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Return to study ST002352 main page
Analysis: Normal phase POSITIVE ION MODE
Select
Metabolite Name
RefMet Name/Standardized Name*
WorkBenchMetabolite_ID
PubChemCompound_ID
Kegg Id
Retentiontime/index
m/z ratio
526.4679@1.14, provisional ID = DG(29:0)
-
ME594837
-
-
0.75
-
Bilirubin
Bilirubin
ME594827
5280352
-
1
-
CAR 18:0
CAR 18:0
ME594882
-
-
10.05
-
CAR 18:1
CAR 18:1
ME594864
-
-
10.09
-
Hypotaurine
Hypotaurine
ME594847
107812
-
10.09
-
ST 21:4;O5
ST 21:4;O5
ME594833
-
-
1.01
-
LPC 18:0
LPC 18:0
ME594855
-
-
10.11
-
CAR 18:2
CAR 18:2
ME594851
-
-
10.14
-
CAR 18:3
CAR 18:3
ME594850
-
-
10.15
-
CAR 16:0
CAR 16:0
ME594867
-
-
10.19
-
LPC 18:1
LPC 18:1
ME594856
-
-
10.2
-
CAR 16:1
CAR 16:1
ME594842
-
-
10.23
-
LPC 16:0
LPC 16:0
ME594853
-
-
10.31
-
CAR 14:1
CAR 14:1
ME594885
-
-
10.34
-
LPC 16:1
LPC 16:1
ME594854
-
-
10.41
-
367.2674@7.75, provisional ID = CAR 14:2
-
ME594813
-
-
10.42
-
441.355@7.97, provisional ID = CAR 18:1-0H
-
ME594811
-
-
10.48
-
538.3788@7.87, provisional ID = PC O-20:0
-
ME594829
-
-
10.58
-
CAR 12:0
CAR 12:0
ME594838
-
-
11.02
-
CAR 16:1;O
CAR 16:1;OH
ME594810
-
-
11.13
-
Betaine
Betaine
ME594826
247
-
11.29
-
Tyramine
Tyramine
ME594888
5610
-
11.37
-
CAR 16:0;O
CAR 16:0;OH
ME594812
-
-
11.43
-
Histidine
Histidine
ME594845
6274
-
11.65
-
CAR 6:0
CAR 6:0
ME594843
-
-
11.67
-
4-Guanidinobutyric Acid
4-Guanidinobutanoic acid
ME594815
500
-
11.7
-
Proline Betaine
Proline betaine
ME594873
115244
-
11.73
-
3-Methylhistidine
3-Methylhistidine
ME594809
64969
-
12.13
-
Citrulline
Citrulline
ME594832
9750
-
12.13
-
CAR 5:0
CAR 5:0
ME594890
-
-
12.58
-
CAR 4:0
CAR 4:0
ME594828
-
-
12.82
-
CAR 4:1;O2
CAR DC4:0
ME594860
-
-
13.43
-
CAR 3:0
CAR 3:0
ME594874
-
-
13.48
-
5-Aminopentanoic Acid
5-Aminopentanoic acid
ME594817
-
-
13.92
-
CAR 2:0
CAR 2:0
ME594819
-
-
14.2
-
Carnitine
Carnitine
ME594830
10917
-
14.88
-
Glycerophosphocholine
sn-Glycero-3-phosphocholine
ME594880
-
-
15.11
-
325.2973@1.13, provisional ID = NAE 18:1
-
ME594863
-
-
1.52
-
323.2824@1.13, provisional ID = NAE 18:2
-
ME594823
-
-
1.53
-
299.2813@1.17, provisional ID = SPB 18:1;O2
-
ME594866
-
-
1.55
-
Deoxycarnitine
3-Dehydroxycarnitine
ME594836
134
-
18.1
-
Phosphocholine
Choline phosphate
ME594871
1014
-
19.69
-
S-Adenosylmethionine
S-Adenosylmethionine
ME594875
-
-
22.02
-
Nicotinamide
Niacinamide
ME594862
936
-
2.43
-
Xanthine
Xanthine
ME594891
1188
-
2.43
-
5'-Methylthioadenosine
5'-Methylthioadenosine
ME594818
-
-
2.49
-
Ornithine
Ornithine
ME594865
6262
-
26.25
-
Thiamine
Thiamine
ME594886
-
-
26.55
-
1-Methylnicotinamide
1-Methyl nicotinamide
ME594807
457
-
26.57
-
Choline
Choline
ME594831
305
-
26.57
-
Arginine
Arginine
ME594825
6322
-
26.58
-
Lysine
Lysine
ME594852
5962
-
26.58
-
3-Methylhistamine
3-Methylhistamine
ME594808
69520
-
26.59
-
L-Monomethylarginine
-
ME594849
-
-
26.59
-
N1-Acetylspermidine
N1-Acetylspermidine
ME594861
496
-
26.59
-
Trimethyllysine
N-6-Trimethyllysine
ME594887
440121
-
26.6
-
Dimethylarginine
Dimethylarginine
ME594884
123831
-
26.61
-
Histamine
Histamine
ME594844
774
-
26.71
-
Urea
Urea
ME594889
1176
-
2.81
-
Inosine
Inosine
ME594848
6021
-
3.31
-
Adenosine
Adenosine
ME594821
60961
-
3.45
-
135.036@6.09, provisional ID = Homocysteine
-
ME594846
-
-
3.6
-
Guanosine
Guanosine
ME594841
6802
-
3.87
-
Guanine
Guanine
ME594840
764
-
3.91
-
Adenine
Adenine
ME594820
190
-
4.51
-
Cytidine
Cytidine
ME594835
6175
-
5.56
-
LPE 18:2
LPE 18:2
ME594859
-
-
7.09
-
PC 36:4
PC 36:4
ME594870
-
-
8.25
-
PC 36:2
PC 36:2
ME594869
-
-
8.34
-
PC 34:2
PC 34:2
ME594868
-
-
8.44
-
Succinoadenosine
Succinyladenosine
ME594883
20849086
-
8.68
-
Creatinine
Creatinine
ME594834
588
-
8.83
-
Succinylaminoimidazole carboxamide riboside
-
ME594876
-
-
8.83
-
PC O-36:4
PC O-36:4
ME594824
70698779
-
9.03
-
1-Methyladenosine
1-Methyladenosine
ME594806
27476
-
9.19
-
SM 36:2;O2
SM 36:2;O2
ME594879
-
-
9.32
-
SM d34:0
SM 34:0;O2
ME594877
-
-
9.32
-
SM 36:1;O2
SM 36:1;O2
ME594881
-
-
9.33
-
4-Aminobutyric Acid
4-Aminopentanoic acid
ME594814
-
-
9.35
-
SM d34:1
SM 34:1;O2
ME594878
-
-
9.52
-
Alanine
Alanine
ME594822
5950
-
9.66
-
Guanidinosuccinic Acid
Guanidinosuccinic acid
ME594839
97856
-
9.66
-
4-Imidazoleacetic Acid
Imidazoleacetic acid
ME594816
96215
-
9.71
-
Pipecolinic Acid
Pipecolic acid
ME594872
736316
-
9.88
-
LPC 18:2
LPC 18:2
ME594857
-
-
9.99
-
LPC 18:3
LPC 18:3
ME594858
-
-
9.99
-
Analysis: Normal phase NEGATIVE ION MODE
Select
Metabolite Name
RefMet Name/Standardized Name*
WorkBenchMetabolite_ID
PubChemCompound_ID
Kegg Id
Retentiontime/index
m/z ratio
296.1846@1.15, provisional ID = FA 20:8
-
ME594917
-
-
0.85
-
Cholesterol Sulfate
Cholesterol sulfate
ME594936
65076
-
0.85
-
391.2473@1.07, provisional ID = 4-Hydroxyphenylret...
-
ME594912
-
-
0.87
-
Indoxylsulfuric acid
Indoxyl sulfate
ME594967
-
-
0.88
-
2-Aminoadipic Acid
alpha-Aminoadipic acid
ME594897
469
-
10.25
-
UMP
UMP
ME595078
6030
-
10.25
-
Proline
Proline
ME595035
145742
-
10.37
-
314.0604@8.14, provisional ID = N-FormyGAR (FGAR)
-
ME594991
-
-
10.42
-
Ergothioneine
Ergothioneine
ME594949
3032311
-
10.68
-
UDP
UDP
ME595075
6031
-
10.97
-
AMP
AMP
ME594924
6083
-
10.98
-
3-Phosphoglyceric Acid
3-Phosphoglyceric acid
ME594908
-
-
11.07
-
Glucose 6-Phosphate
Glucose 6-phosphate
ME594956
5958
-
11.18
-
164.047@1.24, provisional ID = Phenylpyruvic Acid
-
ME595029
-
-
1.12
-
GSSG
Oxidized glutathione
ME594963
11215652
-
11.2
-
ADP
ADP
ME594920
6022
-
11.38
-
Cysteineglutathione Disulfide
Cysteine-glutathione disulfide
ME594940
53477713
-
11.41
-
Fructose 6-Phosphate
Fructose 6-phosphate
ME594952
69507
-
11.44
-
ATP
ATP
ME594933
44224003
-
11.57
-
168.0416@1.21, provisional ID = Homogentisic Acid
-
ME594964
-
-
1.16
-
Taurodeoxycholic Acid
Taurodeoxycholic acid
ME595068
-
-
1.16
-
Saccharopine
Saccharopine
ME595056
160556
-
11.78
-
426.18@1.22, provisional ID = Win 55,212-2
-
ME595083
-
-
1.22
-
PS 38:3
PS 38:3
ME595044
-
-
1.28
-
Cytidine diphosphate choline
CDP-choline
ME594941
-
-
13.15
-
Sulfite
-
ME595066
1099
-
1.33
-
PS 32:0
PS 32:0
ME595036
-
-
1.37
-
733.5018@2, provisional ID = PS 32:1
-
ME595037
-
-
1.38
-
624.5716@1.11, provisional ID = Cholesteryl Palmit...
-
ME594937
-
-
1.39
-
731.4973@2.12, provisional ID = PS 32:2
-
ME595038
-
-
1.39
-
FA 20:1
Eicosenoic acid
ME594918
-
-
1.4
-
FA 18:0
Stearic acid
ME595061
-
-
1.41
-
FA 20:2
Eicosadienoic acid
ME594948
-
-
1.41
-
FA 20:4
Arachidonic acid
ME594926
-
-
1.41
-
FA 22:5
Docosapentaenoic acid
ME594945
-
-
1.41
-
FA 16:0
Palmitic acid
ME594999
-
-
1.42
-
FA 18:1
Octadecenoic acid
ME594996
-
-
1.42
-
FA 18:2
Octadecadienoic acid
ME594973
-
-
1.42
-
3-Hydroxyanthranilic Acid
3-Hydroxyanthranilic acid
ME594904
86
-
1.43
-
FA 16:1
Hexadecenoic acid
ME595000
-
-
1.43
-
FA 17:1
Heptadecenoic acid
ME594893
-
-
1.43
-
FA 18:3
Octadecatrienoic acid
ME594923
-
-
1.43
-
FA 18:4
Octadecatetraenoic acid
ME595062
-
-
1.43
-
226.1931@1.12, provisional ID = FA 14:1
-
ME594986
-
-
1.44
-
240.2092@1.09, provisional ID = FA 15:1
-
ME594894
-
-
1.44
-
FA 14:0
Myristic acid
ME594985
-
-
1.44
-
298.2511@1.14, provisional ID = FA 18:1;O
-
ME595053
-
-
1.45
-
757.4841@4.03, provisional ID = PE 38:9
-
ME595023
-
-
1.45
-
244.2037@1.18, provisional ID = FA 14:0;O
-
ME594900
-
-
1.47
-
348.2052@1.18, provisional ID = FA 24:10
-
ME594929
-
-
1.47
-
334.226@1.15, provisional ID = 14,15-Dehydro-Leuko...
-
ME594896
-
-
1.48
-
404.2182@1.05, provisional ID = ST 23:4;O6
-
ME594965
-
-
1.48
-
Taurolithocholic Acid
Taurolithocholic acid
ME595069
439763
-
1.48
-
312.2293@1.17, provisional ID = FA 18:2;O2
-
ME594895
-
-
1.5
-
116.0839@1.28, provisional ID = FA 6:0
-
ME594935
-
-
1.53
-
184.0734@1.29, provisional ID = 4-Hydroxy-3-Methox...
-
ME594911
-
-
1.53
-
391.3009@1.13, provisional ID = NA 24:4;O2
-
ME595001
-
-
1.53
-
Thymidine
Thymidine
ME595072
-
-
1.55
-
O-Phosphoethanolamine
Phosphoethanolamine
ME594995
-
-
15.55
-
361.2565@1.18, provisional ID = NA 22:5;O2 or NAE ...
-
ME594927
-
-
1.56
-
757.5637@4.42, provisional ID = PE 37:2
-
ME595025
-
-
1.57
-
PE 42:6
PE 42:6
ME595024
-
-
1.59
-
346.2143@1.29, provisional ID = ST 21:3;O4
-
ME594939
-
-
1.6
-
PS 42:10
PS 42:10
ME595049
-
-
1.65
-
5-Hydroxyisouric Acid
5-Hydroxyisouric acid
ME594914
-
-
1.66
-
PS 40:8
PS 40:8
ME595048
-
-
1.66
-
4-Pyridoxic Acid
4-Pyridoxic acid
ME594913
6723
-
1.68
-
759.5059@2.36, provisional ID = PS 34:2
-
ME595041
-
-
1.68
-
Dehydroascorbic Acid
L-Dehydroascorbic acid
ME594943
835
-
1.68
-
PS 34:1
PS 34:1
ME595040
-
-
1.68
-
PE 38:7
PE 38:7
ME595020
-
-
1.7
-
PE O-38:7
PE O-38:7
ME595019
-
-
1.72
-
122.0369@1.22, provisional ID = 3-Hydroxybenzaldeh...
-
ME594905
-
-
1.88
-
Pyruvic acid
Pyruvic acid
ME595052
-
-
1.94
-
Uridine
Uridine
ME595080
6029
-
2.19
-
Pyrrole-2-Carboxylic Acid
Pyrrole-2-carboxylic acid
ME595051
12473
-
2.21
-
Allantoin
Allantoin
ME594922
204
-
2.24
-
2-Hydroxybutyric Acid
2-Hydroxybutyric acid
ME594899
-
-
2.28
-
Nicotinic Acid
Nicotinic acid
ME594994
-
-
2.29
-
3-Hydroxybutanoic Acid
3-Hydroxybutyric acid
ME594906
441
-
2.39
-
PI 34:2
PI 34:2
ME595034
-
-
2.53
-
PI 32:1
PI 32:1
ME595031
-
-
2.59
-
PI 34:0
PI 34:0
ME595032
-
-
2.59
-
PI 34:1
PI 34:1
ME595033
-
-
2.59
-
PI 32:0
PI 32:0
ME595030
-
-
2.61
-
582.2521@3.34, provisional ID = Biliverdin
-
ME594934
-
-
2.62
-
FA 20:0
Arachidic acid
ME594925
-
-
2.66
-
553.3163@6.27, provisional ID = LPE 24:6
-
ME594978
-
-
2.7
-
Ascorbic Acid
Vitamin C
ME594930
54670067
-
2.72
-
Acetylcysteine
N-Acetylcysteine
ME594987
-
-
2.73
-
Acetoacetic Acid
Acetoacetic acid
ME594919
6971017
-
2.74
-
Lactic Acid
Lactic acid
ME594969
612
-
2.75
-
72.0211@2.17, provisional ID = Methylglyoxal
-
ME594983
-
-
2.83
-
Dihydrobiopterin
4a-Carbinolamine tetrahydrobiopterin
ME594944
-
-
2.88
-
Uric Acid
Uric acid
ME595079
1175
-
3.15
-
Pterin
Pterin
ME595050
73000
-
3.25
-
851.555@3.96, provisional ID = PS 41:5
-
ME595027
-
-
3.26
-
Hypoxanthine
Hypoxanthine
ME594966
790
-
3.27
-
Urocanic Acid
Urocanic acid
ME595081
736715
-
3.31
-
PS 38:6
PS 38:6
ME595042
-
-
3.34
-
76.016@3.26, provisional ID = Glycolic Acid
-
ME594961
-
-
3.67
-
Glucose
Glucose
ME594955
5793
-
3.8
-
128.0584@7.62, provisional ID = 5,6-Dihydrothymine
-
ME594916
-
-
3.82
-
PS 38:5
PS 38:5
ME595047
-
-
3.85
-
Lactose
Lactose
ME594971
294
-
4.07
-
Sucrose
Sucrose
ME595065
5988
-
4.07
-
119.9889@3.19, provisional ID = Mercaptopyruvic Ac...
-
ME594981
-
-
4.08
-
Erythrose
Erythrose
ME594950
94176
-
4.08
-
197.0603@4.55, provisional ID = Dopa
-
ME594946
-
-
4.4
-
835.5359@4.22, provisional ID = PE 44:12
-
ME595026
-
-
4.58
-
PS 40:6
PS 40:6
ME595046
-
-
4.58
-
PS 38:4
PS 38:4
ME595045
-
-
4.66
-
PE 40:7
PE 40:7
ME595022
-
-
4.78
-
Galacturonic Acid
Galacturonic acid
ME594953
445929
-
4.8
-
PE 40:6
PE 40:6
ME595021
-
-
4.81
-
PE 38:4
PE 38:4
ME595017
-
-
4.92
-
PE 38:5
PE 38:5
ME595018
-
-
4.94
-
789.5278@3.72, provisional ID = PE O-40:8;O
-
ME595043
-
-
4.98
-
PE 36:4
PE 36:4
ME595011
-
-
5.04
-
PE 36:5
PE 36:5
ME595012
-
-
5.05
-
741.5249@3.97, provisional ID = PE 36:3
-
ME595013
-
-
5.17
-
PE 36:2
PE 36:2
ME595010
-
-
5.21
-
PE 36:1
PE 36:1
ME595009
-
-
5.22
-
PS 34:0
PS 34:0
ME595039
-
-
5.23
-
PE 34:2
PE 34:2
ME595008
-
-
5.3
-
PE 34:1
PE 34:1
ME595007
-
-
5.31
-
153.0098@7.06, provisional ID = 3-Sulfinoalanine
-
ME594910
-
-
5.34
-
Taurine
Taurine
ME595067
1123
-
6.01
-
Pantothenic Acid
Pantothenic acid
ME595002
988
-
6.17
-
Myo-Inositol
Myo-inositol
ME594984
892
-
6.33
-
5-Oxoproline
Pyroglutamic acid
ME594915
-
-
6.43
-
PE 35:1
PE 35:1
ME595015
-
-
6.55
-
PE 35:2
PE 35:2
ME595016
-
-
6.55
-
PE 34:0
PE 34:0
ME595006
-
-
6.56
-
PE 32:2
PE 32:2
ME595005
-
-
6.58
-
PE 32:0
PE 32:0
ME595003
-
-
6.59
-
PE 32:1
PE 32:1
ME595004
-
-
6.59
-
PE 33:1
PE 33:1
ME595014
-
-
6.59
-
Thiosulfuric Acid
-
ME595070
-
-
6.6
-
525.2863@5.31, provisional ID = LPE 22:6
-
ME594977
-
-
6.89
-
308.0302@8.03, provisional ID = dUMP
-
ME594947
-
-
7.11
-
197.0033@7.65, provisional ID = Selenomethionine
-
ME595057
-
-
7.18
-
LPE 18:0
LPE 18:0
ME594979
-
-
7.2
-
LPE 18:1
LPE 18:1
ME594976
-
-
7.24
-
Tryptophan
Tryptophan
ME595073
6305
-
7.27
-
LPE 16:0
LPE 16:0
ME594974
-
-
7.34
-
LPE 16:1
LPE 16:1
ME594975
-
-
7.39
-
Phenylalanine
Phenylalanine
ME595028
6140
-
7.53
-
N-Acetylneuraminic Acid
N-Acetylneuraminic acid
ME594990
439197
-
7.68
-
Oxoglutaric Acid
2-Oxoglutaric acid
ME594998
51
-
7.69
-
Sorbitol
Sorbitol
ME595059
5780
-
7.69
-
Tyrosine
Tyrosine
ME595074
6057
-
7.69
-
UDP-N-Acetylglucosamine
UDP-N-acetylglucosamine
ME595077
445675
-
7.79
-
UDP-Glucose
UDP-glucose
ME595076
53477679
-
7.83
-
358.1116@6.22, provisional ID = Lactobionic Acid
-
ME594970
-
-
7.92
-
Leucine
Leucine
ME594972
6106
-
7.99
-
Methionine
Methionine
ME594982
6137
-
7.99
-
N-Acetylaspartic Acid
N-Acetylaspartic acid
ME594989
65065
-
8.08
-
Isoleucine
Isoleucine
ME594968
791
-
8.23
-
504.185@7.23, provisional ID = Raffinose
-
ME594942
-
-
8.25
-
Glycerophosphoinositol
sn-Glycero-3-phosphoinositol
ME594909
-
-
8.27
-
Malic Acid
Malic acid
ME594980
525
-
8.27
-
Nicotinamide Mononucleotide
Nicotinamide ribotide
ME594993
14180
-
8.27
-
Succinic Acid
Succinic acid
ME595063
1110
-
8.35
-
3-Hydroxymethylglutaric Acid
3-Hydroxymethylglutaric acid
ME594907
10329583
-
8.42
-
ADP-Ribose
ADP-ribose
ME594921
-
-
8.5
-
Flavin Adenine Dinucleotide
FAD
ME594951
-
-
8.54
-
NADH
NADH
ME594992
21604869
-
8.57
-
188.105@6.27, provisional ID = FA 9:1;O2
-
ME594892
-
-
8.62
-
S-Adenosylhomocysteine
S-Adenosylhomocysteine
ME595054
-
-
8.66
-
167.0274@4.08, provisional ID = Quinolinic Acid
-
ME594902
-
-
8.7
-
Valine
Valine
ME595082
1182
-
8.75
-
Stachyose Hydrate
Stachyose
ME595060
439531
-
8.76
-
100.0159@6.61, provisional ID = Succinic Anhydride
-
ME595064
-
-
8.8
-
Acetylglutamic Acid
N-Acetyl-mannosamine
ME594988
-
-
8.85
-
Glycerophosphoserine
sn-Glycero-3-phosphoserine
ME594959
-
-
8.91
-
Threonine
Threonine
ME595071
6288
-
9.13
-
2-Aminoisobutyric Acid
Aminoisobutyric acid
ME594898
6119
-
9.15
-
3-Aminoisobutyric Acid
3-Aminoisobutanoic acid
ME594903
64956
-
9.18
-
Glucosamine
Glucosamine
ME594954
439213
-
9.23
-
S-Lactoylglutathione
S-Lactoylglutathione
ME595055
119450
-
9.26
-
Aspartic Acid
Aspartic acid
ME594932
5960
-
9.27
-
Glutathione
Glutathione
ME594962
-
-
9.4
-
2-Methylcitric Acid
2-Methylcitric acid
ME594901
439681
-
9.47
-
Serine
Serine
ME595058
5951
-
9.49
-
Citric Acid
Citric acid
ME594938
311
-
9.53
-
Glutamic Acid
Glutamic acid
ME594957
33032
-
9.58
-
Asparagine
Asparagine
ME594931
6267
-
9.68
-
Argininosuccinic Acid
Argininosuccinic acid
ME594928
16950
-
9.73
-
Ophthalmic Acid
Ophthalmic acid
ME594997
7018721
-
9.76
-
Glycine
Glycine
ME594960
750
-
9.94
-
Glutamine
Glutamine
ME594958
5961
-
9.97
-
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