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Return to study ST002827 main page
Analysis: HILIC NEGATIVE ION MODE
Select
Metabolite Name
RefMet Name/Standardized Name*
WorkBenchMetabolite_ID
PubChemCompound_ID
Kegg Id
Retentiontime/index
m/z ratio
2-hydroxyglutarate
2-Hydroxyglutaric acid
ME733878
43
C02630
-
-
methylmalonate
Methylmalonic acid
ME733901
487
C02170
-
-
dihydroxyacetone_phosphate_(DHAP)
Dihydroxyacetone phosphate
ME733884
668
C00184
-
-
indoleacetate
Indoleacetic acid
ME733893
802
C00954
-
-
kynurenine
Kynurenine
ME733897
846
C01718
-
-
inositol
Inositol
ME733895
892
-
-
-
urate
Uric acid
ME733906
1175
C00366
-
-
xanthine
Xanthine
ME733908
1188
C00385
-
-
sorbitol
Sorbitol
ME733903
5780
C00794
-
-
inosine
Inosine
ME733894
6021
C00294
-
-
uridine
Uridine
ME733907
6029
C00299
-
-
adenosine_monophosphate_(AMP)
AMP
ME733881
6083
C00020
-
-
cytidine
Cytidine
ME733883
6175
C00475
-
-
taurocholate
Taurocholic acid
ME733905
6675
-
-
-
4-pyridoxate
4-Pyridoxic acid
ME733880
6723
C00847
-
-
glycocholate
Glycocholic acid
ME733887
10140
C01921
-
-
lactate
Lactic acid
ME733898
91435
C01432
-
-
indole-3-propionate
3-Indolepropionic acid
ME733892
134324
-
-
-
succinate
Succinic acid
ME733904
160419
C00042
-
-
malate
Malic acid
ME733900
160434
C00711
-
-
ribose-5-phosphate_ribulose-5-phosphate
-
ME733902
439184
C00121
-
-
lactose
Lactose
ME733899
440995
C01970
-
-
hippurate
Hippuric acid
ME733890
516953
C01586
-
-
glycodeoxycholate_glycochenodeoxycholate
-
ME733888
3035026
-
-
-
isocitrate
Isocitric acid
ME733896
5460172
C00311
-
-
2-aminoadipate
alpha-Aminoadipic acid
ME733877
6992111
-
-
-
3-methyladipate_pimelate
-
ME733879
6999745
-
-
-
xanthurenate
Xanthurenic acid
ME733909
53481609
C02470
-
-
alpha-hydroxybutyrate
2-Hydroxybutyric acid
ME733882
129763027
-
-
-
fructose_glucose_galactose
Hexose
ME733885
-
-
-
-
fumarate_maleate
Fumaric acid
ME733886
-
-
-
-
hexose_monophosphate_(F1P_F6P_G1P_G6P)
-
ME733889
-
C00159
-
-
hydroxyphenylacetate
Hydroxyphenyl acetate
ME733891
-
-
-
-
Analysis: HILIC POSITIVE ION MODE
Select
Metabolite Name
RefMet Name/Standardized Name*
WorkBenchMetabolite_ID
PubChemCompound_ID
Kegg Id
Retentiontime/index
m/z ratio
N-carbamoyl-beta-alanine
Ureidopropionic acid
ME733935
111
C02642
-
-
acetylcholine
Acetylcholine
ME733910
187
C01996
-
-
allantoin_T
Allantoin
ME733912
204
C01551
-
-
anthranilic_acid
2-Aminobenzoic acid
ME733914
227
C00108
-
-
betaine
Betaine
ME733917
247
C00719
-
-
choline
Choline
ME733919
305
C00114
-
-
creatine
Creatine
ME733922
586
C00300
-
-
creatinine
Creatinine
ME733923
588
C00791
-
-
dimethylglycine
Dimethylglycine
ME733924
673
C01026
-
-
niacinamide
Niacinamide
ME733936
936
C00153
-
-
taurine
Taurine
ME733944
1123
C00245
-
-
trimethylamine-N-oxide
Trimethylamine N-oxide
ME733948
1145
C01104
-
-
kynurenic_acid
Kynurenic acid
ME733931
3845
C01717
-
-
serotonin
Serotonin
ME733942
5202
C00780
-
-
cis trans_hydroxyproline
-
ME733920
5810
C01157
-
-
triiodothyronine
Liothyronine
ME733947
5920
C02465
-
-
alanine
Alanine
ME733911
5950
C00041
-
-
serine
Serine
ME733941
5951
C00065
-
-
glutamine
Glutamine
ME733927
5961
C00064
-
-
lysine
Lysine
ME733933
5962
C00047
-
-
tyrosine_T
Tyrosine
ME733950
6057
C00082
-
-
leucine
Leucine
ME733932
6106
C00123
-
-
phenylalanine_T
Phenylalanine
ME733939
6140
C00079
-
-
ornithine
Ornithine
ME733938
6262
C00077
-
-
asparagine
Asparagine
ME733916
6267
C00152
-
-
histidine
Histidine
ME733929
6274
C00135
-
-
valine_T
Valine
ME733951
6287
C00183
-
-
threonine
Threonine
ME733945
6288
C00188
-
-
tryptophan_T
Tryptophan
ME733949
6305
C00078
-
-
isoleucine
Isoleucine
ME733930
6306
C00407
-
-
carnitine
Carnitine
ME733918
10917
C00318
-
-
Acetyl-carnitine
CAR 2:0
ME733953
18230
-
-
-
arginine
Arginine
ME733915
28782
C00062
-
-
dimethyl-L-arginine_ADMA
-
ME733925
28782
C00062
-
-
N-monomethyl-L-arginine_NMMA
-
ME733937
28782
C00062
-
-
glutamate
Glutamic acid
ME733926
33032
C00025
-
-
xanthosine
Xanthosine
ME733952
64959
C01762
-
-
3-Methylglutaryl-carnitine
CAR DC5:0;3Me
ME733961
128145
-
-
-
proline
Proline
ME733940
145742
C00148
-
-
Isobutyryl-carnitine
CAR 3:0;2Me
ME733955
168379
-
-
-
Lauroyl-carnitine
CAR 12:0
ME733963
168381
-
-
-
Propionyl-carnitine
CAR 3:0
ME733954
188824
-
-
-
Butyryl-carnitine
CAR 4:0
ME733956
213144
-
-
-
alpha-glycerophosphocholine
sn-Glycero-3-phosphocholine
ME733913
657272
D07349
-
-
methionine_T
Methionine
ME733934
5255805
C01733
-
-
glycine_T
Glycine
ME733928
5257127
C00037
-
-
Oleyl-carnitine
CAR 18:1
ME733968
6441392
-
-
-
citrulline
Citrulline
ME733921
6992098
C00327
-
-
Palmitoyl-carnitine
CAR 16:0
ME733966
11953816
-
-
-
symmetrical_dimethylarginine_SDMA
-
ME733943
17801140
-
-
-
thyroxine
Thyroxine
ME733946
25201348
C01829
-
-
Linoleyl-carnitine
CAR 18:2
ME733967
51000598
-
-
-
Stearoyl-carnitine
CAR 18:0
ME733969
52922056
-
-
-
Myristoyl-carnitine
CAR 14:0
ME733964
53477791
-
-
-
3-Hydroxy-hexanoyl-carnitine
CAR 6:0;3OH
ME733957
53481624
-
-
-
Octanoyl-carnitine
CAR 8:0
ME733960
70679121
-
-
-
Octenoyl-carnitine
CAR 8:1
ME733959
70679121
-
-
-
Decenoyl-carnitine
CAR 10:1
ME733962
71464497
-
-
-
Palmitoleoyl-carnitine
CAR 16:1
ME733965
71464547
-
-
-
3-Hydroxy-linoleyl-carnitine
CAR 18:2;OH
ME733970
71464556
-
-
-
Glutaryl-carnitine
CAR DC5:0
ME733958
-
-
-
-
Analysis: Reversed phase POSITIVE ION MODE
Select
Metabolite Name
RefMet Name/Standardized Name*
WorkBenchMetabolite_ID
PubChemCompound_ID
Kegg Id
Retentiontime/index
m/z ratio
C48:0 TAG NH4+
TG 48:0
ME734017
11147
-
-
-
C32:0 PC
PC 32:0
ME733973
452110
-
-
-
C16:0 LPC
LPC 16:0
ME733987
460602
-
-
-
C14:0 LPC
LPC 14:0
ME733986
460604
-
-
-
C18:0 LPC
LPC 18:0
ME733990
497299
-
-
-
C46:0 TAG NH4+
TG 46:0
ME734014
4099879
-
-
-
C18:2 CE Na+
CE 18:2
ME734011
5287939
-
-
-
C34:2 PC
PC 34:2
ME733974
5287971
-
-
-
C54:6 TAG NH4+
TG 54:6
ME734021
5322095
-
-
-
C34:1 PC
PC 34:1
ME733975
5497103
-
-
-
C32:1 PC
PC 32:1
ME733972
6443788
-
-
-
C18:2 SM
SM 18:1;O2/18:2
ME733999
6443882
-
-
-
C18:1 SM
SM 18:1;O2/18:1
ME734000
6453725
-
-
-
C48:1 TAG NH4+
TG 48:1
ME734016
9543986
-
-
-
C48:2 TAG NH4+
TG 48:2
ME734015
9543987
-
-
-
C36:1 PE
PE 36:1
ME733992
9546734
-
-
-
C18:1 LPE
LPE 18:1
ME733995
9547071
-
-
-
C16:1 SM
SM 18:1;O2/16:1
ME733998
9939941
-
-
-
C36:2 PC
PC 36:2
ME733979
10350317
-
-
-
C36:4 PC-A
PC 36:4
ME733976
10747814
-
-
-
C36:4 PC-B
PC 36:4
ME733977
10747814
-
-
-
C18:2 LPC
LPC 18:2
ME733988
11005824
-
-
-
C44:0 TAG NH4+
TG 44:0
ME734013
14169768
-
-
-
C22:6 CE NH4+
CE 22:6
ME734009
14274978
-
-
-
C18:1 LPC
LPC 18:1
ME733989
16081932
-
-
-
C38:4 PC
PC 38:4
ME733983
16219824
-
-
-
C16:1 CE Na+
CE 16:1
ME734010
22833543
-
-
-
C32:2 PC
PC 32:2
ME733971
24778764
-
-
-
C36:1 PC
PC 36:1
ME733980
24778825
-
-
-
C40:6 PC
PC 40:6
ME733985
24778900
-
-
-
C36:3 PC
PC 36:3
ME733978
24778937
-
-
-
C50:3 TAG NH4+
TG 50:3
ME734019
25240357
-
-
-
C50:4 TAG NH4+
TG 50:4
ME734018
25240359
-
-
-
C20:0 SM
SM 18:1;O2/20:0
ME734001
44260124
-
-
-
C22:0 SM
SM 18:1;O2/22:0
ME734003
44260125
-
-
-
C24:0 SM
SM 18:1;O2/24:0
ME734007
44260134
-
-
-
C14:0 SM
SM 18:1;O2/14:0
ME733997
44260138
-
-
-
C23:1 SM
SM 18:1;O2/23:1
ME734004
46891684
-
-
-
C38:3 PC
PC 38:3
ME733984
52922741
-
-
-
C38:5 PC
PC 38:5
ME733982
52923235
-
-
-
C38:6 PC
PC 38:6
ME733981
52923295
-
-
-
C36:0 PE
PE 36:0
ME733993
52924864
-
-
-
C18:2 LPE
LPE 18:2
ME733994
52925130
-
-
-
C22:6 LPE
LPE 22:6
ME733996
52925132
-
-
-
C22:1 SM
SM 18:1;O2/22:1
ME734002
52931201
-
-
-
C24:1 SM
SM 18:1;O2/24:1
ME734006
52931217
-
-
-
C20:5 CE NH4+
CE 20:5
ME734008
53477889
-
-
-
C20:3 CE Na+
CE 20:3
ME734012
53477892
-
-
-
C20:4 LPC
LPC 20:4
ME733991
53480469
-
-
-
C23:0 SM
SM 18:1;O2/23:0
ME734005
53481364
-
-
-
C52:2 TAG NH4+
TG 52:2
ME734020
56938176
-
-
-
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