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Return to study ST001865 main page
Analysis: GC POSITIVE ION MODE
Select
Metabolite Name
RefMet Name/Standardized Name*
WorkBenchMetabolite_ID
PubChemCompound_ID
Kegg Id
Retentiontime/index
m/z ratio
phosphate
Phosphoric acid
ME428701
1061
C00009
1307.7
-
pyrophosphate (PPi)
Pyrophosphate
ME428706
644102
C00013
1642.3
-
pyruvate
Pyruvic acid
ME428707
107735
C00022
1130.6
-
glutamate
Glutamic acid
ME428671
611
C00025
1836.8
-
alpha-ketoglutarate
2-Oxoglutaric acid
ME428647
51
C00026
1779
-
glucose
Glucose
ME428670
79025
C00031
1866.8
-
glycine
Glycine
ME428677
-
C00037
1486.9
-
succinate
Succinic acid
ME428716
1110
C00042
1348
-
lysine
Lysine
ME428686
5962
C00047
1910
-
aspartate
Aspartic acid
ME428652
5960
C00049
1763.1
-
serine
Serine
ME428712
-
C00065
1656.3
-
ascorbate (Vitamin C)
Vitamin C
ME428650
-
C00072
1850.1
-
phosphoenolpyruvate (PEP)
Phosphoenolpyruvic acid
ME428702
1005
C00074
1595.4
-
ornithine
Ornithine
ME428696
6262
C00077
1940.3
-
urea
Urea
ME428723
-
C00086
1223.9
-
glycerol 3-phosphate (G3P)
sn-Glycero-3-phosphate
ME428676
754
C00093
1719.7
-
fructose
Fructose
ME428666
5984
C00095
1758
-
beta-alanine
beta-Alanine
ME428654
-
C00099
1582.3
-
uracil
Uracil
ME428722
1174
C00106
1370.4
-
glycerol
Glycerol
ME428674
753
C00116
1311
-
ribose
Ribose
ME428709
5311110
C00121
1652
-
fumarate
Fumaric acid
ME428668
-
C00122
1382.1
-
myo-inositol
Myo-inositol
ME428690
-
C00137
1924.9
-
malate
Malic acid
ME428687
525
C00149
1502
-
asparagine
Asparagine
ME428651
-
C00152
1854
-
citrate
Citric acid
ME428661
311
C00158
1763.4
-
mannose
Mannose
ME428689
161658
C00159
1753.5
-
glycolate (hydroxyacetate)
Glycolic acid
ME428678
-
C00160
1119
-
beta-hydroxypyruvate
Hydroxypyruvic acid
ME428655
964
C00168
1425.1
-
benzoate
Benzoic acid
ME428653
243
C00180
1291.5
-
xylose
Xylose
ME428727
95259
C00181
1723.9
-
lactate
Lactic acid
ME428685
612
C00186
1102.8
-
cholesterol
Cholesterol
ME428659
6432564
C00187
2316.9
-
threonine
Threonine
ME428720
-
C00188
1687.4
-
oxalate (ethanedioate)
Oxalic acid
ME428698
-
C00209
1175.1
-
taurine
Taurine
ME428717
-
C00245
1616.4
-
gluconate
Gluconic acid
ME428669
10690
C00257
1879.4
-
glycerate
Glyceric acid
ME428673
752
C00258
1360.7
-
homoserine (homoserine lactone)
Homoserine
ME428680
-
C00263
1726.1
-
N-acetylneuraminate
N-Acetylneuraminic acid
ME428693
-
C00270
2074.9
-
orotate
Orotic acid
ME428697
967
C00295
1709.6
-
ribulose
L-Ribulose
ME428710
79021
C00309
1662
-
xylulose
Xylulose
ME428728
5289590
C00310
1668
-
2-oxoadipate
Oxoadipic acid
ME428631
71
C00322
1676
-
phosphoethanolamine (PE)
Phosphoethanolamine
ME428703
-
C00346
1577.3
-
xylitol
Xylitol
ME428725
6912
C00379
1677.6
-
xanthine
Xanthine
ME428724
1188
C00385
1889.9
-
mannitol
Mannitol
ME428688
6251
C00392
1839
-
5,6-dihydrouracil
Dihydrouracil
ME428638
649
C00429
1505.2
-
ribitol
Ribitol
ME428708
-
C00474
1692.4
-
glutarate (pentanedioate)
Glutaric acid
ME428672
4418048
C00489
1433.6
-
erythritol
Erythritol
ME428664
-
C00503
1517.5
-
sphingomyelin
SM 18:1;O2/18:0
ME428715
6453725
C00550
2645
-
1,2-propanediol
1,2-Propanediol
ME428618
-
C00583
1041
-
3-phosphoglycerate
3-Phosphoglyceric acid
ME428636
-
C00597
1754
-
4-hydroxyphenylacetate
4-Hydroxyphenyl acetate
ME428637
4693933
C00642
1630.6
-
oleate (18:1n9)
Oleic acid
ME428695
445639
C00712
1984.4
-
sorbitol
Sorbitol
ME428713
107428
C00794
1843
-
alanylalanine
Ala-Ala
ME428644
-
C00993
1379.5
-
dimethylglycine
Dimethylglycine
ME428663
-
C01026
1030
-
gulono-1,4-lactone
D-Gulonolactone
ME428679
608
C01040
1862
-
N-acetylaspartate (NAA)
N-Acetylaspartic acid
ME428691
65065
C01042
1648.5
-
5-ketogluconate
-
ME428641
5460352
C01062
1841.1
-
3-hydroxybutyrate (BHBA)
3-Hydroxybutyric acid
ME428634
441
C01089
1203.5
-
1-methylhistidine
1-Methylhistidine
ME428621
-
C01152
1757.7
-
hydroxyproline
Hydroxyproline
ME428721
-
C01157
1733.1
-
threonate
Threonic acid
ME428719
151152
C01620
1560.7
-
3-(4-hydroxyphenyl)propionate
Desaminotyrosine
ME428633
10394
C01744
1727.9
-
beta-sitosterol
Sitosterol
ME428656
222284
C01753
2380.8
-
campesterol
Campesterol
ME428657
173183
C01789
2353
-
indolelactate
Indolelactic acid
ME428681
92904
C02043
1964.9
-
fucose
Fucose
ME428667
3034656
C02095
1682.2
-
2-aminobutyrate
2-Aminobutyric acid
ME428626
-
C02261
1537.5
-
allantoin
Allantoin
ME428645
204
C02350
1809.8
-
2-hydroxyadipate
2-Hydroxyadipic acid
ME428627
193530
C02360
1653
-
alpha-tocopherol
alpha-Tocopherol
ME428648
14985
C02477
2305.4
-
2-hydroxyglutarate
2-Hydroxyglutaric acid
ME428629
43
C02630
1576
-
pimelate (heptanedioate)
Pimelic acid
ME428704
385
C02656
1602.9
-
glycerol 2-phosphate
sn-Glycero-2-phosphate
ME428675
2526
C02979
1691.8
-
2-(4-hydroxyphenyl)propionate
4-Hydroxyphenyl-2-propionic acid
ME428625
102526
C03080
1635
-
7-beta-hydroxycholesterol
7beta-Hydroxycholesterol
ME428642
473141
C03594
2340
-
pinitol
Pinitol
ME428705
-
C03844
1773
-
inositol 1-phosphate (I1P)
Inositol 3-phosphate
ME428682
-
C04006
2057.8
-
2,3-dihydroxyisovalerate
2,3-Dihydroxyisovaleric acid
ME428624
677
C04039
1422
-
xylonate
Xylonic acid
ME428726
6602431
C05411
1722
-
5-hydroxyindoleacetate
5-Hydroxyindoleacetic acid
ME428639
1826
C05635
1983.2
-
2-hydroxybutyrate (AHB)
2-Hydroxybutyric acid
ME428628
440864
C05984
1169.4
-
3-hydroxyisobutyrate
3-Hydroxyisobutyric acid
ME428635
11966314
C06001
1205
-
adipate
Adipic acid
ME428643
196
C06104
1520
-
scyllo-inositol
Myo-inositol
ME428711
-
C06153
1893.8
-
arachidate (20:0)
Arachidic acid
ME428649
10467
C06425
2071.2
-
1,5-anhydroglucitol (1,5-AG)
1,5-Anhydrosorbitol
ME428620
-
C07326
1788.7
-
vaccenate (18:1n7)
trans-Vaccenic acid
ME428660
5282761
C08367
1987
-
stearamide
Stearamide
ME428714
31292
C13846
2071
-
pentadecanoate (15:0)
Pentadecylic acid
ME428700
13849
C16537
1853.5
-
threitol
Threitol
ME428718
169019
C16884
1513
-
isosorbide
-
ME428684
12597
D00347
1522
-
1-stearoylglycerol (18:0)
MG 18:0/0:0/0:0
ME428622
24699
D01947
2186.6
-
1,2-dipalmitoylglycerol
DG 16:0_16:0
ME428617
99931
-
2600
-
1,3-dipalmitoylglycerol
DG 16:0_16:0
ME428619
68149
-
2637
-
13-methylmyristic acid
Isopentadecylic acid
ME428623
151014
-
1833
-
2-hydroxyisobutyrate
2-Hydroxyisobutyric acid
ME428630
11671
-
1107.5
-
2-palmitoylglycerol (16:0)
MG 0:0/16:0/0:0
ME428632
123409
-
2108
-
5-hydroxymethyl-2-furoic acid
Sumiki's acid
ME428640
80642
-
1559.1
-
alpha-hydroxyisovalerate
2-Hydroxy-3-methylbutyric acid
ME428646
99823
-
1208
-
chiro-inositol
1D-chiro-Inositol
ME428658
-
-
1857
-
dihydrocholesterol
Dihydrocholesterol
ME428662
6665
-
2320.8
-
erythronate*
Erythronic acid
ME428665
2781043
-
1546.9
-
Isobar: ribulose 5-phosphate, xylulose 5-phosphate
-
ME428683
-
-
1935
-
N-acetylglycine
N-Acetylglycine
ME428692
10972
-
1396.4
-
N-acetylserine
N-Acetylserine
ME428694
65249
-
1526
-
palmitoyl sphingomyelin
SM 18:1;O2/16:0
ME428699
9939941
-
2524
-
Analysis: LC/MS POSITIVE ION MODE
Select
Metabolite Name
RefMet Name/Standardized Name*
WorkBenchMetabolite_ID
PubChemCompound_ID
Kegg Id
Retentiontime/index
m/z ratio
AMP
AMP
ME428759
15938965
C00020
1210
-
heme
Heme
ME428792
-
C00032
5057
-
alanine
Alanine
ME428760
-
C00041
650
-
arginine
Arginine
ME428762
-
C00062
650
-
glutamine
Glutamine
ME428788
5961
C00064
684
-
methionine
Methionine
ME428805
-
C00073
1252
-
tryptophan
Tryptophan
ME428833
-
C00078
2445
-
phenylalanine
Phenylalanine
ME428819
-
C00079
2056
-
tyrosine
Tyrosine
ME428834
-
C00082
1516
-
anthranilate
2-Aminobenzoic acid
ME428761
-
C00108
3213
-
choline
Choline
ME428768
170746
C00114
674
-
leucine
Leucine
ME428803
-
C00123
1674
-
glutathione, oxidized (GSSG)
Oxidized glutathione
ME428789
-
C00127
1535
-
proline
Proline
ME428822
-
C00148
796
-
nicotinamide
Niacinamide
ME428813
936
C00153
1267
-
5-methylthioadenosine (MTA)
5'-Methylthioadenosine
ME428754
439176
C00170
2427
-
valine
Valine
ME428835
-
C00183
1040
-
adenosine
Adenosine
ME428758
60961
C00212
1650
-
creatine
Creatine
ME428771
586
C00300
758
-
carnitine
Carnitine
ME428767
10917
C00318
702
-
sphingosine
Sphingosine
ME428826
5353955
C00319
5197
-
citrulline
Citrulline
ME428769
833
C00327
715
-
kynurenine
Kynurenine
ME428801
-
C00328
1902
-
isoleucine
Isoleucine
ME428799
791
C00407
1614
-
pipecolate
Pipecolic acid
ME428820
849
C00408
1120
-
cytidine
Cytidine
ME428774
6175
C00475
1065
-
glycerophosphorylcholine (GPC)
sn-Glycero-3-phosphocholine
ME428790
657272
C00670
694
-
betaine
Betaine
ME428763
247
C00719
721
-
serotonin (5HT)
Serotonin
ME428824
5202
C00780
1660
-
trans-urocanate
Urocanic acid
ME428832
736715
C00785
1119
-
creatinine
Creatinine
ME428772
588
C00791
730
-
sphinganine
Sphinganine
ME428825
3126
C00836
5175
-
pantothenate (Vitamin B5)
Pantothenic acid
ME428818
6613
C00864
2218
-
2'-deoxycytidine
Deoxycytidine
ME428740
13711
C00881
1256
-
2-aminoadipate
alpha-Aminoadipic acid
ME428741
469
C00956
794
-
4-guanidinobutanoate
4-Guanidinobutanoic acid
ME428753
500
C01035
1085
-
N-acetyl-beta-alanine
N-Acetyl-beta-alanine
ME428806
76406
C01073
1460
-
deoxycarnitine
3-Dehydroxycarnitine
ME428775
725
C01181
759
-
xanthosine
Xanthosine
ME428836
64959
C01762
1785
-
5-oxoproline
Pyroglutamic acid
ME428755
7405
C01879
1446
-
corticosterone
Corticosterone
ME428770
5753
C02140
4856
-
7-methylguanine
7-Methylguanine
ME428756
11361
C02242
1353
-
homocitrulline
Homocitrulline
ME428794
-
C02427
832
-
1-methyladenosine
1-Methyladenosine
ME428810
5460178
C02494
1356
-
acetylcarnitine (C2)
CAR 2:0
ME428757
7045767
C02571
1203
-
3-dehydrocarnitine*
3-Dehydrocarnitine
ME428748
6991982
C02636
1020
-
3-ureidopropionate
Ureidopropionic acid
ME428751
111
C02642
1062
-
N-acetylleucine
N-Acetylleucine
ME428808
70912
C02710
3444
-
octanoylcarnitine (C8)
CAR 8:0
ME428814
123701
C02838
4100
-
4-acetamidobutanoate
4-Acetamidobutanoic acid
ME428752
18189
C02946
1724
-
palmitoylcarnitine (C16)
CAR 16:0
ME428817
461
C02990
5179
-
propionylcarnitine (C3)
CAR 3:0
ME428823
107738
C03017
1589
-
dimethylarginine (ADMA + SDMA)
Dimethylarginine
ME428776
123831
C03626
812
-
1-linoleoyl-GPC (18:2)
LPC 18:2/0:0
ME428734
11988421
C04100
5574
-
1-arachidonoyl-GPC* (20:4)*
LPC 20:4/0:0
ME428729
-
C05208
5554
-
ergothioneine
Ergothioneine
ME428778
3032311
C05570
847
-
ectoine
Ectoine
ME428777
-
C06231
832
-
homostachydrine*
(S)-Homostachydrine
ME428795
441447
C08283
1199
-
stachydrine
Stachydrine
ME428827
115244
C10172
860
-
1-arachidoyl-GPC (20:0)
LPC 20:0/0:0
ME428730
-
-
6100
-
1-docosahexaenoyl-GPC* (22:6)*
-
ME428731
-
-
5518
-
1-eicosatrienoyl-GPC* (20:3)*
-
ME428732
-
-
5600
-
1-heptadecanoyl-GPC (17:0)
LPC 17:0/0:0
ME428733
-
-
5750
-
1-methylguanosine
1-Methylguanosine
ME428811
96373
-
1850
-
1-myristoyl-GPC (14:0)
LPC 14:0
ME428735
460604
-
5481
-
1-oleoyl-GPC (18:1)
LPC 18:1/0:0
ME428736
16081932
-
5700
-
1-palmitoleoyl-GPC* (16:1)*
LPC 16:1/0:0
ME428737
-
-
5524
-
1-palmitoyl-GPC (16:0)
LPC 16:0/0:0
ME428738
86554
-
5671
-
1-stearoyl-GPC (18:0)
LPC 18:0/0:0
ME428739
497299
-
5844
-
2-arachidonoyl-GPC* (20:4)*
-
ME428742
-
-
5524
-
2-docosahexaenoylglycerophosphoethanolamine*
LPE 22:6
ME428743
-
-
5512
-
2-linoleoyl-GPC* (18:2)*
-
ME428744
-
-
5544
-
2-methylbutyroylcarnitine (C5)
CAR 4:0;2Me
ME428745
6426901
-
2439
-
2-palmitoyl-GPC* (16:0)*
LPC 0:0/16:0
ME428746
-
-
5604
-
2-stearoyl-GPC* (18:0)*
LPC 18:0
ME428747
10208382
-
5780
-
3-methylcrotonylglycine
3-Methylcrotonylglycine
ME428749
169485
-
2580
-
3-methylglutaroylcarnitine (C6)
CAR DC5:0;3Me
ME428750
128145
-
1900
-
butyrylcarnitine (C4)
CAR 4:0
ME428764
213144
-
2007
-
butyrylglycine (C4)
N-Butyrylglycine
ME428765
88412
-
2077
-
C-glycosyltryptophan*
C-Glycosyltryptophan
ME428766
-
-
1912
-
cysteine-glutathione disulfide
S-Glutathionyl-cysteine
ME428773
4247235
-
821
-
gamma-glutamylalanine
gamma-Glutamylalanine
ME428779
440103
-
1108
-
gamma-glutamylglutamine
gamma-Glutamylglutamine
ME428780
150914
-
806
-
gamma-glutamylisoleucine*
gamma-Glutamylisoleucine
ME428781
-
-
2644
-
gamma-glutamylleucine
gamma-Glutamylleucine
ME428782
151023
-
2744
-
gamma-glutamylmethionine
gamma-Glutamylmethionine
ME428783
7009567
-
1993
-
gamma-glutamylphenylalanine
gamma-Glutamylphenylalanine
ME428784
111299
-
2846
-
gamma-glutamyltryptophan
gamma-Glutamyltryptophan
ME428785
3038501
-
3033
-
gamma-glutamyltyrosine
gamma-Glutamyltyrosine
ME428786
94340
-
2073
-
gamma-glutamylvaline
gamma-Glutamylvaline
ME428787
-
-
2040
-
glycylvaline
Gly-Val
ME428791
-
-
1572
-
hexanoylcarnitine (C6)
CAR 6:0
ME428793
6426853
-
3174
-
hydroxyisovaleroylcarnitine (C5)
-
ME428796
-
-
1683
-
imidazole propionate
Imidazole propanoate
ME428797
70630
-
1011.7
-
isobutyrylcarnitine (C4)
CAR 3:0;2Me
ME428798
-
-
1941
-
isovalerylcarnitine (C5)
CAR 4:0;3Me
ME428800
6426851
-
2533
-
laurylcarnitine (C12)
CAR 12:0
ME428802
10427569
-
5066
-
metacryloyl glycine
-
ME428804
152645
-
1922
-
N6-carbamoylthreonyladenosine
N6-Carbamoyl-L-threonyladenosine
ME428812
-
-
2656
-
N-acetylisoleucine
N-Acetylisoleucine
ME428807
2802421
-
3370
-
N-delta-acetylornithine*
N(5)-Acetyl-ornithine
ME428809
9920500
-
836.2
-
oleoylcarnitine (C18)
CAR 18:1
ME428815
-
-
5202
-
ophthalmate
Ophthalmic acid
ME428816
9817431
-
1457
-
prolylhydroxyproline
Pro-hydroxyPro
ME428821
11673055
-
960
-
succinylcarnitine (C4)
CAR DC4:0
ME428828
-
-
1401
-
TDTEDKGEFLSEGGGV*
-
ME428829
-
-
3301
-
TDTEDKGEFLSEGGGVR*
-
ME428830
-
-
2880
-
tigloylglycine
Tiglylglycine
ME428831
6441567
-
2523
-
Analysis: LC/MS NEGATIVE ION MODE
Select
Metabolite Name
RefMet Name/Standardized Name*
WorkBenchMetabolite_ID
PubChemCompound_ID
Kegg Id
Retentiontime/index
m/z ratio
catechol sulfate
Catechol sulfate
ME428904
3083879
C00090
1928
-
histidine
Histidine
ME428929
-
C00135
757
-
3-methyl-2-oxobutyrate
Ketoisovaleric acid
ME428881
49
C00141
1489
-
thymidine
Thymidine
ME428972
5789
C00214
1935
-
arachidonate (20:4n6)
Arachidonic acid
ME428895
444899
C00219
5525
-
4-methyl-2-oxopentanoate
Ketoleucine
ME428887
70
C00233
2200
-
palmitate (16:0)
Palmitic acid
ME428952
985
C00249
5619
-
hypoxanthine
Hypoxanthine
ME428930
790
C00262
1313
-
inosine
Inosine
ME428932
-
C00294
1600
-
uridine
Uridine
ME428976
6029
C00299
1430
-
urate
Uric acid
ME428975
-
C00366
769
-
carnosine
Carnosine
ME428903
-
C00386
813
-
guanosine
Guanosine
ME428924
6802
C00387
1675
-
biliverdin
Biliverdin
ME428899
-
C00500
4671
-
2'-deoxyuridine
Deoxyuridine
ME428862
13712
C00526
1608
-
3-methyl-2-oxovalerate
3-Methyl-2-oxovaleric acid
ME428882
47
C00671
2106
-
cholate
Cholic acid
ME428905
-
C00695
5148
-
valerate (5:0)
Valeric acid
ME428977
7991
C00803
1774
-
salicylate
Salicylic acid
ME428961
338
C00805
2226
-
pyridoxate
4-Pyridoxic acid
ME428960
6723
C00847
2210
-
formononetin
Formononetin
ME428922
5280378
C00858
4441
-
N-acetylthreonine
N-Acetylthreonine
ME428945
4651717
C01118
846
-
3-methylhistidine
3-Methylhistidine
ME428883
-
C01152
911
-
4-hydroxyphenylpyruvate
4-Hydroxyphenylpyruvic acid
ME428886
979
C01179
1716
-
p-cresol sulfate
p-Cresol sulfate
ME428951
4615422
C01468
2896
-
stearate (18:0)
Stearic acid
ME428963
5281
C01530
5886
-
caprate (10:0)
Capric acid
ME428900
2969
C01571
5092
-
caproate (6:0)
Caproic acid
ME428901
8892
C01585
2766
-
hippurate
Hippuric acid
ME428928
464
C01586
2136
-
linoleate (18:2n6)
Linoleic acid
ME428937
5280450
C01595
5533
-
pelargonate (9:0)
Pelargonic acid
ME428954
5461016
C01601
4847
-
kynurenate
Kynurenic acid
ME428935
3845
C01717
2243
-
pseudouridine
Pseudouridine
ME428959
-
C02067
1104
-
phenol sulfate
Phenyl hydrogen sulfate
ME428955
74426
C02180
2150
-
dodecanedioate (C12)
Dodecanedioic acid
ME428915
12736
C02678
2990
-
laurate (12:0)
Lauric acid
ME428936
3893
C02679
5288
-
N-acetylmethionine
N-Acetylmethionine
ME428943
448580
C02712
1805
-
2-hydroxystearate
2-Hydroxystearic acid
ME428870
69417
C03045
5705
-
N-acetyltryptophan
N-Acetyl-tryptophan
ME428946
700653
C03137
2650
-
N-formylmethionine
N-Formylmethionine
ME428948
439750
C03145
1541
-
dihomolinolenate (20:3n3 or 3n6)
Eicosatrienoic acid
ME428910
5312529
C03242
5600
-
alpha-hydroxyisocaproate
2-Hydroxyisocaproic acid
ME428894
83697
C03264
1854
-
N-acetylphenylalanine
N-Acetylphenylalanine
ME428944
74839
C03519
2590
-
3-(4-hydroxyphenyl)lactate (HPLA)
4-Hydroxyphenyllactic acid
ME428875
9378
C03672
1395
-
deoxycholate
Deoxycholic acid
ME428908
440355
C04483
5268
-
taurocholate
Taurocholic acid
ME428968
-
C05122
5122
-
taurodeoxycholate
Taurodeoxycholic acid
ME428969
2733768
C05463
5243
-
taurochenodeoxycholate
Taurochenodeoxycholic acid
ME428967
387316
C05465
5218
-
phenylacetylglycine
Phenylacetylglycine
ME428956
68144
C05598
2377
-
phenyllactate (PLA)
Phenyllactic acid
ME428957
3848
C05607
2237
-
4-vinylphenol sulfate
4-Hydroxystyrene
ME428889
6426766
C05627
3323
-
3-phenylpropionate (hydrocinnamate)
Hydrocinnamic acid
ME428884
-
C05629
2830
-
caprylate (8:0)
Caprylic acid
ME428902
379
C06423
4367
-
myristate (14:0)
Myristic acid
ME428941
11005
C06424
5439
-
linolenate (18:3n3 or 3n6)
Octadecatrienoic acid
ME428938
-
C06427
5450
-
eicosapentaenoate (EPA; 20:5n3)
EPA
ME428917
446284
C06428
5442
-
docosahexaenoate (DHA; 22:6n3)
DHA
ME428912
445580
C06429
5518
-
genistein
Genistein
ME428923
5280961
C06563
3745
-
azelate (nonanedioate; C9)
Azelaic acid
ME428896
2266
C08261
1322
-
isovalerate (C5)
Isovaleric acid
ME428933
10430
C08262
1623
-
sebacate (decanedioate)
Sebacic acid
ME428962
5192
C08277
1778
-
suberate (octanedioate)
Suberic acid
ME428965
10457
C08278
831
-
erucate (22:1n9)
cis-Erucic acid
ME428921
8216
C08316
6273.3
-
myristoleate (14:1n5)
Myristoleic acid
ME428942
5281119
C08322
5338
-
palmitoleate (16:1n7)
Palmitoleic acid
ME428953
445638
C08362
5477
-
daidzein
Daidzein
ME428907
5281708
C10208
3541
-
4-ethylphenyl sulfate
4-Ethylphenol
ME428885
-
C13637
3570
-
3-ethylphenylsulfate*
-
ME428876
-
C14386
3490
-
9,10-hydroxyoctadec-12(Z)-enoic acid
9,10-DiHOME
ME428892
9966640
C14828
5177
-
12,13-hydroxyoctadec-9(Z)-enoate
12,13-DiHOME
ME428855
10236635
C14829
5137
-
stearidonate (18:4n3)
Stearidonic acid
ME428964
5312508
C16300
5381
-
docosapentaenoate (DPA; 22:5n3)
DPA
ME428913
-
C16513
5574
-
docosapentaenoate (n6 DPA; 22:5n6)
Docosapentaenoic acid (22n-6)
ME428914
6441454
C16513
5625
-
dihomolinoleate (20:2n6)
11Z,14Z-Eicosadienoic acid
ME428909
6439848
C16525
5722
-
adrenate (22:4n6)
Adrenic acid
ME428893
5282844
C16527
5684
-
docosadienoate (22:2n6)
13Z,16Z-Docosadienoic acid
ME428911
5282807
C16533
6017
-
nonadecanoate (19:0)
Nonadecylic acid
ME428949
12591
C16535
6073
-
7-HOCA
7alpha-Hydroxy-3-oxo-4-cholestenoic acid
ME428890
3081085
C17337
5268
-
heptanoate (7:0)
Heptylic acid
ME428925
8094
C17714
3695
-
beta-muricholate
beta-Muricholic acid
ME428897
3083762
C17726
4787
-
10-heptadecenoate (17:1n7)
10Z-Heptadecenoic acid
ME428852
5312435
-
5558
-
10-nonadecenoate (19:1n9)
Nonadeca-10Z-enoic acid
ME428853
5312513
-
5775
-
10-undecenoate (11:1n1)
10-Hendecenoic acid
ME428854
-
-
5086
-
1,11-undecanedicarboxylate
Tridecanedioic acid
ME428837
10458
-
3578
-
12-HEPE
12-HEPE
ME428856
10041593
-
5236
-
12-HETE
12-HETE
ME428857
-
-
5295
-
13-HODE + 9-HODE
HODE
ME428858
-
-
5270
-
17,18-dihydroxy-5Z,8Z,11Z,14Z-eicosatetraenoate
17,18-DiHETE
ME428860
16061120
-
5104.1
-
17-methylstearate
Xi-17-Methyloctadecanoic acid
ME428861
3083779
-
5987
-
1-arachidonoyl-GPE* (20:4)*
LPE 20:4/0:0
ME428838
-
-
5731
-
1-arachidonoyl-GPI* (20:4)*
LPI 20:4/0:0
ME428839
-
-
5479
-
1-linoleoylglycerol (18:2)
MG 18:2
ME428840
5283469
-
6226
-
1-linoleoyl-GPE (18:2)*
LPE 18:2/0:0
ME428841
-
-
5725
-
1-linoleoyl-GPI* (18:2)*
LPI 18:2/0:0
ME428842
-
-
5487
-
1-oleoyl-GPE (18:1)
LPE 18:1/0:0
ME428843
9547071
-
5928
-
1-oleoyl-GPI (18:1)*
LPI 18:1/0:0
ME428844
-
-
5577
-
1-palmitoleoylglycerophosphoethanolamine*
LPE 16:1
ME428845
-
-
5661
-
1-palmitoylglycerol (16:0)
MG 16:0/0:0/0:0
ME428846
14900
-
6250
-
1-palmitoyl-GPE (16:0)
LPE 16:0/0:0
ME428847
9547069
-
5940
-
1-palmitoyl-GPI* (16:0)*
LPI 16:0/0:0
ME428848
-
-
5573
-
1-palmitoylplasmenylethanolamine*
LPE P-16:0 or LPE O-16:1
ME428849
-
-
6153
-
1-stearoyl-GPE (18:0)
LPE 18:0/0:0
ME428850
9547068
-
6200
-
1-stearoyl-GPI (18:0)
LPI 18:0/0:0
ME428851
-
-
5800
-
2-aminophenol sulfate
2-Aminophenyl sulfate
ME428863
181670
-
1670.8
-
2-arachidonoyl-GPE* (20:4)*
-
ME428864
-
-
5674
-
2-ethylhexanoate (isobar with 2-propylpentanoate)
-
ME428865
-
-
3909
-
2-hydroxy-3-methylvalerate
2-Hydroxy-3-methyl-pentanoic acid
ME428866
164623
-
1787
-
2-hydroxydecanoic acid
2-Hydroxycapric acid
ME428867
21488
-
4826
-
2-hydroxyoctanoate
2-Hydroxyoctanoic acid
ME428868
94180
-
3781
-
2-hydroxypalmitate
2-Hydroxypalmitic acid
ME428869
92836
-
5508
-
2-linoleoyl-GPE* (18:2)*
-
ME428871
-
-
5650
-
2-oleoyl-GPC* (18:1)*
-
ME428872
-
-
6000
-
2-oleoyl-GPE* (18:1)*
-
ME428873
-
-
5848
-
2-palmitoyl-GPE* (16:0)*
-
ME428874
-
-
5790
-
3-hydroxydecanoate
3-Hydroxydecanoic acid
ME428877
26612
-
4681
-
3-hydroxyoctanoate
3-Hydroxyoctanoic acid
ME428878
26613
-
3463
-
3-indoxyl sulfate
Indoxyl sulfate
ME428879
10258
-
2258
-
3-methyl catechol sulfate 1
-
ME428880
-
-
2779.2
-
4-methylcatechol sulfate
-
ME428888
-
-
2666.4
-
8-hydroxyoctanoate
8-Hydroxyoctanoic acid
ME428891
69820
-
2323
-
bilirubin (E,E)*
Bilirubin
ME428898
5315454
-
4242
-
cinnamoylglycine
Cinnamoylglycine
ME428906
709625
-
3139
-
eicosanodioate
Eicosanedioic acid
ME428916
75502
-
5199.1
-
eicosenoate (20:1n9 or 1n11)
cis-Gondoic acid
ME428918
-
-
5955
-
equol glucuronide
-
ME428919
-
-
3195
-
equol sulfate
-
ME428920
-
-
3625
-
hexadecanedioate (C16)
Hexadecanedioic acid
ME428926
10459
-
4650
-
hexanoylglycine (C6)
Hexanoylglycine
ME428927
99463
-
2918
-
indolepropionate
3-Indolepropionic acid
ME428931
3744
-
2795
-
isovalerylglycine
Isovalerylglycine
ME428934
546304
-
1961
-
margarate (17:0)
Margaric acid
ME428939
10465
-
5733
-
methyl-beta-glucopyranoside
-
ME428940
2108
-
1083
-
methylpalmitate (15 or 2)
-
ME428859
-
-
5698
-
N-acetyltyrosine
N-Acetyltyrosine
ME428947
68310
-
1677
-
octadecanedioate (C18)
Octadecanedioic acid
ME428950
70095
-
5033
-
phenylpropionylglycine
Phenylpropionylglycine
ME428958
152323
-
2981
-
tauro(alpha + beta)muricholate
Tauromuricholic acid
ME428966
-
-
4743.7
-
tauroursodeoxycholate
Tauroursodeoxycholic acid
ME428970
-
-
5002.6
-
tetradecanedioate (C14)
Tetradecanedioic acid
ME428971
13185
-
3970
-
undecanedioate
Undecanedioic acid
ME428973
15816
-
2376
-
undecanoate (11:0)
Undecylic acid
ME428974
8180
-
5207
-
valerylglycine (C5)
Valerylglycine
ME428978
4737557
-
2117
-
UCSD Metabolomics Workbench, a resource sponsored by the Common Fund of the National Institutes of Health
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