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Return to study ST002078 main page
Analysis: Reversed phase NEGATIVE ION MODE (
View original submitter results
)
Select
Metabolite Name
RefMet Name/Standardized Name*
WorkBenchMetabolite_ID
PubChemCompound_ID
Kegg Id
Retentiontime/index
m/z ratio
2_3-Diphosphoglyceric acid
2,3-Diphosphoglyceric acid
ME478749
-
-
14.68
-
3-phosphoglycerate
3-Phosphoglyceric acid
ME478727
-
-
13.58
-
3-phospho-serine
Phosphoserine
ME478726
-
-
8.2
-
4-aminobutyrate
gamma-Aminobutyric acid
ME478684
-
-
4
-
4-phosphopantetheine
Pantetheine 4'-phosphate
ME478765
-
-
13.3
-
4-phosphopantothenate
(R)-4'-Phosphopantothenic acid
ME478754
-
-
13.94
-
4-Pyridoxic acid
4-Pyridoxic acid
ME478725
-
-
14.14
-
5-phosphoribosyl-1-pyrophosphate
Phosphoribosyl pyrophosphate
ME478773
-
-
15.13
-
6-phospho-D-gluconate
6-Phosphogluconic acid
ME478750
-
-
13.38
-
acetyl-aspartate
N-Acetylaspartic acid
ME478719
-
-
13
-
acetyl-CoA
Acetyl-CoA
ME478809
-
-
16.18
-
Acetyllysine
N(2)-Acetyllysine
ME478729
-
-
1.1
-
ADP-D-glucose
ADP-glucose
ME478799
-
-
13.72
-
a-ketoglutarate
2-Oxoglutaric acid
ME478705
-
-
13.13
-
alanine/sarcosine
Alanine/Sarcosine
ME478682
-
-
1
-
arginine
Arginine
ME478718
-
-
0.87
-
asparagine
Asparagine
ME478700
-
-
1.15
-
aspartate
Aspartic acid
ME478702
-
-
4.28
-
aspartate (standard)
Aspartic acid
ME478679
-
-
4.46
-
Asp-Leu-His (DLH)
Asp-Leu-His
ME478770
-
-
3.73
-
Asp-Leu-Ser (DLS)
Asp-Leu-Ser
ME478764
-
-
11.46
-
CDP
CDP
ME478776
-
-
13.53
-
CDP-choline
CDP-choline
ME478792
-
-
6.53
-
CDP-ethanolamine
CDP-Ethanolamine
ME478783
-
-
6.38
-
chlorpropamide
Chlorpropamide
ME478680
-
-
17.2
-
citrate/isocitrate
Citric acid/Isocitric acid
ME478731
-
-
13.6
-
CMP
CMP
ME478760
-
-
8.61
-
coenzyme A
Coenzyme A
ME478807
-
-
15.93
-
CTP
CTP
ME478789
-
-
14.75
-
cyclic-AMP
3',5' cyclic AMP
ME478762
-
-
12.97
-
Cystine
Cystine
ME478742
-
-
1.29
-
cytidine
Cytidine
ME478743
-
-
1.2
-
dAMP
dAMP
ME478763
-
-
12
-
dATP
dATP
ME478793
-
-
14.82
-
dCDP
dCDP
ME478772
-
-
13.58
-
dCMP
dCMP
ME478756
-
-
9.8
-
dCTP
dCTP
ME478785
-
-
14.8
-
Decanoyl-CoA
Decanoyl-CoA
ME478811
-
-
19.35
-
dGDP/ADP
ADP
ME478779
-
-
14
-
D-glucarate
Glucaric acid
ME478735
-
-
13
-
D-gluconate
Gluconic acid
ME478732
-
-
5
-
D-glyceraldehdye-3-phosphate
Glyceraldehyde 3-phosphate
ME478715
-
-
7.35
-
dGTP/ATP
ATP
ME478795
-
-
14.77
-
dihydroorotate
4,5-Dihydroorotic acid
ME478712
-
-
6.9
-
DL-Pipecolic Acid
Pipecolic acid
ME478695
-
-
1.2
-
D-sedoheptulose-1/7-phosphate
-
ME478752
-
-
7.29
-
dTDP
dTDP
ME478775
-
-
14.41
-
dTMP
dTMP
ME478759
-
-
11.27
-
dTTP
dTTP
ME478788
-
-
14.75
-
dUTP
dUTP
ME478786
-
-
14.81
-
FAD
FAD
ME478808
-
-
15
-
FMN
FMN
ME478784
-
-
14.54
-
folate
Folic acid
ME478781
-
-
13.99
-
fructose-6-phosphate
Fructose 6-phosphate
ME478746
-
-
7.98
-
fumarate
Fumaric acid
ME478687
-
-
13.49
-
GDP
GDP
ME478782
-
-
13.9
-
glucono-lactone
Gluconolactone
ME478722
-
-
6.9
-
glutamate
Glutamic acid
ME478708
-
-
3.26
-
glutamine
Glutamine
ME478706
-
-
1.17
-
glutathione
Glutathione
ME478757
-
-
8.02
-
glutathione disulfide
Oxidized glutathione
ME478801
-
-
12.94
-
GMP
GMP
ME478766
-
-
10.5
-
GTP
GTP
ME478796
-
-
14.92
-
guanine
Guanine
ME478711
-
-
3.4
-
Hexose
Hexose
ME478723
-
-
1.13
-
hexose-phosphate
Hexose 6-phosphate
ME478747
-
-
7
-
His-Val-Asp-Asp (HVDD)
-
ME478791
-
-
9.83
-
hydroxyproline/Aminolevulinate
cis-3-Hydroxyproline
ME478696
-
-
1.15
-
hypoxanthine
Hypoxanthine
ME478704
-
-
1.18
-
IDP
IDP
ME478780
-
-
13.9
-
isoleucine
Isoleucine
ME478698
-
-
2.22
-
lactate
Lactic acid
ME478683
-
-
7.28
-
L-arginino-succinate
Argininosuccinic acid
ME478753
-
-
3.25
-
Leu-Asp (LD)
Leu-Asp
ME478745
-
-
8.65
-
leucine
Leucine
ME478699
-
-
2.6
-
lysine
Lysine
ME478707
-
-
0.85
-
malate
Malic acid
ME478703
-
-
12.7
-
maleic acid
Maleic acid
ME478688
-
-
12.71
-
methionine
Methionine
ME478709
-
-
1.77
-
Myristoyl/tetradecanoyl-CoA
Myristoyl-CoA
ME478812
-
-
21.8
-
N-acetyl-glucosamine-1/6-phosphate
-
ME478755
-
-
7.3
-
N-acetyl-glutamate
N-Acetylglutamic acid
ME478730
-
-
13.37
-
N-acetyl-glutamine
N-Acetylglutamine
ME478728
-
-
7
-
N-Acetyl-L-alanine
N-Acetylalanine
ME478697
-
-
8.51
-
N-acetyl-L-ornithine
N-Acetylornithine
ME478717
-
-
1.21
-
NAD+
NAD
ME478802
-
-
8.62
-
NADH
NADH
ME478803
-
-
14.14
-
NADP+
NADP
ME478805
-
-
13.87
-
NADPH
NADPH
ME478806
-
-
14.87
-
N-carbamoyl-L-aspartate
Carbamoylaspartate
ME478720
-
-
12.25
-
nicotinate
Nicotinic acid
ME478692
-
-
11.2
-
Octulose 8/1P
-
ME478758
-
-
6
-
Octulose Bisphosphate
-
ME478774
-
-
13.64
-
ornithine
Ornithine
ME478701
-
-
1
-
Phenol Red
Phenolsulfonphthalein
ME478681
-
-
16.91
-
phenylalanine
Phenylalanine
ME478713
-
-
4.37
-
phosphoenolpyruvate
Phosphoenolpyruvic acid
ME478714
-
-
13.83
-
Pro-Asp (PD)
Pro-Asp
ME478740
-
-
4.68
-
Pro-Glu-Glu-Lys (PEEK)
-
ME478794
-
-
3.38
-
Pro-Glu-Glu (PEE)
Pro-Glu-Glu
ME478769
-
-
10.5
-
Pro-Glu (PE)
Pro-Glu
ME478744
-
-
4.55
-
proline
Proline
ME478686
-
-
1.27
-
Pro-Val-Asn-Phe (PVNF)
Pro-Val-Asn-Phe
ME478787
-
-
11.64
-
Pyroglutamic acid
Pyroglutamic acid
ME478694
-
-
7.69
-
Pyrophosphate
Pyrophosphate
ME478721
-
-
13.87
-
ribose
Ribose
ME478710
-
-
1.22
-
Ribose-5-phosphate
Ribose 5-phosphate
ME478738
-
-
6.94
-
ribose-phosphate
Ribose 5-phosphate
ME478737
-
-
6
-
ribulose-5-phosphate
Ribulose 5-phosphate
ME478739
-
-
7.81
-
S-adenosyl-L-homocysteine
S-Adenosylhomocysteine
ME478771
-
-
6.86
-
Sedoheptulose bisphosphate
Sedoheptulose 1,7-bisphosphate
ME478768
-
-
13.64
-
Ser-Asp (SD)
Ser-Asp
ME478736
-
-
4.08
-
serine
Serine
ME478685
-
-
1.14
-
sn-glycerol-3-phosphate
sn-Glycero-3-phosphate
ME478716
-
-
7.3
-
succinate/Methylmalonic acid
Methylmalonic acid
ME478690
-
-
11.72
-
succinyl-CoA/methylmalonyl-CoA
-
ME478810
-
-
16.93
-
thiamine
Thiamine
ME478748
-
-
1.55
-
Thiamine pyrophosphate
Thiamine diphosphate
ME478778
-
-
9.31
-
threonine/homoserine
Threonine/Homoserine
ME478691
-
-
1
-
thymine
Thymine
ME478693
-
-
2.6
-
tryptophan
Tryptophan
ME478733
-
-
7.5
-
tyrosine
Tyrosine
ME478724
-
-
2
-
UDP
UDP
ME478777
-
-
13.81
-
UDP-D-glucose
UDP-glucose
ME478797
-
-
13.44
-
UDP-D-glucuronate
UDP-glucuronic acid
ME478798
-
-
14.68
-
UDP-N-acetyl-glucosamine
UDP-N-acetylglucosamine
ME478800
-
-
13.37
-
UMP
UMP
ME478761
-
-
10.32
-
UTP
UTP
ME478790
-
-
14.81
-
Val-Asp-Pro-Val-Asn-Phe (VDPVNF)
-
ME478804
-
-
16.38
-
Val-Asp (VD)
Val-Asp
ME478741
-
-
6.33
-
valine
Valine
ME478689
-
-
1.45
-
xanthosine
Xanthosine
ME478751
-
-
7.77
-
xanthosine-5-phosphate
XMP
ME478767
-
-
12.7
-
Xanthurenic acid
Xanthurenic acid
ME478734
-
-
14.14
-
Analysis: Reversed phase NEGATIVE ION MODE (
View original submitter results
)
Select
Metabolite Name
RefMet Name/Standardized Name*
WorkBenchMetabolite_ID
PubChemCompound_ID
Kegg Id
Retentiontime/index
m/z ratio
1_3-Bisphosphoglyceric acid
1,3-Diphosphoglyceric acid
ME478890
-
-
13.87
-
3-phosphoglycerate
3-Phosphoglyceric acid
ME478868
-
-
13.58
-
3-phospho-serine
Phosphoserine
ME478867
-
-
8.2
-
4-aminobutyrate
gamma-Aminobutyric acid
ME478818
-
-
4
-
4-phosphopantetheine
Pantetheine 4'-phosphate
ME478916
-
-
13.3
-
4-phosphopantothenate
(R)-4'-Phosphopantothenic acid
ME478897
-
-
13.94
-
4-Pyridoxic acid
4-Pyridoxic acid
ME478866
-
-
14.14
-
5-phosphoribosyl-1-pyrophosphate
Phosphoribosyl pyrophosphate
ME478924
-
-
15.13
-
6-phospho-D-gluconate
6-Phosphogluconic acid
ME478892
-
-
13.38
-
acetyl-aspartate
N-Acetylaspartic acid
ME478859
-
-
13
-
acetyl-CoA
Acetyl-CoA
ME478959
-
-
16.18
-
Acetyllysine
N(2)-Acetyllysine
ME478870
-
-
1.1
-
acetylphosphate
Acetylphosphate
ME478839
-
-
12.74
-
aconitate
trans-Aconitic acid
ME478856
-
-
14
-
ADP-D-glucose
ADP-glucose
ME478949
-
-
13.72
-
a-ketoglutarate
2-Oxoglutaric acid
ME478840
-
-
13.13
-
alanine/sarcosine
Alanine/Sarcosine
ME478816
-
-
1
-
arginine
Arginine
ME478858
-
-
0.87
-
Asp-Ala-Leu (DAL)
Asp-Ala-Leu
ME478901
-
-
13
-
asparagine
Asparagine
ME478833
-
-
1.15
-
aspartate
Aspartic acid
ME478835
-
-
4.28
-
aspartate (standard)
Aspartic acid
ME478813
-
-
4.46
-
Asp-Leu-His (DLH)
Asp-Leu-His
ME478921
-
-
3.73
-
Asp-Leu-Ser (DLS)
Asp-Leu-Ser
ME478909
-
-
11.46
-
CDP
CDP
ME478927
-
-
13.53
-
CDP-choline
CDP-choline
ME478942
-
-
6.53
-
CDP-ethanolamine
CDP-Ethanolamine
ME478934
-
-
6.38
-
chlorpropamide
Chlorpropamide
ME478814
-
-
17.2
-
citrate/isocitrate
Citric acid/Isocitric acid
ME478872
-
-
13.6
-
CMP
CMP
ME478904
-
-
8.61
-
coenzyme A
Coenzyme A
ME478957
-
-
15.93
-
CTP
CTP
ME478939
-
-
14.75
-
cyclic-AMP
3',5' cyclic AMP
ME478906
-
-
12.97
-
Cystine
Cystine
ME478883
-
-
1.29
-
cytidine
Cytidine
ME478884
-
-
1.2
-
dAMP
dAMP
ME478907
-
-
12
-
dATP
dATP
ME478943
-
-
14.82
-
dCDP
dCDP
ME478923
-
-
13.58
-
dCMP
dCMP
ME478899
-
-
9.8
-
dCTP
dCTP
ME478936
-
-
14.8
-
Decanoyl-CoA
Decanoyl-CoA
ME478963
-
-
19.35
-
dGDP/ADP
ADP
ME478930
-
-
14
-
D-glucarate
Glucaric acid
ME478875
-
-
13
-
D-gluconate
Gluconic acid
ME478873
-
-
5
-
dGMP/AMP
dGMP
ME478914
-
-
11
-
dGTP/ATP
ATP
ME478945
-
-
14.77
-
dihydroorotate
4,5-Dihydroorotic acid
ME478850
-
-
6.9
-
dihydroxy-acetone-phosphate
Dihydroxyacetone phosphate
ME478854
-
-
9
-
DL-Pipecolic Acid
Pipecolic acid
ME478828
-
-
1.2
-
D-sedoheptulose-1/7-phosphate
-
ME478895
-
-
7.29
-
dTDP
dTDP
ME478926
-
-
14.41
-
dTMP
dTMP
ME478903
-
-
11.27
-
dTTP
dTTP
ME478938
-
-
14.75
-
FAD
FAD
ME478958
-
-
15
-
FMN
FMN
ME478935
-
-
14.54
-
folate
Folic acid
ME478932
-
-
13.99
-
fructose-1-6-bisphosphate
Fructose 1,6-bisphosphate
ME478912
-
-
13.6
-
fumarate
Fumaric acid
ME478821
-
-
13.49
-
GDP
GDP
ME478933
-
-
13.9
-
glucono-lactone
Gluconolactone
ME478862
-
-
6.9
-
glucose-1-phosphate
Glucose 1-phosphate
ME478887
-
-
7.98
-
glutamate
Glutamic acid
ME478844
-
-
3.26
-
glutamine
Glutamine
ME478842
-
-
1.17
-
glutathione
Glutathione
ME478900
-
-
8.02
-
glutathione disulfide
Oxidized glutathione
ME478951
-
-
12.94
-
GMP
GMP
ME478917
-
-
10.5
-
GTP
GTP
ME478946
-
-
14.92
-
guanine
Guanine
ME478847
-
-
3.4
-
Hexose
Hexose
ME478863
-
-
1.13
-
hexose-phosphate
Hexose 6-phosphate
ME478888
-
-
7
-
histidine
Histidine
ME478848
-
-
0.87
-
His-Val-Asp-Asp (HVDD)
-
ME478941
-
-
9.83
-
hydroxyproline/Aminolevulinate
cis-3-Hydroxyproline
ME478829
-
-
1.15
-
hypoxanthine
Hypoxanthine
ME478837
-
-
1.18
-
IDP
IDP
ME478931
-
-
13.9
-
IMP
IMP
ME478915
-
-
10.5
-
isoleucine
Isoleucine
ME478831
-
-
2.22
-
lactate
Lactic acid
ME478817
-
-
7.28
-
L-arginino-succinate
Argininosuccinic acid
ME478896
-
-
3.25
-
Leu-Asp (LD)
Leu-Asp
ME478886
-
-
8.65
-
leucine
Leucine
ME478832
-
-
2.6
-
lysine
Lysine
ME478843
-
-
0.85
-
malate
Malic acid
ME478836
-
-
12.7
-
maleic acid
Maleic acid
ME478822
-
-
12.71
-
methionine
Methionine
ME478845
-
-
1.77
-
myo-inositol
Myo-inositol
ME478864
-
-
7.2
-
Myristoyl/tetradecanoyl-CoA
Myristoyl-CoA
ME478964
-
-
21.8
-
N-acetyl-glucosamine-1/6-phosphate
-
ME478898
-
-
7.3
-
N-acetyl-glutamate
N-Acetylglutamic acid
ME478871
-
-
13.37
-
N-acetyl-glutamine
N-Acetylglutamine
ME478869
-
-
7
-
N-Acetyl-L-alanine
N-Acetylalanine
ME478830
-
-
8.51
-
N-acetyl-L-ornithine
N-Acetylornithine
ME478857
-
-
1.21
-
NAD+
NAD
ME478952
-
-
8.62
-
NADH
NADH
ME478953
-
-
14.14
-
NADP+
NADP
ME478955
-
-
13.87
-
NADPH
NADPH
ME478956
-
-
14.87
-
N-carbamoyl-L-aspartate
Carbamoylaspartate
ME478860
-
-
12.25
-
nicotinamide mononucleotide
Nicotinamide ribotide
ME478910
-
-
1.71
-
nicotinate
Nicotinic acid
ME478826
-
-
11.2
-
Nicotinic acid mononucleotide
Nicotinic acid mononucleotide
ME478911
-
-
11.44
-
Octanoyl-CoA
Octanoyl-CoA
ME478962
-
-
18.72
-
Octulose 8/1P
-
ME478902
-
-
6
-
Octulose Bisphosphate
-
ME478925
-
-
13.64
-
ornithine
Ornithine
ME478834
-
-
1
-
orotate
Orotic acid
ME478849
-
-
8.1
-
p-aminobenzoate
p-Aminobenzoic acid
ME478838
-
-
8.7
-
pantetheine
Pantetheine
ME478893
-
-
9.49
-
pantothenate
Pantothenic acid
ME478876
-
-
10.69
-
Phenol Red
Phenolsulfonphthalein
ME478815
-
-
16.91
-
Phenylacetyl-CoA
Phenylacetyl-CoA
ME478961
-
-
17.78
-
phenylalanine
Phenylalanine
ME478851
-
-
4.37
-
Phenylpropiolic acid
Phenylpropiolic acid
ME478841
-
-
15.2
-
phosphoenolpyruvate
Phosphoenolpyruvic acid
ME478852
-
-
13.83
-
Pro-Asp (PD)
Pro-Asp
ME478881
-
-
4.68
-
Pro-Glu-Glu-Lys (PEEK)
-
ME478944
-
-
3.38
-
Pro-Glu-Glu (PEE)
Pro-Glu-Glu
ME478920
-
-
10.5
-
Pro-Glu (PE)
Pro-Glu
ME478885
-
-
4.55
-
proline
Proline
ME478820
-
-
1.27
-
Pro-Val-Asn-Phe (PVNF)
Pro-Val-Asn-Phe
ME478937
-
-
11.64
-
pyridoxine
Pyridoxine
ME478853
-
-
1.8
-
Pyroglutamic acid
Pyroglutamic acid
ME478827
-
-
7.69
-
Pyrophosphate
Pyrophosphate
ME478861
-
-
13.87
-
ribose
Ribose
ME478846
-
-
1.22
-
Ribose-5-phosphate
Ribose 5-phosphate
ME478879
-
-
6.94
-
Ribose-5-S-homocysteine
S-Ribosylhomocysteine
ME478891
-
-
0.68
-
ribose-phosphate
Ribose 5-phosphate
ME478878
-
-
6
-
ribulose-5-phosphate
Ribulose 5-phosphate
ME478880
-
-
7.81
-
S-adenosyl-L-homocysteine
S-Adenosylhomocysteine
ME478922
-
-
6.86
-
Sedoheptulose bisphosphate
Sedoheptulose 1,7-bisphosphate
ME478919
-
-
13.64
-
Ser-Asp (SD)
Ser-Asp
ME478877
-
-
4.08
-
Ser-Ile-Asp (SID)
Ser-Ile-Asp
ME478908
-
-
10.96
-
serine
Serine
ME478819
-
-
1.14
-
sn-glycerol-3-phosphate
sn-Glycero-3-phosphate
ME478855
-
-
7.3
-
succinate/Methylmalonic acid
Methylmalonic acid
ME478824
-
-
11.72
-
succinyl-CoA/methylmalonyl-CoA
-
ME478960
-
-
16.93
-
thiamine
Thiamine
ME478889
-
-
1.55
-
thiamine-phosphate
TMP
ME478913
-
-
1.8
-
Thiamine pyrophosphate
Thiamine diphosphate
ME478929
-
-
9.31
-
threonine/homoserine
Threonine/Homoserine
ME478825
-
-
1
-
tryptophan
Tryptophan
ME478874
-
-
7.5
-
tyrosine
Tyrosine
ME478865
-
-
2
-
UDP
UDP
ME478928
-
-
13.81
-
UDP-D-glucose
UDP-glucose
ME478947
-
-
13.44
-
UDP-D-glucuronate
UDP-glucuronic acid
ME478948
-
-
14.68
-
UDP-N-acetyl-glucosamine
UDP-N-acetylglucosamine
ME478950
-
-
13.37
-
UMP
UMP
ME478905
-
-
10.32
-
UTP
UTP
ME478940
-
-
14.81
-
Val-Asp-Pro-Val-Asn-Phe (VDPVNF)
-
ME478954
-
-
16.38
-
Val-Asp (VD)
Val-Asp
ME478882
-
-
6.33
-
valine
Valine
ME478823
-
-
1.45
-
xanthosine
Xanthosine
ME478894
-
-
7.77
-
xanthosine-5-phosphate
XMP
ME478918
-
-
12.7
-
Analysis: Reversed phase NEGATIVE ION MODE (
View original submitter results
)
Select
Metabolite Name
RefMet Name/Standardized Name*
WorkBenchMetabolite_ID
PubChemCompound_ID
Kegg Id
Retentiontime/index
m/z ratio
2_3-Diphosphoglyceric acid
2,3-Diphosphoglyceric acid
ME479032
-
-
14.68
-
2-Hydroxy-2-methylbutanedioic acid
Citramalic acid
ME478995
-
-
12.06
-
3-phosphoglycerate
3-Phosphoglyceric acid
ME479014
-
-
13.58
-
3-phospho-serine
Phosphoserine
ME479013
-
-
8.2
-
4-aminobutyrate
gamma-Aminobutyric acid
ME478970
-
-
4
-
4-phosphopantetheine
Pantetheine 4'-phosphate
ME479052
-
-
13.3
-
4-phosphopantothenate
(R)-4'-Phosphopantothenic acid
ME479038
-
-
13.94
-
5-phosphoribosyl-1-pyrophosphate
Phosphoribosyl pyrophosphate
ME479062
-
-
15.13
-
6-phospho-D-gluconate
6-Phosphogluconic acid
ME479033
-
-
13.38
-
acetyl-aspartate
N-Acetylaspartic acid
ME479009
-
-
13
-
acetyl-CoA
Acetyl-CoA
ME479093
-
-
16.18
-
Acetyllysine
N(2)-Acetyllysine
ME479015
-
-
1.1
-
aconitate
trans-Aconitic acid
ME479006
-
-
14
-
adenine
Adenine
ME478988
-
-
3.5
-
ADP-D-glucose
ADP-glucose
ME479084
-
-
13.72
-
a-ketoglutarate
2-Oxoglutaric acid
ME478991
-
-
13.13
-
arginine
Arginine
ME479008
-
-
0.87
-
asparagine
Asparagine
ME478985
-
-
1.15
-
aspartate
Aspartic acid
ME478986
-
-
4.28
-
aspartate (standard)
Aspartic acid
ME478965
-
-
4.46
-
Asp-Leu-His (DLH)
Asp-Leu-His
ME479059
-
-
3.73
-
Asp-Leu-Ser (DLS)
Asp-Leu-Ser
ME479048
-
-
11.46
-
cCMP
-
ME479040
-
-
4.91
-
CDP
CDP
ME479065
-
-
13.53
-
CDP-ethanolamine
CDP-Ethanolamine
ME479070
-
-
6.38
-
chlorpropamide
Chlorpropamide
ME478966
-
-
17.2
-
citrate/isocitrate
Citric acid/Isocitric acid
ME479017
-
-
13.6
-
CMP
CMP
ME479045
-
-
8.61
-
coenzyme A
Coenzyme A
ME479091
-
-
15.93
-
CTP
CTP
ME479075
-
-
14.75
-
cytidine
Cytidine
ME479028
-
-
1.2
-
dAMP
dAMP
ME479047
-
-
12
-
dATP
dATP
ME479078
-
-
14.82
-
dCDP
dCDP
ME479061
-
-
13.58
-
dCMP
dCMP
ME479041
-
-
9.8
-
dCTP
dCTP
ME479072
-
-
14.8
-
dGDP/ADP
ADP
ME479067
-
-
14
-
D-gluconate
Gluconic acid
ME479018
-
-
5
-
dGMP/AMP
dGMP
ME479050
-
-
11
-
dGTP/ATP
ATP
ME479080
-
-
14.77
-
dihydroorotate
4,5-Dihydroorotic acid
ME479000
-
-
6.9
-
dihydroxy-acetone-phosphate
Dihydroxyacetone phosphate
ME479004
-
-
9
-
DL-Pipecolic Acid
Pipecolic acid
ME478980
-
-
1.2
-
D-sedoheptulose-1/7-phosphate
-
ME479035
-
-
7.29
-
dTDP
dTDP
ME479064
-
-
14.41
-
dTMP
dTMP
ME479044
-
-
11.27
-
dTTP
dTTP
ME479074
-
-
14.75
-
FAD
FAD
ME479092
-
-
15
-
FMN
FMN
ME479071
-
-
14.54
-
folate
Folic acid
ME479068
-
-
13.99
-
fructose-6-phosphate
Fructose 6-phosphate
ME479030
-
-
7.98
-
fumarate
Fumaric acid
ME478974
-
-
13.49
-
GDP
GDP
ME479069
-
-
13.9
-
glutamate
Glutamic acid
ME478994
-
-
3.26
-
glutamine
Glutamine
ME478992
-
-
1.17
-
glutathione
Glutathione
ME479042
-
-
8.02
-
glutathione disulfide
Oxidized glutathione
ME479086
-
-
12.94
-
glycerate
Glyceric acid
ME478972
-
-
6.35
-
GMP
GMP
ME479053
-
-
10.5
-
GTP
GTP
ME479081
-
-
14.92
-
guanine
Guanine
ME478997
-
-
3.4
-
Hexose
Hexose
ME479011
-
-
1.13
-
histidine
Histidine
ME478998
-
-
0.87
-
His-Val-Asp-Asp (HVDD)
-
ME479077
-
-
9.83
-
hydroxyproline/Aminolevulinate
cis-3-Hydroxyproline
ME478981
-
-
1.15
-
hypoxanthine
Hypoxanthine
ME478989
-
-
1.18
-
IMP
IMP
ME479051
-
-
10.5
-
isoleucine
Isoleucine
ME478984
-
-
2.22
-
lactate
Lactic acid
ME478969
-
-
7.28
-
L-arginino-succinate
Argininosuccinic acid
ME479036
-
-
3.25
-
leucine
Leucine
ME478983
-
-
2.6
-
lysine
Lysine
ME478993
-
-
0.85
-
malate
Malic acid
ME478987
-
-
12.7
-
maleic acid
Maleic acid
ME478975
-
-
12.71
-
methionine
Methionine
ME478996
-
-
1.77
-
N-acetyl-glucosamine-1/6-phosphate
-
ME479039
-
-
7.3
-
N-acetyl-glutamate
N-Acetylglutamic acid
ME479016
-
-
13.37
-
N-Acetyl-L-alanine
N-Acetylalanine
ME478982
-
-
8.51
-
N-acetyl-L-ornithine
N-Acetylornithine
ME479007
-
-
1.21
-
NAD+
NAD
ME479087
-
-
8.62
-
NADH
NADH
ME479088
-
-
14.14
-
NADP+
NADP
ME479089
-
-
13.87
-
NADPH
NADPH
ME479090
-
-
14.87
-
N-carbamoyl-L-aspartate
Carbamoylaspartate
ME479010
-
-
12.25
-
nicotinate
Nicotinic acid
ME478979
-
-
11.2
-
Octulose 8/1P
-
ME479043
-
-
6
-
Octulose Bisphosphate
-
ME479063
-
-
13.64
-
orotate
Orotic acid
ME478999
-
-
8.1
-
orotidine-5'-phosphate
Orotidylic acid
ME479055
-
-
13.58
-
p-aminobenzoate
p-Aminobenzoic acid
ME478990
-
-
8.7
-
pantothenate
Pantothenic acid
ME479020
-
-
10.69
-
Phenol Red
Phenolsulfonphthalein
ME478967
-
-
16.91
-
phenylalanine
Phenylalanine
ME479001
-
-
4.37
-
phosphoenolpyruvate
Phosphoenolpyruvic acid
ME479002
-
-
13.83
-
prephenate
Prephenic acid
ME479022
-
-
13.87
-
Pro-Asp (PD)
Pro-Asp
ME479026
-
-
4.68
-
Pro-Glu-Glu-Lys (PEEK)
-
ME479079
-
-
3.38
-
Pro-Glu-Glu (PEE)
Pro-Glu-Glu
ME479057
-
-
10.5
-
Pro-Glu (PE)
Pro-Glu
ME479029
-
-
4.55
-
proline
Proline
ME478973
-
-
1.27
-
Pro-Val-Asn-Phe (PVNF)
Pro-Val-Asn-Phe
ME479073
-
-
11.64
-
pyridoxine
Pyridoxine
ME479003
-
-
1.8
-
pyruvate
Pyruvic acid
ME478968
-
-
8.67
-
riboflavin
Riboflavin
ME479058
-
-
12.56
-
Ribose-5-phosphate
Ribose 5-phosphate
ME479025
-
-
6.94
-
ribose-phosphate
Ribose 5-phosphate
ME479024
-
-
6
-
ribulose-5-phosphate
Ribulose 5-phosphate
ME479023
-
-
7.81
-
S-adenosyl-L-homocysteine
S-Adenosylhomocysteine
ME479060
-
-
6.86
-
Sedoheptulose bisphosphate
Sedoheptulose 1,7-bisphosphate
ME479056
-
-
13.64
-
Ser-Asp-Leu (SDL)
Ser-Asp-Leu
ME479049
-
-
11.22
-
Ser-Asp (SD)
Ser-Asp
ME479021
-
-
4.08
-
serine
Serine
ME478971
-
-
1.14
-
S-methyl-5'-thioadenosine
5'-Methylthioadenosine
ME479037
-
-
11.6
-
sn-glycerol-3-phosphate
sn-Glycero-3-phosphate
ME479005
-
-
7.3
-
succinate/Methylmalonic acid
Methylmalonic acid
ME478977
-
-
11.72
-
succinyl-CoA/methylmalonyl-CoA
-
ME479094
-
-
16.93
-
thiamine
Thiamine
ME479031
-
-
1.55
-
threonine/homoserine
Threonine/Homoserine
ME478978
-
-
1
-
tryptophan
Tryptophan
ME479019
-
-
7.5
-
tyrosine
Tyrosine
ME479012
-
-
2
-
UDP
UDP
ME479066
-
-
13.81
-
UDP-D-glucose
UDP-glucose
ME479082
-
-
13.44
-
UDP-D-glucuronate
UDP-glucuronic acid
ME479083
-
-
14.68
-
UDP-N-acetyl-glucosamine
UDP-N-acetylglucosamine
ME479085
-
-
13.37
-
UMP
UMP
ME479046
-
-
10.32
-
UTP
UTP
ME479076
-
-
14.81
-
Val-Asp (VD)
Val-Asp
ME479027
-
-
6.33
-
valine
Valine
ME478976
-
-
1.45
-
xanthosine
Xanthosine
ME479034
-
-
7.77
-
xanthosine-5-phosphate
XMP
ME479054
-
-
12.7
-
Analysis: Reversed phase NEGATIVE ION MODE (
View original submitter results
)
Select
Metabolite Name
RefMet Name/Standardized Name*
WorkBenchMetabolite_ID
PubChemCompound_ID
Kegg Id
Retentiontime/index
m/z ratio
2_3-Diphosphoglyceric acid
2,3-Diphosphoglyceric acid
ME479167
-
-
14.68
-
2-Hydroxy-2-methylbutanedioic acid
Citramalic acid
ME479125
-
-
12.06
-
3-phosphoglycerate
3-Phosphoglyceric acid
ME479144
-
-
13.58
-
3-phospho-serine
Phosphoserine
ME479143
-
-
8.2
-
4-aminobutyrate
gamma-Aminobutyric acid
ME479100
-
-
4
-
4-phosphopantothenate
(R)-4'-Phosphopantothenic acid
ME479174
-
-
13.94
-
4-Pyridoxic acid
4-Pyridoxic acid
ME479142
-
-
14.14
-
5-phosphoribosyl-1-pyrophosphate
Phosphoribosyl pyrophosphate
ME479199
-
-
15.13
-
6-phospho-D-gluconate
6-Phosphogluconic acid
ME479169
-
-
13.38
-
acetyl-aspartate
N-Acetylaspartic acid
ME479137
-
-
13
-
acetyl-CoA
Acetyl-CoA
ME479231
-
-
16.18
-
Acetyllysine
N(2)-Acetyllysine
ME479146
-
-
1.1
-
aconitate
trans-Aconitic acid
ME479135
-
-
14
-
adenine
Adenine
ME479118
-
-
3.5
-
ADP-D-glucose
ADP-glucose
ME479222
-
-
13.72
-
a-ketoglutarate
2-Oxoglutaric acid
ME479121
-
-
13.13
-
alanine/sarcosine
Alanine/Sarcosine
ME479098
-
-
1
-
anthranilate
2-Aminobenzoic acid
ME479120
-
-
13.51
-
asparagine
Asparagine
ME479115
-
-
1.15
-
aspartate
Aspartic acid
ME479116
-
-
4.28
-
aspartate (standard)
Aspartic acid
ME479095
-
-
4.46
-
Asp-Leu-His (DLH)
Asp-Leu-His
ME479196
-
-
3.73
-
Asp-Leu-Ser (DLS)
Asp-Leu-Ser
ME479185
-
-
11.46
-
biotin
Biotin
ME479162
-
-
12.92
-
CDP
CDP
ME479202
-
-
13.53
-
CDP-choline
CDP-choline
ME479215
-
-
6.53
-
CDP-ethanolamine
CDP-Ethanolamine
ME479207
-
-
6.38
-
chlorpropamide
Chlorpropamide
ME479096
-
-
17.2
-
Citraconic acid
Citraconic acid
ME479110
-
-
13.29
-
citrate/isocitrate
Citric acid/Isocitric acid
ME479148
-
-
13.6
-
CMP
CMP
ME479180
-
-
8.61
-
coenzyme A
Coenzyme A
ME479229
-
-
15.93
-
CTP
CTP
ME479212
-
-
14.75
-
cytidine
Cytidine
ME479161
-
-
1.2
-
dAMP
dAMP
ME479182
-
-
12
-
dATP
dATP
ME479216
-
-
14.82
-
dCDP
dCDP
ME479198
-
-
13.58
-
dCMP
dCMP
ME479176
-
-
9.8
-
dCTP
dCTP
ME479209
-
-
14.8
-
dGDP/ADP
ADP
ME479204
-
-
14
-
D-glucarate
Glucaric acid
ME479152
-
-
13
-
D-gluconate
Gluconic acid
ME479149
-
-
5
-
dGMP/AMP
dGMP
ME479187
-
-
11
-
dGTP/ATP
ATP
ME479218
-
-
14.77
-
dihydroorotate
4,5-Dihydroorotic acid
ME479130
-
-
6.9
-
dihydroxy-acetone-phosphate
Dihydroxyacetone phosphate
ME479133
-
-
9
-
DL-Pipecolic Acid
Pipecolic acid
ME479109
-
-
1.2
-
D-sedoheptulose-1/7-phosphate
-
ME479172
-
-
7.29
-
dTDP
dTDP
ME479201
-
-
14.41
-
dTMP
dTMP
ME479179
-
-
11.27
-
dTTP
dTTP
ME479211
-
-
14.75
-
FAD
FAD
ME479230
-
-
15
-
FMN
FMN
ME479208
-
-
14.54
-
folate
Folic acid
ME479205
-
-
13.99
-
fructose-1-6-bisphosphate
Fructose 1,6-bisphosphate
ME479186
-
-
13.6
-
fructose-6-phosphate
Fructose 6-phosphate
ME479165
-
-
7.98
-
fumarate
Fumaric acid
ME479103
-
-
13.49
-
GDP
GDP
ME479206
-
-
13.9
-
glutamate
Glutamic acid
ME479124
-
-
3.26
-
glutamine
Glutamine
ME479122
-
-
1.17
-
glutathione
Glutathione
ME479177
-
-
8.02
-
glutathione disulfide
Oxidized glutathione
ME479224
-
-
12.94
-
GMP
GMP
ME479190
-
-
10.5
-
GTP
GTP
ME479219
-
-
14.92
-
guanine
Guanine
ME479127
-
-
3.4
-
guanosine
Guanosine
ME479170
-
-
4
-
Hexose
Hexose
ME479139
-
-
1.13
-
histidine
Histidine
ME479128
-
-
0.87
-
His-Val-Asp-Asp (HVDD)
-
ME479214
-
-
9.83
-
hydroxyproline/Aminolevulinate
cis-3-Hydroxyproline
ME479111
-
-
1.15
-
hypoxanthine
Hypoxanthine
ME479119
-
-
1.18
-
IMP
IMP
ME479188
-
-
10.5
-
inosine
Inosine
ME479168
-
-
3.5
-
isoleucine
Isoleucine
ME479114
-
-
2.22
-
Kynurenine
Kynurenine
ME479151
-
-
3.6
-
lactate
Lactic acid
ME479099
-
-
7.28
-
L-arginino-succinate
Argininosuccinic acid
ME479173
-
-
3.25
-
Leu-Asp (LD)
Leu-Asp
ME479164
-
-
8.65
-
leucine
Leucine
ME479113
-
-
2.6
-
lysine
Lysine
ME479123
-
-
0.85
-
malate
Malic acid
ME479117
-
-
12.7
-
maleic acid
Maleic acid
ME479104
-
-
12.71
-
methionine
Methionine
ME479126
-
-
1.77
-
myo-inositol
Myo-inositol
ME479140
-
-
7.2
-
N-acetyl-glucosamine-1/6-phosphate
-
ME479175
-
-
7.3
-
N-acetyl-glutamate
N-Acetylglutamic acid
ME479147
-
-
13.37
-
N-acetyl-glutamine
N-Acetylglutamine
ME479145
-
-
7
-
N-Acetyl-L-alanine
N-Acetylalanine
ME479112
-
-
8.51
-
N-acetyl-L-ornithine
N-Acetylornithine
ME479136
-
-
1.21
-
NAD+
NAD
ME479225
-
-
8.62
-
NADH
NADH
ME479226
-
-
14.14
-
NADP+
NADP
ME479227
-
-
13.87
-
NADPH
NADPH
ME479228
-
-
14.87
-
N-carbamoyl-L-aspartate
Carbamoylaspartate
ME479138
-
-
12.25
-
nicotinate
Nicotinic acid
ME479108
-
-
11.2
-
Octulose 8/1P
-
ME479178
-
-
6
-
Octulose Bisphosphate
-
ME479200
-
-
13.64
-
orotate
Orotic acid
ME479129
-
-
8.1
-
orotidine-5'-phosphate
Orotidylic acid
ME479192
-
-
13.58
-
pantothenate
Pantothenic acid
ME479153
-
-
10.69
-
Phenol Red
Phenolsulfonphthalein
ME479189
-
-
16.91
-
phenylalanine
Phenylalanine
ME479131
-
-
4.37
-
phosphoenolpyruvate
Phosphoenolpyruvic acid
ME479132
-
-
13.83
-
Pro-Asp (PD)
Pro-Asp
ME479158
-
-
4.68
-
Pro-Glu-Glu-Lys (PEEK)
-
ME479217
-
-
3.38
-
Pro-Glu-Glu (PEE)
Pro-Glu-Glu
ME479194
-
-
10.5
-
Pro-Glu (PE)
Pro-Glu
ME479163
-
-
4.55
-
proline
Proline
ME479102
-
-
1.27
-
Pro-Val-Asn-Phe (PVNF)
Pro-Val-Asn-Phe
ME479210
-
-
11.64
-
pyruvate
Pyruvic acid
ME479097
-
-
8.67
-
riboflavin
Riboflavin
ME479195
-
-
12.56
-
Ribose-5-phosphate
Ribose 5-phosphate
ME479156
-
-
6.94
-
ribose-phosphate
Ribose 5-phosphate
ME479157
-
-
6
-
ribulose-5-phosphate
Ribulose 5-phosphate
ME479155
-
-
7.81
-
S-adenosyl-L-homocysteine
S-Adenosylhomocysteine
ME479197
-
-
6.86
-
Sedoheptulose bisphosphate
Sedoheptulose 1,7-bisphosphate
ME479193
-
-
13.64
-
Ser-Asp-Leu (SDL)
Ser-Asp-Leu
ME479184
-
-
11.22
-
Ser-Asp (SD)
Ser-Asp
ME479154
-
-
4.08
-
Ser-Ile-Asp (SID)
Ser-Ile-Asp
ME479183
-
-
10.96
-
serine
Serine
ME479101
-
-
1.14
-
sn-glycerol-3-phosphate
sn-Glycero-3-phosphate
ME479134
-
-
7.3
-
succinate/Methylmalonic acid
Methylmalonic acid
ME479106
-
-
11.72
-
thiamine
Thiamine
ME479166
-
-
1.55
-
threonine/homoserine
Threonine/Homoserine
ME479107
-
-
1
-
thymidine
Thymidine
ME479160
-
-
5.4
-
tryptophan
Tryptophan
ME479150
-
-
7.5
-
tyrosine
Tyrosine
ME479141
-
-
2
-
UDP
UDP
ME479203
-
-
13.81
-
UDP-D-glucose
UDP-glucose
ME479220
-
-
13.44
-
UDP-D-glucuronate
UDP-glucuronic acid
ME479221
-
-
14.68
-
UDP-N-acetyl-glucosamine
UDP-N-acetylglucosamine
ME479223
-
-
13.37
-
UMP
UMP
ME479181
-
-
10.32
-
UTP
UTP
ME479213
-
-
14.81
-
Val-Asp (VD)
Val-Asp
ME479159
-
-
6.33
-
valine
Valine
ME479105
-
-
1.45
-
xanthosine
Xanthosine
ME479171
-
-
7.77
-
xanthosine-5-phosphate
XMP
ME479191
-
-
12.7
-
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