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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_18:0ME20197518631368-25.44761.5976
18:0 LYSO-PE (M-H)-LPE 18:0ME2019769547068-22.66481.3163
2-DEOXY-D-GLUCOSE (M+CL)-2-Deoxy-glucoseME201977439268-0.84164.0685
2-HYDROXY-3-METHYLBUTYRIC ACID (M-H)-2-Hydroxy-3-methylbutyric acidME201978853180-3.47118.0622
2-METHYLMALEIC ACID (M-H)-Citraconic acidME201979643798-1.81130.0261
3-(4-HYDROXYPHENYL)LACTIC ACID (M-H)-Hydroxyphenyllactic acidME201980440177-3.8182.0582
3-HYDROXY-3-METHYLGLUTARIC ACID (M-H)-3-Hydroxymethylglutaric acidME2019811662-1.62162.0522
4-ACETAMIDOBUTANOIC ACID (M-H)-4-Acetamidobutanoic acidME20198218189-1.79145.073
4-NITROPHENOL (M-H)-4-NitrophenolME201983980-7.04139.0268
5'-METHYLTHIOADENOSINE (M+CL)-5'-MethylthioadenosineME201984439176-4.54297.0892
5-OXOPROLINE (M-H)-Pyroglutamic acidME2019857405-1.15129.0427
ADENOSINE 5'-MONOPHOSPHATE (2M-H)+AMPME2019866083-1.01347.0593
ADENOSINE 5'-MONOPHOSPHATE (M-H)-AMPME2019876083-1.01347.0622
ADIPIC ACID (M-H)-Adipic acidME201988196-3.5146.0585
ADP-RIBOSE (M-H)-ADP-riboseME20198933576-0.89559.0675
ARACHIDIC ACID (M-H)-Arachidic acidME20199010467-23.62312.3027
ARACHIDONIC ACID (M-H)-Arachidonic acidME201991444899-22.75304.2403
ASPARTIC ACID (M-H)-Aspartic acidME2019925960-0.68133.0372
AZELAIC ACID (M-H)-Azelaic acidME2019932266-10.69188.1048
BEHENIC ACID (M-H)-Behenic acidME2019948215-24.1340.3334
BENZOIC ACID #2 (M-H)-Benzoic acidME201995243-8.25122.0367
BENZOIC ACID (M-H)-Benzoic acidME201996243-4.97122.0364
BIOTIN (M-H)-BiotinME20199711966127-6.24244.0883
C12 GALACTOSYL(BETA) CERAMIDE (D18:1/12:0) (M+CL)--ME20199846891735-23.27643.5025
CIS-11-EICOSENOIC ACID (M-H)-cis-Gondoic acidME2019995282768-23.3310.2879
CITRIC ACID (M-H)-Citric acidME202000311-1.06192.0268
CREATINE (M-H)-CreatineME202001586-0.72131.0687
CYSTEIC ACID (M-H)-Cysteic acidME20200272886-0.73187.0187
CYTIDINE 5'-DIPHOSPHOCHOLINE (2M-H)-CDP-cholineME20200413804-0.61488.1076
CYTIDINE 5'-DIPHOSPHOCHOLINE (M+CL)-CDP-cholineME20200513804-0.74488.1093
CYTIDINE (M-H)-CytidineME2020036175-0.72243.0838
DECANOIC ACID (M-H)-Capric acidME2020072969-19.84172.1464
DEOXYCHOLIC ACID (M-H)-Deoxycholic acidME202008222528-21.71392.2924
DEOXYURIDINE (M+CL)-DeoxyuridineME20200913712-1.67228.0748
D-GLUCOSE 6-PHOSPHATE (M-H)-Glucose 6-phosphateME2020065958-0.81260.0304
DIHYDROOROTIC ACID (M-H)-Dihydroorotic acidME2020101149667-0.75158.03
DIPALMITOYL PHOSPHATIDYLETHANOLAMINE (M-H)-PE 16:0/16:0ME202011445468-24.63691.5157
EDTA (M-H)-Edetic acidME2020126049-1.19292.0939
EPIBRASSINOLIDE [ISTD] (M+CL)-24-epi-BrassinolideME202013115196-19.81480.345
ERUCIC ACID (M-H)-cis-Erucic acidME2020145281116-23.69338.3184
ETHANOLAMINE PHOSPHATE (M-H)-PhosphoethanolamineME2020151015-0.82141.0188
FUMARIC ACID (2M-H)-Fumaric acidME202016444972-1.28116.0113
FUMARIC ACID (M-H)-Fumaric acidME202017444972-1.28116.0108
GDPMANNOSE (M-H)-GDP-mannoseME20201818396-0.86605.0879
GLUCONIC ACID (M-H)-Gluconic acidME20201910690-0.72196.0581
GLUCOSE (M+CL)-GlucoseME2020205793-0.7180.0649
GLUCURONIC ACID (M-H)-Glucuronic acidME20202194715-0.73194.0421
GLUTAMIC ACID (M-H)-Glutamic acidME20202233032-0.69147.0537
GLUTARIC ACID (M-H)-Glutaric acidME202023743-2.04132.0419
GLUTATHIONE (OXIDIZED) (M-H)-GlutathioneME20202465359-1.37612.1528
GLYCEROL 2-PHOSPHATE (M-H)-sn-Glycero-2-phosphateME2020252526-0.79172.0145
GLYCEROL MYRISTATE (M+CL)-MG 14:0ME20202679050-22.19302.2487
GLYCINE (M-H)-GlycineME202027750-0.6975.0323
GUANOSINE (M-H)-GuanosineME2020286802-1.86283.0899
HEPTADECANOIC ACID (M-H)-Margaric acidME20202910465-23270.2556
HOMOSERINE (M-H)-HomoserineME20203012647-0.69119.0577
HOMOVANILLIC ACID (2M-H)-Homovanillic acidME2020311738-5.69182.0589
HYODEOXYCHOLIC ACID (M-H)-Hyodeoxycholic acidME2020325283820-22.84392.2957
HYPOXANTHINE (M-H)-HypoxanthineME202033790-1.11136.0367
INOSINE (M-H)-InosineME2020346021-1.86268.0812
ISOLEUCINE (M-H)-IsoleucineME2020356306-1.54131.0941
L-[15N]ANTHRANILIC ACID [ISTD] (M-H)-2-Aminobenzoic acidME202039227-5.34138.0447
L-ARGININE (M-H)-ArginineME2020366322-0.66174.1116
LAURIC ACID (M-H)-Lauric acidME2020403893-21.79200.1775
L-HISTIDINE (M-H)-HistidineME2020376274-0.66155.0692
LINOLEIC ACID (M-H)-Linoleic acidME2020415280450-22.77280.2403
L-TRYPTOPHAN-15N2 [ISTD] (M-H)-TryptophanME20203816217285-3.65206.0842
MALEIC ACID (M-H)-Maleic acidME202042444266-1.12116.0108
MALIC ACID (M-H)-Malic acidME202044222656-0.81134.0219
MALIC ACID (M-H)+[-H2O]Malic acidME202043222656-0.78134.0225
MANNITOL (M-H)-MannitolME2020456251-0.73182.0771
METHIONINE (M-H)-MethionineME2020466137-0.85149.049
MYRISTIC ACID (M-H)-Myristic acidME20204711005-22.5228.2088
MYRISTOLEIC ACID (M-H)-Myristoleic acidME2020485281119-22.09226.1933
N-ACETYL-D-GLUCOSAMINE (M+CL)-N-Acetyl-D-glucosamineME202050446101-0.72221.0909
N-ACETYL-DL-METHIONINE (M-H)-N-AcetylmethionineME202051448580-4.01191.0612
N-ACETYL-DL-SERINE (M-H)-N-AcetylserineME20205265249-0.84147.0527
N-ACETYL--GLUTAMIC ACID (M-H)-N-Acetylglutamic acidME202049185-1.31189.0629
N-ACETYL-L-ALANINE (M-H)-N-AcetylalanineME20205388064-1.51131.0581
N-ACETYL-L-LEUCINE (M-H)-N-AcetylleucineME20205475619-7.08173.1045
N-ACETYL-L-PHENYLALANINE (M-H)-N-AcetylphenylalanineME20205574839-7.63207.0887
N-ACETYLNEURAMINIC ACID (M-H)-N-Acetylneuraminic acidME202056444885-0.72309.1062
NAD (M-H)-NAD+ME2020585893-1.08663.1085
N-ALPHA-ACETYL-L-ASPARAGINE (M-H)-N-AcetylasparagineME20205799715-0.76174.0622
NERVONIC ACID (M-H)-Nervonic acidME2020595281120-24.17366.3498
NONANOIC ACID (M-H)-Pelargonic acidME2020608158-18.33158.1304
OLEIC ACID (M-H)-Oleic acidME202062445639-22.98282.2565
OMEGA-HYDROXYDODECANOIC ACID (M-H)-12-Hydroxy lauric acidME20206379034-17.02216.1723
OROTIC ACID (M-H)-Orotic acidME202064967-0.76156.0165
O-SUCCINYL-L-HOMOSERINE (M-H)-o-SuccinylhomoserineME202061439406-1.04219.0738
OXALOACETIC ACID (M-H)-[-H2O]Oxaloacetic acidME202065970-0.62132.0035
PALMITIC ACID (M-H)-Palmitic acidME202066985-22.9256.2406
PALMITOLEIC ACID (M-H)-Palmitoleic acidME202067445638-22.63254.2248
PANTOTHENIC ACID (M+CL)-Pantothenic acidME2020686613-3.22219.1096
PANTOTHENIC ACID (M-H)-Pantothenic acidME2020696613-3.22219.1109
PHENYLALANINE (M-H)-PhenylalanineME2020706140-2.51165.079
PHYTANIC ACID (M-H)-Phytanic acidME20207110380830-23.29312.2997
PIMELIC ACID (M-H)-Pimelic acidME202072385-5.65160.0731
PROPENOIC ACID (M-H)-Propenoic acidME2020736581-1.2872.0208
RETINOIC ACID (M-H)-Retinoic acidME202074444795-22.31300.2102
RIBOFLAVIN (M+CL)-RiboflavinME202075493570-7.65376.1405
RIBOFLAVIN (M-H)-RiboflavinME202076493570-7.66376.1394
RIBOSE (M+CL)-RiboseME2020775779-0.72150.0535
S-ADENOSYL-L-HOMOCYSTEINE (M-H)-S-AdenosylhomocysteineME202078439155-1.58384.121
SALICYLATE #2 (M-H)-Salicylic acidME202079338-8.15138.0329
SEBACIC ACID (M-H)-Sebacic acidME2020805192-12.93202.1203
SERINE (M-H)-SerineME202081617-0.66105.0422
SN-GLYCERO-3-PHOSPHOCHOLINE (M+CL)-sn-Glycero-3-phosphocholineME202082439285-0.72257.1033
STEARIC ACID (M-H)-Stearic acidME2020835281-23.22284.272
SUBERIC ACID (M-H)-Suberic acidME20208410457-8.19174.0886
SUCCINIC ACID (M-H)-Succinic acidME2020851110-1.31118.0267
SUCROSE (M+CL)-SucroseME2020865988-0.73342.123
THYMIDINE 5'-MONOPHOSPHATE (M-H)-TMPME20208912803287-1.55322.0573
THYMIDINE (M+CL)-ThymidineME2020875789-2.77242.0905
THYMIDINE (M-H)-ThymidineME2020885789-2.77242.09
THYMINE (M-H)-ThymineME2020901135-1.73126.0424
TRANS-ACONITIC ACID (M-H)-trans-Aconitic acidME202091444212-1.19174.0162
TRICARBALLYLIC ACID (M-H)-1,2,3-Propanetricarboxylic acidME20209214925-1.34176.0313
TRIDECANOIC ACID (M-H)-Tridecylic acidME20209312530-22.2214.1925
TRYPTOPHAN (2M-H)-TryptophanME2020946305-3.64204.0873
TRYPTOPHAN (M-H)-TryptophanME2020956305-3.65204.0894
TYROSINE (M-H)-TyrosineME2020966057-1.38181.0735
UDP-N-ACETYL-D-GALACTOSAMINE (M-H)-UDP-N-acetylgalactosamineME20209723724461-0.85607.0822
URIDINE-5-MONOPHOSPHATE (M-H)-UMPME2021006030-0.86324.0334
URIDINE (M+CL)-UridineME2020986029-1.31244.0709
URIDINE (M-H)-UridineME2020996029-1.39244.0696
VALINE (M-H)-ValineME2021016287-0.83117.0784
XANTHINE (M-H)-XanthineME2021021188-1.17152.0331
ZEATIN [ISTD] (M+CL)-trans-ZeatinME202103449093-3.95219.1118
ZEATIN [ISTD] (M-H)-trans-ZeatinME202104449093-3.95219.112


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+NA)+10-Hydroxydecanoic acidME2021076991989-13.62188.1408
16:0-18:0 PC (M+H)+PC 16:0_18:0ME20211018631368-25.41761.5844
16:0-18:0 PC (M+NA)+PC 16:0_18:0ME20211118631368-25.47761.5891
16:0 LYSO PC (M+H)+LPC 16:0ME202108460602-22.32495.3339
16:0 LYSO PC (M+NA)+LPC 16:0ME202109460602-22.31495.3364
18:0 LYSO-PE (2M+H)+LPE 18:0ME2021129547068-22.72481.3156
18:0 LYSO-PE (2M+NA)+LPE 18:0ME2021139547068-22.56481.3125
18:0 LYSO-PE (M+H)+LPE 18:0ME2021149547068-22.63481.3198
18:0 LYSO-PE (M+NA)+LPE 18:0ME2021159547068-22.72481.3195
1-METHYLXANTHINE (M+H)+1-MethylxanthineME20210580220-2.46166.0492
1-METHYLXANTHINE (M+NA)+1-MethylxanthineME20210680220-2.47166.0503
20:0 LYSO PC (M+H)+LPC 20:0ME20211724779473-22.91551.3982
25-HYDROXYCHOLESTEROL (M+H)+[-H2O]25-HydroxycholesterolME20211865094-22.85402.3524
2'-DEOXYINOSINE (M+NA)+DeoxyinosineME20211665058-2.09252.0877
3-METHOXYTYROSINE (M+H)+3-MethoxytyrosineME2021199307-1.91211.0829
4-ACETAMIDOBUTANOIC ACID (M+NA)+4-Acetamidobutanoic acidME20212018189-1.77145.0738
4-HYDROXY-3-METHOXYPHENYLGLYCOL (M+H)+[-H2O]VanylglycolME202121688030-2.41184.0719
5-AMINOPENTANOIC ACID (M+H)+5-Aminopentanoic acidME202124138-0.79117.0779
5'-METHYLTHIOADENOSINE (M+H)+5'-MethylthioadenosineME202122439176-4.47297.0903
5'-METHYLTHIOADENOSINE (M+NA)+5'-MethylthioadenosineME202123439176-4.47297.0905
5-OXOPROLINE (M+H)+Pyroglutamic acidME2021257405-1.18129.0426
5-OXOPROLINE (M+NA)+Pyroglutamic acidME2021267405-1.18129.0438
ACETYLCARNITINE (M+H)+CAR 2:0ME20212718230-0.99203.1148
ADENINE (M+H)+AdenineME202128190-0.74135.0531
ADENOSINE 5'-MONOPHOSPHATE (2M+H)+AMPME2021316083-0.99347.0598
ADENOSINE 5'-MONOPHOSPHATE #2 (M+H)+AMPME2021306083-1.31347.0634
ADENOSINE 5'-MONOPHOSPHATE (M+H)+AMPME2021326083-0.99347.0631
ADENOSINE (M+H)+AdenosineME20212960961-1.79267.0975
ALPHA-TOCOPHEROL (M+H)+alpha-TocopherolME20213314985-24.44430.378
ASPARTIC ACID (M+H)+Aspartic acidME2021345960-0.68133.0361
ASPARTIC ACID (M+NA)+Aspartic acidME2021355960-0.66133.0361
AZELAIC ACID (M+H)+Azelaic acidME2021362266-10.59188.1029
AZELAIC ACID (M+H)+[-H2O]Azelaic acidME2021372266-10.59188.1052
AZELAIC ACID (M+NA)+Azelaic acidME2021382266-10.59188.1061
BIOTIN (M+H)+BiotinME20213911966127-6.17244.0885
BIOTIN (M+H)+[-H2O]BiotinME20214011966127-6.17244.0859
BIOTIN (M+NA)+BiotinME20214111966127-6.16244.0919
BIS(2-ETHYLHEXYL)PHTHALIC ACID (M+H)+bis(2-Ethylhexyl)phthalic acidME2021428343-23.11390.2789
BIS(2-ETHYLHEXYL)PHTHALIC ACID (M+NA)+bis(2-Ethylhexyl)phthalic acidME2021438343-23.11390.2777
BIS-GAMMA-GLUTAMYLCYSTINE (M+H)+Bis-gamma-glutamylcystineME20214490657696-1.01498.1118
CALCIDIOL (M+H)+[-H2O]25-Hydroxyvitamin D3ME2021455283731-22.59400.3355
CARNITINE (M+H)+CarnitineME20214610917-0.7161.1031
CHOLESTEROL (M+H)+[-H2O]CholesterolME2021475997-24.48386.3554
CHOLINE M+CholineME202148305-0.67104.1065
CHOLINE PHOSPHATE (M+H)+Choline phosphateME2021491014-0.69183.0654
CHOLINE PHOSPHATE (M+NA)+Choline phosphateME2021501014-0.67183.0632
CITRIC ACID (M+NA)+Citric acidME202151311-1.05192.0251
CORTICOSTERONE (M+H)+CorticosteroneME2021525753-15.28346.2126
CORTICOSTERONE (M+NA)+CorticosteroneME2021535753-15.29346.2141
CORTISOL 21-ACETIC ACID (M+H)+Cortisol 21-acetateME2021545744-15.74404.2236
CREATINE (M+H)+CreatineME202155586-0.71131.0673
CYTIDINE (2M+H)+CytidineME2021566175-0.87243.0862
CYTIDINE 5'-DIPHOSPHOCHOLINE (M+H)+CDP-cholineME20215813804-0.72488.1084
CYTIDINE 5'-DIPHOSPHOCHOLINE (M+K)+CDP-cholineME20215913804-0.72488.1074
CYTIDINE 5'-DIPHOSPHOCHOLINE (M+NA)+CDP-cholineME20216013804-0.72488.1082
CYTIDINE (M+H)+CytidineME2021576175-0.79243.084
CYTOSINE (M+H)+CytosineME202161597-0.73111.0424
CYTOSINE (M+NA)+CytosineME202162597-0.75111.0418
DEBRISOQUIN (M+H)+DebrisoquineME2021632966-5.06175.1116
DECANOIC ACID (2M+H)+Capric acidME2021642969-22.8172.1458
DECANOIC ACID (2M+NA)+Capric acidME2021652969-22.8172.148
DEOXYCHOLIC ACID (M+NA)+Deoxycholic acidME202166222528-21.66392.2904
DEOXYCYTIDINE (M+H)+DeoxycytidineME20216713711-1.01227.0887
DEOXYURIDINE (M+NA)+DeoxyuridineME20216813712-1.68228.0753
DESMOSTEROL (M+H)+[-H2O]DesmosterolME202169439577-24.11384.3401
DGDP (M+H)+dGDPME202170439220-1.18427.0313
DIETHANOLAMINE (M+H)+DiethanolamineME2021718113-0.66105.0777
DIPALMITOYL PHOSPHATIDYLETHANOLAMINE (M+H)+PE 16:0/16:0ME202172445468-24.59691.5189
DOXYLAMINE (M+H)+DoxylamineME2021733162-5.84270.1754
ERYTHRITOL (M+NA)+ErythritolME202174222285-0.7122.0581
ETHANOLAMINE (M+NA)+EthanolamineME202175700-0.6861.0533
ETHANOLAMINE PHOSPHATE (M+H)+PhosphoethanolamineME2021761015-0.87141.0176
ETHANOLAMINE PHOSPHATE (M+NA)+PhosphoethanolamineME2021771015-0.84141.0203
FERULATE #2 (M+H)+trans-Ferulic acidME202178445858-8.16194.0562
FOLIC ACID (M+H)+Folic acidME2021796037-5.93441.1441
GAMMA-LINOLENIC ACID (M+NA)+gamma-Linolenic acidME2021805280933-22.86278.2227
GLUCOSE (2M+NA)+GlucoseME2021815793-0.69180.0607
GLUCOSE (M+NA)+GlucoseME2021825793-0.68180.0615
GLUTAMIC ACID (M+H)+[-H2O]Glutamic acidME20218333032-0.67147.0522
GLUTATHIONE OXIDIZED (M+H)+GlutathioneME20218465359-1.35612.1526
GLUTATHIONE OXIDIZED (M+H2)+2GlutathioneME20218565359-1.34612.1531
GLYCEROL MYRISTATE (M+H)+MG 14:0ME20218679050-22.11302.2411
GLYCEROL MYRISTATE (M+H)+[-H2O]MG 14:0ME20218779050-22.15302.2448
GLYCEROL MYRISTATE (M+NA)+MG 14:0ME20218879050-22.14302.2458
GUANINE (M+H)+GuanineME202189764-0.82151.0494
GUANOSINE 5'-PHOSPHATE (M+H)+GMPME2021916804-1.02363.0583
GUANOSINE (M+H)+GuanosineME2021906802-1.84283.0902
HEXANOYLCARNITINE (*) M+CAR 6:0ME2021923246939-7.05260.1865
HYPOXANTHINE (M+H)+HypoxanthineME202193790-1.13136.0389
HYPOXANTHINE (M+NA)+HypoxanthineME202194790-1.15136.0366
INOSINE 5'-PHOSPHATE (M+NA)+IMPME2021968582-0.98348.0492
INOSINE (M+H)+InosineME2021956021-1.77268.0846
ISO-BUTYRYLCARNITINE (*) (M+H)+CAR 3:0;2MeME202197168379-2.92231.1474
ISOLEUCINE (M+H)+IsoleucineME2021986306-1.51131.0944
ISOLEUCINE (M+NA)+IsoleucineME2021996306-1.6131.0932
ISOVALERYLCARNITINE (*) (M+H)+CAR 4:0;3MeME202200169235-4.7245.1628
KYNURENINE (M+H)+KynurenineME202201161166-2.18208.084
LANOSTEROL (M+NA)+LanosterolME202207246983-23.77426.3852
L-ARGININE (M+H)+ArginineME2022026322-0.65174.1099
L-ARGININE (M+NA)+ArginineME2022036322-0.64174.1108
L-HISTIDINE (M+H)+HistidineME2022046274-0.65155.0682
L-HISTIDINE (M+NA)+HistidineME2022056274-0.65155.0684
L-TRYPTOPHAN-15N2 [ISTD] (M+H)+TryptophanME20220616217285-3.58206.0844
LUMICHROME (M+NA)+LumichromeME2022085326566-10.86242.0816
LYSINE (M+H)+LysineME2022095962-0.57146.1057
LYSINE (M+NA)+LysineME2022105962-0.59146.105
MALIC ACID (M+NA)+Malic acidME202211222656-0.86134.021
METHIONINE (M+H)+MethionineME2022126137-1.02149.0508
METHYL BETA-D-GALACTOSIDE (M+NA)+Methyl beta-D-galactosideME20221394214-0.81194.0781
N-ACETYL-ASPARTIC ACID (M+NA)+N-Acetylaspartic acidME20221465065-1.01175.0495
N-ACETYL-D-GLUCOSAMINE (M+H)+N-Acetyl-D-glucosamineME202215446101-0.73221.0866
N-ACETYL-DL-METHIONINE (M+H)+N-AcetylmethionineME202216448580-3.94191.0581
N-ACETYL-DL-METHIONINE (M+NA)+N-AcetylmethionineME202217448580-3.95191.0609
N-ACETYL-DL-SERINE (M+H)+[-H2O]N-AcetylserineME20221865249-0.92147.0531
N-ACETYL-GLUTAMIC ACID (M+H)+N-Acetylglutamic acidME202219185-1.29189.0628
N-ACETYL-GLUTAMIC ACID (M+NA)+N-Acetylglutamic acidME202220185-1.26189.0617
N-ACETYL-L-LEUCINE (M+NA)+N-AcetylleucineME20222175619-7.01173.1057
N-ACETYL-L-PHENYLALANINE (M+H)+N-AcetylphenylalanineME20222274839-7.53207.0893
N-ACETYL-L-PHENYLALANINE (M+NA)+N-AcetylphenylalanineME20222374839-7.52207.0903
N-ACETYLNEURAMINIC ACID (M+H)+N-Acetylneuraminic acidME202224444885-0.71309.1056
N-ACETYLNEURAMINIC ACID (M+NA)+N-Acetylneuraminic acidME202225444885-0.71309.1047
N-ACETYLPUTRESCINE (M+H)+N-AcetylputrescineME202226122356-0.7130.1091
NAD (M+2H)+2NAD+ME2022305893-1.05663.1096
NAD (M+H)+NAD+ME2022315893-1.05663.1076
NAD (M+NA)+NAD+ME2022325893-1.05663.0996
N-CYCLOHEXYLFORMAMIDE (M+H)+N-CyclohexylformamideME20222713017-7.75127.0998
N-CYCLOHEXYLFORMAMIDE (M+NA)+N-CyclohexylformamideME20222813017-7.75127.0996
NICOTINAMIDE HYPOXANTHINE DINUCLEOTIDE (M+H)+Nicotinamide purin-6-ol-dinucleotideME202234440334-1.06664.1055
NICOTINAMIDE (M+H)+NiacinamideME202233936-1.12122.0478
N-METHYL-ASPARTIC ACID (M+NA)+N-Methyl-D-aspartic acidME2022294376-0.67147.0503
NONANOIC ACID (M+NA)+Pelargonic acidME2022358158-13.04158.1316
NORADRENALINE (M+H)+Xi-NorepinephrineME202236951-0.75169.0724
OCTACOSANOIC ACID (M+H)+Montanic acidME20223910470-23.44424.4295
OCTANOYLCARNITINE (*) (M+H)+CAR 8:0ME202240123701-11.77287.2101
OLEAMIDE (M+H)+OleamideME2022415283387-22.63281.2716
OLEAMIDE (M+NA)+OleamideME2022425283387-22.63281.2717
OLEIC ACID (M+H)+Oleic acidME202243445639-22.54282.2568
OLEOYL-GLYCEROL (M+H)+MG 18:1ME2022445319879-22.72356.2923
OLEOYL-GLYCEROL (M+NA)+MG 18:1ME2022455319879-22.72356.2946
O-PHOSPHO-DL-SERINE (M+H)+DL-O-PhosphoserineME202237106-0.71185.0074
O-PHOSPHO-DL-SERINE (M+NA)+DL-O-PhosphoserineME202238106-0.67185.0055
PANTOTHENIC ACID (M+H)+Pantothenic acidME2022466613-3.17219.1111
PANTOTHENIC ACID (M+NA)+Pantothenic acidME2022476613-3.17219.1115
PHENYLALANINE (M+H)+PhenylalanineME2022486140-2.57165.0782
PIPECOLIC ACID (M+NA)+Pipecolic acidME202249849-0.78129.0771
PROLINE (M+H)+ProlineME202250145742-0.73115.0622
PROLINE (M+NA)+ProlineME202251145742-0.72115.0618
PROTOPORPHYRIN (M+H)+ProtoporphyrinME2022524971-22.95562.262
PUTRESCINE (M+H)+PutrescineME2022531045-0.5688.1004
PUTRESCINE (M+NA)+PutrescineME2022541045-0.5888.0993
PYRIDOXAL (M+H)+PyridoxalME2022551050-1167.0556
PYRIDOXINE (M+H)+PyridoxineME2022561054-1.15169.0735
RIBITOL (M+NA)+RibitolME20225794154-0.67152.0662
RIBOFLAVIN (M+H)+RiboflavinME202258493570-7.58376.1389
RIBOFLAVIN (M+NA)+RiboflavinME202259493570-7.58376.14
S-ADENOSYL-L-HOMOCYSTEINE (M+H)+S-AdenosylhomocysteineME202260439155-1.55384.123
SEBACIC ACID (M+H)+[-H2O]Sebacic acidME2022615192-12.83202.1174
SEBACIC ACID (M+NA)+Sebacic acidME2022625192-12.83202.1215
SELENOMETHIONINE (M+H)+SelenomethionineME202263105024-1.27196.9991
SERINE (M+H)+SerineME202264617-0.89105.0417
SN-GLYCERO-3-PHOSPHOCHOLINE (M+H)+sn-Glycero-3-phosphocholineME202265439285-0.69257.1013
SPERMIDINE (M+H)+SpermidineME2022661102-0.58145.1576
SPHINGOSINE (M+H)+SphingosineME2022675280335-20.25299.2811
SUBERIC ACID (M+H)+[-H2O]Suberic acidME20226810457-8.1174.0883
SUBERIC ACID (M+NA)+Suberic acidME20226910457-8.1174.0906
TAUROLITHOCHOLIC ACID (M+NA)+Taurolithocholic acidME202270439763-21.71483.2933
THIAMIN M+ThiamineME2022711130-0.7265.1103
THIAMIN M+[-C6H9NOS]ThiamineME2022721130-0.7265.1087
THREONINE (M+H)+[-H2O]ThreonineME2022736288-0.7119.0575
THROMBOXANE B2 (M+NA)+TXB2ME2022745283137-16.86370.2283
THYMIDINE (M+NA)+ThymidineME2022755789-2.7242.0901
TRIMETHYLAMINE (M+H)+TrimethylamineME2022761146-0.6859.0727
TRYPTOPHAN (M+H)+TryptophanME2022776305-3.58204.09
TRYPTOPHAN (M+NA)+TryptophanME2022786305-3.58204.0898
TYROSINE (M+H)+TyrosineME2022796057-1.34181.0737
UDP-N-ACETYL-D-GALACTOSAMINE (M+NA)+UDP-N-acetylgalactosamineME20228023724461-0.81607.0832
URACIL (M+H)+UracilME2022811174-0.99112.0265
URIDINE-5-MONOPHOSPHATE (2M+H)+UMPME2022846030-0.83324.0336
URIDINE-5-MONOPHOSPHATE (M+H)+UMPME2022856030-0.89324.0378
URIDINE (M+H)+UridineME2022826029-1.35244.0711
URIDINE (M+NA)+UridineME2022836029-1.3244.0689
VALINE (M+H)+ValineME2022866287-0.91117.0789
VALINE (M+NA)+ValineME2022876287-0.91117.0777
XANTHINE (M+H)+XanthineME2022881188-1.18152.031
XANTHOSINE (M+NA)+XanthosineME20228964959-2.34284.0734


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