnitine_R1CAR 4:0;3MeME236406169235-8.11246.1694
Isovalerylcarnitine_R2CAR 4:0;3MeME236407169235-8.00246.1694
Kynurenic AcidKynurenic acidME2364083845-7.74190.0495
LactoseLactoseME23641084571-0.73343.1222
Lactose+KLactoseME236411--0.80381.0781
L-ALLOTHREONINE_R1AllothreonineME23641299289-0.70142.0476
L-ALLOTHREONINE_R2AllothreonineME23641399289-0.85142.0475
L-ANSERINEAnserineME236414112072-0.75241.1285
L-ARGININEArginineME2364156322-0.70175.1186
L-ASPARAGINEAsparagineME2364166267-0.71133.0607
L-CARNITINECarnitineME23641710917-0.92162.1121
L-CYSTEINECysteineME2364185862-0.71122.0271
Leu ProLeu-ProME236419--7.32229.1541
L-GLUTAMINEGlutamineME2364205961-0.72147.0760
L-HISTIDINEHistidineME2364216274-0.70156.0765
L-HOMOCYSTEINE THIOLACTONEL-Homocysteine thiolactoneME236422134505-1.04118.0321
L-IsoleucineIsoleucineME2364236306-2.16132.1018
L-KYNURENINEKynurenineME236424161166-6.48209.0916
L-(+)-Lactic AcidLactic acidME236409612-0.7791.0393
L-LEUCINELeucineME236425857-2.46132.1018
L-Leucine 13C6LeucineME236426--2.46138.1219
L-Leucine-D10LeucineME23642716213587-2.43142.1645
L-LYSINELysineME2364285962-0.67147.1125
L-Phenylalanine 13C6PhenylalanineME236429--6.25172.1062
L-PROLINEProlineME236430145742-0.81116.0707
L-SERINESerineME2364315951-0.71106.0501
L-VALINE/5-AMINOPENTANOATE/L-NORVALINE-ME236432--1.26118.0863
LysoPC (16:0)_R1LPC 16:0ME236433460602-13.59496.3388
LysoPC (16:0)_R2LPC 16:0ME236434--13.59518.3206
LysoPC (16:0)_R3LPC 16:0ME236435460602-13.44496.3388
LysoPC (16:1)_R1LPC 16:1ME23643624779461-12.82494.3231
LysoPC (16:1)_R2LPC 16:1ME23643724779461-12.71494.3231
LysoPC (18:0)LPC 18:0ME236438--14.72524.3700
LysoPC (20:4)LPC 20:4ME236439--13.77544.3364
LysoPE (18:0)LPE 18:0ME236440--14.47482.3231
LysoPE (18:1)LPE 18:1ME2364419547071-13.61480.3077
LysoPE (20:4)_R1LPE 20:4ME236442--12.99502.2918
LysoPE (20:4)_R2LPE 20:4ME236443--12.87502.2918
LysoPE (22:4)_R1LPE 22:4ME236444--13.43530.3227
LysoPE (22:4)_R2LPE 22:4ME236445--13.52530.3226
LysoPE (22:4)_R3LPE 22:4ME236446--13.60530.3227
LysoPE (22:6)_R1LPE 22:6ME236447--12.99526.2916
LysoPE (22:6)_R2LPE 22:6ME236448--12.90526.2914
Methionine SulfoxideMethionine sulfoxideME236449847-0.76166.0529
METHYL BETA-D-GALACTOSIDEMethyl beta-D-galactosideME23645094214-0.99217.0682
N1-Methyl-4-pyridone-5-carboxamideN1-Methyl-4-pyridone-3-carboxamideME236452440810-4.78153.0652
N-Acetyl-ArginineN-AcetylarginineME23645367427-1.48217.1291
N-ACETYL-D-TRYPTOPHANN-Acetyl-D-tryptophanME236454439917-8.62247.1070
N-ACETYLGLYCINEN-AcetylglycineME23645510972-1.16140.0317
N-ACETYL-HEXOSAMINEN-AcetylhexosamineME236456--0.75244.0785
N-ACETYL-L-ASPARTIC ACIDN-Acetylaspartic acidME23645765065-1.71176.0550
N-ACETYLNEURAMINATEN-Acetylneuraminic acidME236458439197-0.80310.1123
N-ACETYLPUTRESCINEN-AcetylputrescineME236459122356-1.07131.1176
N-ALPHA-ACETYL-L-LYSINE_R1N(2)-AcetyllysineME23646092907-1.18189.1229
N-ALPHA-ACETYL-L-LYSINE_R2N(2)-AcetyllysineME23646192907-1.12189.1228
N-BOC-L-Aspartic AcidAspartic acidME23646299718--134.0446
N-BOC-L-tert-Leucine-ME2364632734668-10.86132.1017
N-BOC-L-TryptophanTryptophanME23646483169--205.0967
NEPSILON,NEPSILON,NEPSILON-TRIMETHYLLYSINEN-6-TrimethyllysineME236465440120-0.71189.1593
N-formyl-L-methionineN-FormylmethionineME236466439750-6.96178.0532
NICOTINAMIDENiacinamideME236467936-1.49123.0554
N-METHYL-D-ASPARTIC ACIDN-Methyl-D-aspartic acidME23646822880-0.73148.0602
N(PAI)-METHYL-L-HISTIDINE3-MethylhistidineME23645164969-0.71170.0919
O-ACETYL-L-SERINEO-AcetylserineME23646999478-1.02148.0602
OctanoylcarnitineCAR 8:0ME23647011953814-10.46288.2162
ORNITHINEOrnithineME2364716262-0.61133.0969
Pantothenic AcidPantothenic acidME2364726613-6.65220.1174
PhenylalaninePhenylalanineME2364736140-6.24166.0860
Phenylalanine-HCOOH-ME236474--6.24120.0808
PHOSPHOCHOLINECholine phosphateME2364751014-0.73184.0724
PIPECOLATE/L-PIPECOLIC ACIDPipecolic acidME236476439227-1.19130.0862
ProprionylcarnitineCAR DC3:0ME236477107738-6.74218.1384
Pyroglutamic AcidPyroglutamic acidME2364787405-1.73130.0498
QUINATE_R1Quinic acidME2364796508-0.90215.0525
QUINATE_R2Quinic acidME2364806508-0.77193.0701
RIBOFLAVINRiboflavinME236481493570-7.99377.1444
S-CARBOXYMETHYL-L-CYSTEINES-Carboxymethyl-cysteineME236482193653-0.81180.0323
SEROTONINSerotoninME2364835202-6.90177.1019
SEROTONIN-NH3SerotoninME2364845202-6.85160.0754
Source Fragment TRP-ME236485--7.66118.0651
SPERMIDINESpermidineME2364861102-0.56146.1649
SPERMINESpermineME2364871103-0.55203.2226
Stachydrine_R1StachydrineME236488115244-1.00144.1017
Stachydrine_R2StachydrineME236489115244-1.07144.1017
TAURINETaurineME2364901123-0.70126.0219
Taurocholic acid (TCA)_R1Taurocholic acidME236491--10.04533.3242
Taurocholic acid (TCA)_R2Taurocholic acidME236492--10.05516.2973
Taurodeoxycholic Acid (T-DCA)_R1Taurodeoxycholic acidME236493--10.76464.2817
Taurodeoxycholic Acid (T-DCA)_R2Taurodeoxycholic acidME236494--10.76517.3291
Taurodeoxycholic Acid (T-DCA)_R3Taurodeoxycholic acidME236495--10.76482.2921
Taurodeoxycholic Acid (T-DCA)_R4Taurodeoxycholic acidME236496--10.79522.2844
THIAMINEThiamineME2364971130C003781.22265.1105
THREONINE/HOMOSERINEThreonine/HomoserineME236498--0.72120.0655
TriethanolamineTriethanolamineME2364997618-0.76150.1122
TrigonellineTrigonellineME2365005570-0.87138.0544
TryptophanTryptophanME2365016305-7.65205.0968
Tryptophan-2,3,3-D3TryptophanME236502--7.64208.1158
Tryptophan-2,3,3-D3-NH3TryptophanME236503--7.67191.0892
Tryptophan-NH3TryptophanME236504--7.66188.0702
UracilUracilME2365051174-1.27113.0347
Ursodeoxycholic Acid (UDCA)_R1Ursodeoxycholic acidME236506--11.44357.2778
Ursodeoxycholic Acid (UDCA)_R2Ursodeoxycholic acidME236507--11.42375.2883
Xanthurenic AcidXanthurenic acidME2365085699-7.49206.0444


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
2',4'-DIHYDROXYACETOPHENONE2',4'-DihydroxyacetophenoneME2365096990-9.40151.0402
2-deoxy-D-galactose (fructose/glucose)_R1-ME236510--0.98163.0611
2-deoxy-D-galactose (fructose/glucose)_R22-Deoxy-galactoseME236511--1.11163.0612
2-hydroxyglutarate2-Hydroxyglutaric acidME23651243-1.40147.0300
2-Hydroxyhippuric acid_R1Salicyluric acidME23651310253-7.23194.0459
2-Hydroxyhippuric acid_R2Salicyluric acidME23651410253-7.36194.0459
3-(2-HYDROXYPHENYL)PROPANOATE3-(2-Hydroxyphenyl)propanoic acidME236515873-8.77165.0557
3-HYDROXY-3-METHYLGLUTARATE3-Hydroxymethylglutaric acidME2365161662-3.20161.0456
3-Hydroxydecanoic acid3-Hydroxydecanoic acidME23651726612-11.29187.1340
3-HYDROXYKYNURENINEHydroxykynurenineME23651889-3.10223.0725
3-METHOXY-4-HYDROXYMANDELATEVanillylmandelic acidME236519736172-5.16197.0455
3-methyladipic acid3-Methyladipic acidME23652012292-7.85159.0663
3-SULFINO-L-ALANINE3-Sulfino-alanineME2365211549098-0.81152.0023
3-UREIDOPROPIONATEUreidopropionic acidME236522111-1.24131.0462
4-ACETAMIDOBUTANOATE4-Acetamidobutanoic acidME23652318189-3.62144.0666
4-GUANIDINOBUTANOATE4-Guanidinobutanoic acidME236524500-1.54144.0779
4-Hydroxyphenylacetate4-Hydroxyphenyl acetateME236525127-8.49151.0402
4-METHYL-2-OXO-PENTANOIC ACIDKetoleucineME23652670-6.95129.0558
4-oxoproline;5-OXO-L-PROLINE4-Oxo-prolineME2365271075417405-1.76128.0354
5-AMINOLEVULINIC ACID;4-HYDROXYPROLINE;trans-4-Hyd...5-Amino-levulinic acidME236528--0.72130.0510
5-HYDROXY-L-TRYPTOPHAN5-Hydroxy-tryptophanME236529144-6.87219.0775
6-Hydroxycaproic acid_R16-Hydroxycaproic acidME23653014490-7.93131.0714
6-Hydroxycaproic acid_R26-Hydroxycaproic acidME23653114490-7.63131.0713
6-PHOSPHOGLUCONIC ACID_R16-Phosphogluconic acidME23653291493-0.93275.0215
6-PHOSPHOGLUCONIC ACID_R26-Phosphogluconic acidME23653391493-0.81275.0220
ADPADPME2365346022-1.04426.0215
ALDOPENTOSEAldopentoseME236535--0.84149.0456
a-LINOLENIC ACIDalpha-Linolenic acidME2365365280934-15.42277.2172
ALLANTOINAllantoinME236537204-0.80157.0367
ALPHA-HYDROXYISOBUTYRIC ACID2-Hydroxyisobutyric acidME23653811671-2.25103.0399
ALPHA-KETOGLUTARIC ACID+2H2-Oxoglutaric acidME23653951-0.77147.0300
Arachidonic Acid (20:4)Arachidonic acidME236540444899-15.88303.2330
ASCORBIC ACIDVitamin CME23654154670067-1.18175.0246
ASPARAGINEAsparagineME2365426267-0.71131.0462
ASPARTATEAspartic acidME23654383887-0.80132.0303
AZELAIC ACIDAzelaic acidME2365442266-8.61187.0975
Billirubin-ME236545--11.74583.2561
BOC-L-Tyrosine_R1TyrosineME236546---280.1189
BOC-L-Tyrosine_R2TyrosineME236547---206.0459
C6H12O6-HEXOSE/KETOSE/INOSITOLHexoseME236548--0.71179.0562
Catechol SulfateCatechol sulfateME2365493083879-7.11188.9864
Chenodeoxycholic Acid (CDCA);Deoxycholic Acid (DCA...Chenodeoxycholic acidME236550--12.34391.2854
Chenodeoxycholic Acid (CDCA);Deoxycholic Acid (DCA...Chenodeoxycholic acidME236551--12.32437.2910
CHOLATE_R1Cholic acidME236552221493-10.45407.2803
CHOLATE_R2Cholic acidME236553221493-10.34407.2803
Cholic Acid_R1Cholic acidME236554--11.12453.2861
Cholic Acid_R2Cholic acidME236555--11.13407.2803
Cholic Acid_R3Cholic acidME236556--11.14443.2575
CITRAMALATECitramalic acidME2365571081-2.20147.0300
CITRATECitric acidME236558311-1.85191.0198
CITRULLINECitrullineME2365599750-0.78174.0884
CREATINECreatineME236560586-0.89130.0622
Creatine-D3CreatineME236561--0.88133.0811
DECANOATECapric acidME2365622969-11.74171.1390
D-GLUCURONIC ACID/D-GLUCURONOLACTONE/D-(+)-GALACTU...-ME236563--0.74193.0351
Docosahexaenoic Acid (22:6);Docosahexanoic AcidDHAME236564445580-15.67327.2330
D-SACCHARIC ACID_R1Glucaric acidME23656533037-0.75209.0303
D-SACCHARIC ACID_R2Glucaric acidME23656633037-0.87209.0304
EDTAEdetic acidME2365676049-0.95291.0835
Eicosapentaenoic AcidEicosapentaenoic acidME236568446284-15.27301.2173
ERYTHRITOLErythritolME236569222285-0.73157.0271
FERULATEtrans-Ferulic acidME236570445858-8.38193.0488
Ferulic acid sulfateFerulic acid 4-sulfateME2365716305574-8.33273.0076
Fumaric AcidFumaric acidME236572444972C001221.97115.0036
GLUCONIC ACID/D-GULONIC ACID GAMA-LACTONEGluconic acid/GulonolactoneME236573--0.73195.0510
GLUCOSE/FRUCTOSE_R1HexoseME236574-C00293/C014960.73215.0329
GLUCOSE/FRUCTOSE_R2HexoseME2365755793-0.73217.0297
GLYCERIC ACIDGlyceric acidME236576439194-0.81105.0187
GLYCEROL 2-PHOSPHATE/SN-GLYCEROL 3-PHOSPHATEPhosphoglyceric acidME236577--0.73171.0060
GLYCOCHOLATE_R1Glycocholic acidME23657810140-9.90464.3019
GLYCOCHOLATE_R2Glycocholic acidME23657910140-9.76464.3018
Glycocholic Acid (GCA)_R1Glycocholic acidME236580--10.45464.3018
Glycocholic Acid (GCA)_R2Glycocholic acidME236581--10.30464.3018
Glycodeoxycholic acid (GDCA);Chenodeoxycholyglycin...Glycodeoxycholic acidME236582--11.30448.3070
GLYCOLATEGlycolic acidME236583757-0.8575.0082
Glycoursodeoxycholic acid (G-UDCA)Glycoursodeoxycholic acidME236584--10.62448.3070
GUANIDINOACETATEGuanidoacetic acidME236585763-0.77116.0465
GuanosineGuanosineME2365866802-6.24282.0843
HEXANESULFONIC ACID-Sulfate-ME236587--8.2979.9565
INDOLE-3-ACETATEIndoleacetic acidME236588802-9.12174.0560
INDOXYL SULFATEIndoxyl sulfateME23658992769-7.85212.0023
ISOCITRIC ACIDIsocitric acidME2365901198-1.14191.0198
Kynurenic AcidKynurenic acidME2365913845-7.72188.0353
LACTATELactic acidME236592612-1.1989.0239
LACTATE-dimer-ME236593--1.19201.0381
L-ARGININEArginineME2365946322-0.72173.1046
L-CARNITINECarnitineME23659510917-0.95196.0744
L-CYSTEINECysteineME2365965862-0.77120.0128
LEUCINELeucineME236597857-2.44130.0873
L-GLUTAMIC ACID;N-METHYL-D-ASPARTIC ACID;O-ACETYL-...Glutamic acidME236598--0.76146.0459
L-GLUTAMINEGlutamineME2365995961-0.72145.0619
L-HISTIDINEHistidineME2366006274-0.69154.0623
Linoleic Acid (18:2)Linoleic acidME2366015280450-16.15279.2330
L-ISOLEUCINEIsoleucineME2366026306-2.18130.0873
L-KYNURENINEKynurenineME236603161166-6.49207.0775
LL-2,6-DIAMINOHEPTANEDIOATE2,6-Diaminopimelic acidME236604439283-0.82189.0881
L-METHIONINEMethionineME2366056137-1.35148.0437
L-Phenylalanine-13C6PhenylalanineME23660671309396-6.23170.0919
L-SERINESerineME2366075951-0.69104.0352
L-TYROSINETyrosineME2366086057-3.30180.0666
L-Tyrosine-13C6TyrosineME23660912144755-3.29186.0866
L-VALINEValineME2366106287-1.09116.0717
LysoPC (18:1)LPC 18:1ME236611--13.72566.3465
LysoPE (16:0)_R1LPE 16:0ME236612--13.43452.2786
LysoPE (16:0)_R2LPE 16:0ME236613--13.25452.2785
LysoPE (18:0)LPE 18:0ME236614--14.47480.3097
LysoPE (18:1)_R1LPE 18:1ME236615--13.58478.2941
LysoPE (18:1)_R2LPE 18:1ME236616--13.47478.2941
LysoPE (20:4)LPE 20:4ME236617--12.84500.2787
LysoPE (22:6)LPE 22:6ME236618--12.91524.2784
MALATE;OXALOACETATE+2H-HMalic acidME23661992824-1.05133.0143
Mannitol;HEXOSE ALCOHOLMannitolME23662062516-0.73181.0718
Mono-(2-Ethylhexyl) Phthalate DimerMonoethylhexyl phthalic acidME23662120393-13.59540.3308
Monoethyl phthalate (mEP)-ME236622--9.90193.0506
N-ACETYL-DL-GLUTAMIC ACIDN-Acetylglutamic acidME236623185-2.14188.0564
N-ACETYL-DL-SERINE;O-ACETYL-L-SERINEN-AcetylserineME236624--1.06146.0459
N-ACETYL-D-MANNOSAMINEN-Acetyl-mannosamineME236625439281-0.81256.0595
N-ACETYLGLYCINEN-AcetylglycineME23662610972-1.16116.0353
N-ACETYLNEURAMINATEN-Acetylneuraminic acidME236627439197-0.80308.0990
N-ACETYLSEROTONINN-AcetylserotoninME236628903-8.12218.1014
NALPHA-ACETYL-L-LYSINEN(2)-AcetyllysineME23662992907-1.21187.1087
N-BOC-L-Aspartic Acid_R1Aspartic acidME236630---232.0826
N-BOC-L-Aspartic Acid_R2Aspartic acidME236631---158.0096
N-BOC-L-tert-Leucine_R1-ME236632--10.86156.0666
N-BOC-L-tert-Leucine_R2-ME236633--10.86230.1396
N-BOC-L-Tryptophan_R1TryptophanME236634---303.1351
N-BOC-L-Tryptophan_R2TryptophanME236635---229.0618
N-FORMYLGLYCINEN-FormylglycineME23663675606-0.96102.0195
N-formyl-L-methionineN-FormylmethionineME236637439750-6.94176.0386
N-METHYL-L-GLUTAMATE;ALPHA-AMINOADIPATE;L-2-Aminoa...N-Methyl-glutamic acidME236638--0.82160.0616
N-METHYL-L-GLUTAMATE;ALPHA-AMINOADIPATE;L-2-Aminoa...N-Methyl-glutamic acidME236639--0.95160.0615
Pantothenic AcidPantothenic acidME2366406613-6.63218.1034
PHOSPHOCHOLINECholine phosphateME2366411014-0.73218.0324
Plasmenyl-LysoPE (P-18:1)LPE P-18:1ME236642--13.87462.2997
PYRIDOXALPyridoxalME2366431050-1.89166.0510
PYRIDOXAMINEPyridoxamineME2366441052-1.00203.0562
PyruvatePyruvic acidME236645107735-1.0587.0084
Salicylic Acid-D4Salicylic acidME23664646782907-9.98141.0495
SARCOSINE/BETA-ALANINE-ME236647--0.8888.0398
S-CARBOXYMETHYL-L-CYSTEINES-Carboxymethyl-cysteineME236648193653-0.78178.0178
Sphingosine-1-phosphateSphingosine 1-phosphateME2366495283560-12.41378.2414
SUCCINATESuccinic acidME2366501110-2.23117.0193
Succinic-2,2,3,3-D4 Acid-ME236651--2.19121.0443
SulfoacetaldehydeSulfoacetaldehydeME236652160226-0.72122.9758
TARTARIC ACIDTartaric acidME236653444305-0.83149.0092
TAURINETaurineME2366541123-0.70124.0073
Taurocholic acid (TCA)Taurocholic acidME236655--10.01514.2844
Taurodeoxycholic Acid (T-DCA)Taurodeoxycholic acidME236656--10.76498.2897
Tauroursodeoxycholic acid (T-UDCA)Tauroursodeoxycholic acidME236657--10.11498.2895
THREONINE/HOMOSERINEThreonine/HomoserineME236658--0.71118.0510
TryptophanTryptophanME2366596305-7.65203.0827
Tryptophan-2,3,3-D3TryptophanME236660--7.64206.1014
UracilUracilME2366611174-1.25111.0200
URATE_R1Uric acidME2366621175-1.73167.0211
URATE_R2Uric acidME2366631175-1.95167.0207
UROCANATEUrocanic acidME236664736715-1.89137.0357
Ursodeoxycholic Acid (UDCA)_R1Ursodeoxycholic acidME236665--11.71437.2910
Ursodeoxycholic Acid (UDCA)_R2Ursodeoxycholic acidME236666--11.53437.2910
Vanilloylglycine_R1VanilloylglycineME2366673083688-7.63224.0553
Vanilloylglycine_R2VanilloylglycineME2366683083688-7.82224.0558
Xanthurenic AcidXanthurenic acidME2366695699-7.48204.0299


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