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Return to study ST000539 main page
Analysis: HILIC POSITIVE ION MODE
Select
Metabolite Name
RefMet Name/Standardized Name*
WorkBenchMetabolite_ID
PubChemCompound_ID
Kegg Id
Retentiontime/index
m/z ratio
ATP
ATP
ME158660
-
C00002
16.25996828
-
NAD+
NAD+
ME158664
-
C00003
13.63068867
-
NADP+
NADP+
ME158668
-
C00006
16.43895711
-
UDP
UDP
ME158762
-
C00015
16.08096802
-
S-Adenosyl-L-methionine
S-Adenosylmethionine
ME158747
-
C00019
16.51303136
-
AMP
AMP
ME158694
-
C00020
13.47856972
-
S-Adenosyl-L-homocysteine
S-Adenosylhomocysteine
ME158696
-
C00021
13.47281389
-
L-Glutamate
Glutamic acid
ME158665
-
C00025
14.37138765
-
GDP
GDP
ME158709
-
C00035
17.66519939
-
L-Alanine
Alanine
ME158669
-
C00041
14.60427454
-
GTP
GTP
ME158698
-
C00044
19.07566652
-
L-Lysine
Lysine
ME158663
-
C00047
22.86952234
-
CMP
CMP
ME158798
-
C00055
14.98462653
-
L-Arginine
Arginine
ME158662
-
C00062
24.14975721
-
CTP
CTP
ME158796
-
C00063
18.14905303
-
L-Glutamine
Glutamine
ME158661
-
C00064
14.89463111
-
L-Serine
Serine
ME158679
-
C00065
15.66954309
-
L-Methionine
Methionine
ME158690
-
C00073
11.5029712
-
L-Ornithine
Ornithine
ME158681
-
C00077
22.19392526
-
L-Tryptophan
Tryptophan
ME158758
-
C00078
11.59441916
-
L-Phenylalanine
Phenylalanine
ME158691
-
C00079
10.16919198
-
L-Tyrosine
Tyrosine
ME158672
-
C00082
12.98096692
-
Anthranilate
2-Aminobenzoic acid
ME159080
-
C00108
11.68164868
-
Choline
Choline
ME158686
-
C00114
20.73626629
-
L-Leucine
Leucine
ME158683
-
C00123
11.2279198
-
Glutathione disulfide
Oxidized glutathione
ME158721
-
C00127
17.10050793
-
L-Histidine
Histidine
ME158671
-
C00135
14.64125357
-
Adenine
Adenine
ME158692
-
C00147
9.334870314
-
L-Proline
Proline
ME158674
-
C00148
12.70588045
-
L-Asparagine
Asparagine
ME158667
-
C00152
15.182524
-
Nicotinamide
Niacinamide
ME158678
-
C00153
7.463728325
-
[PC (14:0/18:1)] 1-tetradecanoyl-2-(11Z-octadeceno...
PC 14:0_18:1
ME159027
-
C00157
4.001698859
-
[PC (14:0/18:2)] 1-tetradecanoyl-2-(9Z,12Z-octadec...
PC 14:0_18:2
ME159004
-
C00157
4.017020218
-
PC(14:1(9Z)/15:0)
PC 14:1(9Z)/15:0*
ME158712
-
C00157
3.60061597
-
[PC (15:0/15:0)] 1,2-dipentadecanoyl-sn-glycero-3-...
PC 15:0/15:0
ME159030
-
C00157
4.032305836
-
[PC (16:0/16:0)] 1-hexadecanoyl-2-hexadecanoyl-sn-...
PC 16:0/16:0
ME159043
-
C00157
3.997990956
-
[PC (16:0/18:1)] 1-hexadecanoyl-2-(11Z-octadecenoy...
PC 16:0_18:1
ME158749
-
C00157
3.972996458
-
[PC (16:0/18:2)] 1-hexadecanoyl-2-(9Z,12Z-octadeca...
PC 16:0_18:2
ME158737
-
C00157
3.978891521
-
[PC (16:0/18:3)] 1-hexadecanoyl-2-(9Z,12Z,15Z-octa...
PC 16:0_18:3
ME159012
-
C00157
3.9921202
-
[PC (16:0/20:4)] 1-hexadecanoyl-2-(5Z,8Z,11Z,14Z-e...
PC 16:0_20:4
ME159010
-
C00157
3.951586287
-
[PC (16:0/22:6)] 1-hexadecanoyl-2-(4Z,7Z,10Z,13Z,1...
PC 16:0_22:6
ME159019
-
C00157
3.937276547
-
PC(16:0/P-18:1(11Z))
-
ME159033
-
C00157
3.96069887
-
[PC (18:0/22:4)] 1-octadecanoyl-2-(7Z,10Z,13Z,16Z-...
PC 18:0_22:4
ME159044
-
C00157
3.896356359
-
[PC (18:0/22:5)] 1-octadecanoyl-2-(4Z,7Z,10Z,13Z,1...
PC 18:0_22:5
ME159042
-
C00157
3.899875839
-
PC(18:0/P-18:1(11Z))
-
ME159049
-
C00157
3.949931773
-
[PC (18:1/18:1)] 1-(9Z-octadecenoyl)-2-(9Z-octadec...
PC 18:1/18:1
ME159025
-
C00157
3.94469576
-
[PC (18:1/20:3)] 1-(9Z-octadecenoyl)-2-(5Z,8Z,11Z-...
PC 18:1_20:3
ME158725
-
C00157
3.911674426
-
[PC (18:1/22:5)] 1-(11Z-octadecenoyl)-2-(7Z,10Z,13...
-
ME158730
-
C00157
3.905793792
-
PC(22:2(13Z,16Z)/P-18:1(11Z))
-
ME159016
-
C00157
3.888816468
-
PC(22:4(7Z,10Z,13Z,16Z)/P-18:0)
-
ME159002
-
C00157
3.898200847
-
PC(22:4(7Z,10Z,13Z,16Z)/P-18:1(11Z))
-
ME159029
-
C00157
3.898521376
-
5-Methylthioadenosine
5'-Methylthioadenosine
ME158693
-
C00170
7.432928142
-
L-Valine
Valine
ME158731
-
C00183
12.40294661
-
[SP (16:0)] N-(hexadecanoyl)-sphing-4-enine
Cer 18:1;O2/16:0
ME159024
-
C00195
3.822594544
-
Lactosamine
Lactosamine
ME158784
-
C00203
15.94079514
-
Maltose
Maltose
ME158797
-
C00208
16.1642471
-
Acetyl phosphate
Acetylphosphate
ME158707
-
C00227
16.61650169
-
Pyridoxal
Pyridoxal
ME158680
-
C00250
8.012744633
-
Riboflavin
Riboflavin
ME158768
-
C00255
8.525091535
-
Hypoxanthine
Hypoxanthine
ME158695
-
C00262
10.01789696
-
Creatine
Creatine
ME158741
-
C00300
14.50209157
-
CDP-choline
CDP-choline
ME158752
-
C00307
15.05159702
-
Pyridoxine
Pyridoxine
ME158670
-
C00314
8.047185851
-
L-Citrulline
Citrulline
ME158689
-
C00327
15.76207046
-
L-Kynurenine
Kynurenine
ME158697
-
C00328
10.83178908
-
4-Aminobutanoate
gamma-Aminobutyric acid
ME158675
-
C00334
15.6304563
-
[PE (16:0/16:0)] 1,2-dihexadecanoyl-sn-glycero-3-p...
PE 16:0/16:0
ME159046
-
C00350
3.614187643
-
[PE (16:0/18:2)] 1-hexadecanoyl-2-(9Z,12Z-octadeca...
PE 16:0_18:2
ME159000
-
C00350
3.817334207
-
[PE (16:0/18:3)] 1-hexadecanoyl-2-(9Z,12Z,15Z-octa...
-
ME159015
-
C00350
3.591685799
-
[PE (16:0/20:4)] 1-hexadecanoyl-2-(5Z,8Z,11Z,14Z-e...
PE 16:0_20:4
ME159008
-
C00350
3.882570227
-
[PE (16:0/22:6)] 1-hexadecanoyl-2-(4Z,7Z,10Z,13Z,1...
PE 16:0_22:6
ME159032
-
C00350
3.866487709
-
[PE (18:1/20:4)] 1-(1Z-octadecenyl)-2-(5Z,8Z,11Z,1...
PE O-18:2/20:4
ME158713
-
C00350
3.840738424
-
PE(18:3(6Z,9Z,12Z)/P-18:1(11Z))
-
ME159017
-
C00350
3.866858262
-
PE(20:4(5Z,8Z,11Z,14Z)/P-18:1(11Z))
-
ME159023
-
C00350
3.84509383
-
PE(22:4(7Z,10Z,13Z,16Z)/P-18:1(11Z))
-
ME159011
-
C00350
3.838307102
-
D-Glucosamine 6-phosphate
Glucosamine 6-phosphate
ME158793
-
C00352
16.79879342
-
Thiamin
Thiamine
ME158666
-
C00378
21.39037499
-
Carnosine
Carnosine
ME159067
-
C00386
15.59267734
-
L-Pipecolate
Pipecolic acid
ME158740
-
C00408
12.29039533
-
L-Pipecolate 2
Pipecolic acid
ME159036
-
C00408
21.65990505
-
N-Acetylornithine
N-Acetylornithine
ME158688
-
C00437
15.50939203
-
N-Carbamoyl-L-aspartate
Carbamoylaspartate
ME158739
-
C00438
16.50557596
-
N-Formimino-L-glutamate
Formiminoglutamic acid
ME159022
-
C00439
13.58382444
-
2,3,4,5-Tetrahydropyridine-2-carboxylate
(S)-1-Piperideine-6-carboxylic acid
ME158761
-
C00450
8.099210099
-
Indole
Indole
ME159039
-
C00463
11.59091441
-
Indole 2
Indole
ME159047
-
C00463
10.13992584
-
Lichenin
Lichenin
ME159154
-
C00478
25.33369157
-
L-Carnitine
Carnitine
ME158676
-
C00487
13.1459692
-
Folate
Folic acid
ME158703
-
C00504
16.34108188
-
Pyridoxamine
Pyridoxamine
ME158745
-
C00534
11.74885118
-
SM(d18:0/24:1(15Z)(OH))
SM 18:0;O2/24:1;O
ME159028
-
C00550
4.150618963
-
SM(d18:1/18:0)
SM 18:1;O2/18:0
ME159014
-
C00550
7.157334309
-
SM(d18:1/18:1(9Z))
SM 18:1;O2/18:1(9Z)
ME159001
-
C00550
4.180522037
-
SM(d18:1/22:0)
SM 18:1;O2/22:0
ME159038
-
C00550
4.09373842
-
SM(d18:1/22:1(13Z))
SM 18:1;O2/22:1(13Z)
ME158765
-
C00550
6.894623018
-
SM(d18:1/24:1(15Z))
SM 18:1;O2/24:1(15Z)
ME158714
-
C00550
4.083980509
-
4-Aminobutanal
4-Aminobutyraldehyde
ME159009
-
C00555
10.50862175
-
CDP-ethanolamine
CDP-Ethanolamine
ME159070
-
C00570
16.03755007
-
Betaine aldehyde
Betaine aldehyde
ME159037
-
C00576
10.99788646
-
Guanidinoacetate
Guanidoacetic acid
ME159052
-
C00581
15.64788827
-
Choline phosphate
Choline phosphate
ME158767
-
C00588
14.60087019
-
N-Acetyl-L-glutamate
N-Acetylglutamic acid
ME158687
-
C00624
13.84165579
-
sn-glycero-3-Phosphocholine
sn-Glycero-3-phosphocholine
ME158682
-
C00670
14.30695632
-
Betaine
Betaine
ME158677
-
C00719
11.18814252
-
Urocanate
Urocanic acid
ME158789
-
C00785
7.232823886
-
CDP-ribitol
CDP-ribitol
ME159071
-
C00789
16.33922933
-
Creatinine
Creatinine
ME158684
-
C00791
9.634414829
-
5,6-Dihydrothymine
Dihydrothymine
ME158759
-
C00906
14.60581917
-
5,6-Dihydrothymine 2
Dihydrothymine
ME158783
-
C00906
8.917316456
-
2,3-Dimethylmaleate
Dimethyl maleate
ME158999
-
C00922
14.72623502
-
5-Aminopentanamide
5-Aminopentanamide
ME158726
-
C00990
22.71002497
-
O-Phospho-L-serine
Phosphoserine
ME158792
-
C01005
16.09389427
-
N,N-Dimethylglycine
Dimethylglycine
ME159050
-
C01026
13.6547054
-
N6-Hydroxy-L-lysine
N(6)-Hydroxy-lysine
ME159077
-
C01028
13.51597688
-
O-Succinyl-L-homoserine
o-Succinylhomoserine
ME158774
-
C01118
15.26521722
-
O-Succinyl-L-homoserine 2
o-Succinylhomoserine
ME158785
-
C01118
14.11319766
-
[SP] Sphinganine-1-phosphate
Sphinganine 1-phosphate
ME159072
-
C01120
7.429138335
-
N(pi)-Methyl-L-histidine
3-Methylhistidine
ME158734
-
C01152
12.90369608
-
4-Trimethylammoniobutanoate
3-Dehydroxycarnitine
ME158756
-
C01181
13.2100503
-
Methyl 2-diazoacetamidohexonate
Methyl 2-diazoacetamidohexonate
ME158882
-
C01223
14.02456709
-
12-OPDA
-
ME159061
-
C01226
3.804087629
-
sn-glycero-3-Phosphoethanolamine
sn-Glycero-3-phosphoethanolamine
ME158776
-
C01233
15.32512143
-
3-Hydroxy-N6,N6,N6-trimethyl-L-lysine
3-Hydroxy-N6,N6,N6-trimethyl-lysine
ME158720
-
C01259
20.4179445
-
Boc-Asn
-
ME159100
-
C01410
7.611412013
-
Tyr-OEt
Ethyl tyrosinate
ME159215
-
C01458
4.400311185
-
Casein K
-
ME158830
-
C01483
12.53274697
-
Casein K 2
-
ME158960
-
C01483
7.694574355
-
Ricinine
Ricinine
ME159133
-
C01526
7.669951617
-
Urethane
Ethyl carbamate
ME158812
-
C01537
7.479244482
-
Urethane 2
Ethyl carbamate
ME159113
-
C01537
8.545009507
-
Linamarin
Linamarin
ME158722
-
C01594
12.893081
-
Ac-Tyr-OEt
N-Acetyltyrosine
ME159119
-
C01657
4.419043264
-
Octylamine
Octylamine
ME158964
-
C01740
15.14426246
-
Piperidine
Piperidine
ME158724
-
C01746
14.66099066
-
Homocystine
Homocystine
ME158794
-
C01817
14.13388955
-
Indoleamine
-
ME158904
-
C01819
7.280128071
-
Biotin amide
Biotin amide
ME158769
-
C01893
10.39891103
-
Dethiobiotin
Dethiobiotin
ME159051
-
C01909
11.89741616
-
Homoarginine
Homoarginine
ME158862
-
C01924
23.17226273
-
Picolinamide
Picolinamide
ME159157
-
C01950
13.70104079
-
Acetylcholine
Acetylcholine
ME158780
-
C01996
15.80559804
-
Benzimidazole
1H-Benzimidazole
ME159230
-
C02009
7.467142975
-
Acetylagmatine
Acetylagmatine
ME159236
-
C02131
17.25695311
-
Protoporphyrin
Protoporphyrin
ME158790
-
C02191
7.197971172
-
2-Methylcholine
2-Methylcholine
ME158951
-
C02224
17.81285557
-
D-Galactosamine
Galactosamine
ME158716
-
C02262
26.19303807
-
D-Galactosamine 2
Galactosamine
ME158771
-
C02262
11.24388949
-
N-Acetylindoxyl
N-Acetylindoxyl
ME159020
-
C02298
4.261037003
-
Phosphocreatine
Phosphocreatine
ME158673
-
C02305
14.82728228
-
5-Methylcytosine
5-Methylcytosine
ME158766
-
C02376
9.513730165
-
L-Homocitrulline
Homocitrulline
ME158894
-
C02427
15.03719952
-
L-Homocitrulline 2
Homocitrulline
ME159183
-
C02427
16.94304807
-
N-Ethylmaleimide
N-Ethylmaleimide
ME158987
-
C02441
4.415407955
-
N-Ethylmaleimide 2
N-Ethylmaleimide
ME159172
-
C02441
12.07381678
-
Perillyl alcohol
Perillyl alcohol
ME159107
-
C02452
4.135698672
-
[ST (20:5)] cholest-5-en-3beta-yl (5Z,8Z,11Z,14Z,1...
CE 10:0
ME158992
-
C02530
3.791014474
-
O-Acetylcarnitine
CAR 2:0
ME158753
-
C02571
10.92948221
-
O-Acetylcarnitine 2
CAR 2:0
ME159062
-
C02571
9.859313232
-
4-Guanidinobutanal
4-Guanidinobutanal
ME159040
-
C02647
27.74677821
-
Acetone cyanohydrin
2-Hydroxy-2-methylpropanenitrile
ME159005
-
C02659
15.27658548
-
Indole-3-acetamide
1H-Indole-3-acetamide
ME159066
-
C02693
7.421902425
-
N-Acetylputrescine
N-Acetylputrescine
ME159013
-
C02714
19.83686877
-
N6-Acetyl-L-lysine
N6-Acetyllysine
ME158782
-
C02727
12.50665285
-
N6-Methyl-L-lysine
N(6)-Methyllysine
ME158869
-
C02728
22.37439395
-
PS(18:0/18:1(9Z))
PS 18:0/18:1(9Z)
ME159063
-
C02737
4.005804927
-
[PS (18:0/20:4)] 1-octadecanoyl-2-(5Z,8Z,11Z,14Z-e...
PS 18:0_20:4
ME158715
-
C02737
3.639026775
-
PS(18:0/22:5(7Z,10Z,13Z,16Z,19Z))
PS 18:0/22:5(7Z,10Z,13Z,16Z,19Z)*
ME158998
-
C02737
3.627812011
-
3-Methyleneoxindole
3-Methyleneoxindole
ME159195
-
C02796
7.457873634
-
Imidazole-4-acetate
Imidazoleacetic acid
ME158779
-
C02835
11.478247
-
L-Lysine 1,6-lactam
L-2-aminohexano-6-lactam
ME158843
-
C02837
13.71148231
-
N-Ethylglycocyamine
N-Ethylglycocyamine
ME158962
-
C02852
13.42530117
-
O-Butanoylcarnitine
CAR 4:0
ME158907
-
C02862
8.720522547
-
1-Methylnicotinamide
1-Methyl nicotinamide
ME158757
-
C02918
24.49098027
-
2-Aminobutan-4-olide
Homoserine lactone
ME159143
-
C02926
8.156133849
-
[SP] 3-dehydrosphinganine
3-Ketosphinganine
ME158746
-
C02934
7.042811817
-
L-Methionine S-oxide
Methionine sulfoxide
ME158781
-
C02989
13.3608234
-
[FA] O-Palmitoyl-R-carnitine
CAR 16:0
ME158775
-
C02990
4.553700774
-
L-Tyrosyl-L-arginine
Tyr-Arg
ME159246
-
C02993
14.07324496
-
O-Propanoylcarnitine
CAR 3:0
ME158920
-
C03017
9.715375256
-
Phosphonoacetaldehyde
Phosphonoacetaldehyde
ME159057
-
C03167
14.49328812
-
S-Succinylglutathione
S-Succinylglutathione
ME158935
-
C03174
15.90419508
-
3-Hydroxy-L-kynurenine
Hydroxykynurenine
ME159064
-
C03227
13.74068843
-
N2-Succinyl-L-arginine
N2-Succinoylarginine
ME158990
-
C03296
12.88011427
-
Erythrulose 1-phosphate
-
ME159093
-
C03394
12.56614852
-
N2-Succinyl-L-ornithine
N2-Succinylornithine
ME159048
-
C03415
13.52491118
-
N6,N6-Dimethyladenosine
N(6),N(6)-Dimethyladenosine
ME158986
-
C03416
9.535799154
-
O-Acetylneuraminic acid
-
ME158838
-
C03525
14.52954802
-
NG,NG-Dimethyl-L-arginine
Dimethylarginine
ME158733
-
C03626
21.56976556
-
3-(ADP)-2-phosphoglycerate
-
ME159084
-
C03673
17.50491396
-
4-Imidazolone-5-propanoate
4-Imidazolone-5-propionic acid
ME159056
-
C03680
10.98345222
-
Bis(2-ethylhexyl)phthalate
Bis(2-ethylhexyl)phthalate
ME158814
-
C03690
3.859414172
-
N-Benzyloxycarbonylglycine
N-Benzyloxycarbonylglycine
ME159166
-
C03710
4.823326831
-
5-Guanidino-2-oxopentanoate
2-Oxoarginine
ME159041
-
C03771
14.08402968
-
N6,N6,N6-Trimethyl-L-lysine
N-6-Trimethyllysine
ME158763
-
C03793
21.68670054
-
Bis(glycerophospho)-glycerol
-
ME158975
-
C03853
15.108523
-
L-2-Amino-6-oxoheptanedioate
-
ME158778
-
C03871
17.01858411
-
Thiomorpholine 3-carboxylate
Thiomorpholine-3-carboxylic acid
ME158949
-
C03901
13.2486113
-
Thiomorpholine 3-carboxylate 2
Thiomorpholine-3-carboxylic acid
ME158969
-
C03901
14.66267427
-
N6-Acetyl-N6-hydroxy-L-lysine
N(6)-Acetyl-N(6)-hydroxy-lysine
ME158755
-
C03955
10.92368272
-
N6-Acetyl-N6-hydroxy-L-lysine 2
N(6)-Acetyl-N(6)-hydroxy-lysine
ME159073
-
C03955
8.457177429
-
2,3,4,5-Tetrahydrodipicolinate
-
ME159068
-
C03972
16.4942098
-
2-Dehydro-3-deoxy-L-rhamnonate
-
ME158994
-
C03979
14.52076092
-
N2-(D-1-Carboxyethyl)-L-lysine
D-Lysopine
ME158732
-
C04020
17.19901558
-
5,8,13,13a-Tetrahydrocolumbamine
(S)-Tetrahydrocolumbamine
ME159201
-
C04118
9.913918997
-
N2-(D-1-Carboxyethyl)-L-arginine
D-Octopine
ME159034
-
C04137
17.20118926
-
N-(2,3-Dihydroxybenzoyl)-L-serine
N-(2,3-Dihydroxybenzoyl)-L-serine
ME158989
-
C04204
13.18266844
-
N5-(L-1-Carboxyethyl)-L-ornithine
N(6)-Acetyl-N(6)-hydroxy-lysine
ME159194
-
C04210
17.16224991
-
LysoPC(17:0)
LPC 17:0
ME159006
-
C04230
4.569921884
-
LysoPC(18:0)
LPC 18:0
ME158711
-
C04230
4.51580736
-
LysoPC(18:1(9Z))
LPC 18:1(9Z)
ME159021
-
C04230
4.551434619
-
LysoPC(20:1(11Z))
LPC 20:1(11Z)
ME158710
-
C04230
4.454942257
-
LysoPC(20:4(5Z,8Z,11Z,14Z))
LPC 20:4(5Z,8Z,11Z,14Z)*
ME159007
-
C04230
4.524008355
-
LysoPC(22:4(7Z,10Z,13Z,16Z))
LPC 22:4(7Z,10Z,13Z,16Z)
ME158995
-
C04230
4.415924999
-
[PC (14:0)] 1-tetradecanoyl-sn-glycero-3-phosphoch...
LPC 14:0
ME158742
-
C04230
4.764289261
-
[PC (15:0)] 1-pentadecanoyl-sn-glycero-3-phosphoch...
LPC 15:0
ME159060
-
C04230
7.391431522
-
[PC (16:0)] 1-hexadecanoyl-sn-glycero-3-phosphocho...
LPC 16:0
ME158717
-
C04230
4.635113258
-
[PC (16:1)] 1-(1Z-hexadecenyl)-sn-glycero-3-phosph...
LPC P-16:0 or LPC O-16:1
ME159018
-
C04230
4.575203007
-
[PC (18:2)] 1-(9Z,12Z-octadecadienoyl)-sn-glycero-...
LPC 18:2
ME158727
-
C04230
4.588762441
-
[PC (22:6)] 1-(4Z,7Z,10Z,13Z,16Z,19Z-docosahexaeno...
LPC 22:6
ME158993
-
C04230
4.471620493
-
L-1-Pyrroline-3-hydroxy-5-carboxylate
-
ME158743
-
C04281
10.05883507
-
L-1-Pyrroline-3-hydroxy-5-carboxylate 2
-
ME158997
-
C04281
12.44371591
-
D-myo-Inositol 1,2-cyclic phosphate
Inositol cyclic phosphate
ME158736
-
C04299
15.76687148
-
LysoPC(O-18:0)
LPC O-18:0
ME159026
-
C04317
4.568751444
-
(Z)-4-Hydroxyphenylacetaldehyde-oxime
-
ME158751
-
C04353
6.120559584
-
3,4-Dehydrothiomorpholine-3-carboxylate
-
ME158819
-
C04445
7.592320405
-
3,4-Dehydrothiomorpholine-3-carboxylate 2
-
ME158831
-
C04445
5.544719138
-
S-Butyl-DL-homocysteine-[S,R]-sulfoximine
-
ME159217
-
C04543
8.868814189
-
[FA oxo(5:1/5:0/8:0)] (1S,2S)-3-oxo-2-(2Z-pentenyl...
-
ME159059
-
C04780
3.83547755
-
(+/-)-5-[(tert-Butylamino)-2-hydroxypropoxy]-1,2,3...
-
ME158956
-
C04875
3.983812862
-
(+/-)-5-[(tert-Butylamino)-2-hydroxypropoxy]-3,4-d...
-
ME159222
-
C04883
3.85478286
-
L-Glutamate methylester
-
ME159214
-
C05016
7.472194663
-
[ST (3:0)] cholest-5Z,7Z,24-trien-3beta-ol
7-Dehydro-desmosterol
ME159065
-
C05107
3.881919672
-
Imidazole-4-acetaldehyde
Imidazole-4-acetaldehyde
ME159003
-
C05130
14.81178269
-
D-2-Amino-hexano-6-lactam
Undecylprodigiosin
ME158805
-
C05328
12.10249315
-
beta-Alanyl-L-arginine
beta-Alanyl-L-arginine
ME158706
-
C05340
16.4730759
-
3-beta-D-Galactosyl-sn-glycerol
Galactosylglycerol
ME159053
-
C05401
13.60705711
-
[ST (2:0)] 5alpha-cholesta-8,24-dien-3beta-ol
Zymosterol
ME159058
-
C05437
4.946189519
-
7alpha-Hydroxycholest-4-en-3-one
7alpha-Hydroxy-4-cholesten-3-one
ME158787
-
C05455
4.843321919
-
Ne,Ne dimethyllysine
N(6),N(6)-Dimethyl-lysine
ME158738
-
C05545
21.4586391
-
6-Acetamido-2-oxohexanoate
2-Keto-6-acetamidocaproic acid
ME158788
-
C05548
11.54054239
-
Imidazole lactate
Imidazolelactic acid
ME158750
-
C05568
9.525950011
-
Ergothioneine
Ergothioneine
ME158748
-
C05570
14.74249843
-
Hercynine
Hercynine
ME158735
-
C05575
13.4501465
-
Hercynine 2
Hercynine
ME159055
-
C05575
12.15263601
-
4-Hydroxycinnamyl aldehyde
(E)-3-(4-Hydroxyphenyl)-2-propenal
ME158699
-
C05608
4.140772021
-
4,6-Dihydroxyquinoline
4,6-Dihydroxyquinoline
ME158791
-
C05639
8.485656592
-
CMP-2-aminoethylphosphonate
CMPciliatine
ME159035
-
C05673
14.98234833
-
CMP-N-trimethyl-2-aminoethylphosphonate
CMP-2-trimethylaminoethylphosphonate
ME159159
-
C05674
14.07573311
-
gamma-Glutamyl-Se-methylselenocysteine
gamma-Glutamyl-Se-methylselenocysteine
ME158991
-
C05695
15.93131244
-
gamma-Glutamyl-beta-cyanoalanine
gamma-Glutamyl-beta-cyanoalanine
ME158704
-
C05711
11.13112876
-
N-Carbamyl-L-glutamate
Carglumic acid
ME159045
-
C05829
15.14780764
-
3-Methoxyanthranilate
3-Methoxyanthranilic acid
ME158770
-
C05831
13.53645366
-
N1-Methyl-2-pyridone-5-carboxamide
N1-Methyl-2-pyridone-5-carboxamide
ME158754
-
C05842
7.642542898
-
N1-Methyl-4-pyridone-5-carboxamide
N1-Methyl-4-pyridone-3-carboxamide
ME158799
-
C05843
10.92355073
-
Dihydroneopterin phosphate
Dihydroneopterin phosphate
ME159076
-
C05925
15.5828762
-
Neopterin
Neopterin
ME158702
-
C05926
13.70068853
-
N4-Acetylaminobutanal
N4-Acetylaminobutanal
ME158728
-
C05936
7.481261158
-
Linatine
Linatine
ME158996
-
C05939
12.64640542
-
4-Hydroxy-4-methylglutamate
(2S,4S)-4-Amino-2-hydroxy-2-methylpentanedioic acid
ME158886
-
C06034
13.45425925
-
Isopyridoxal
Isopyridoxal
ME159054
-
C06051
11.76952346
-
Iridodial
Iridodial
ME158718
-
C06069
4.31612389
-
gamma-Glutamyl-beta-aminopropiononitrile
gamma-Glutamyl-beta-aminopropiononitrile
ME158764
-
C06114
9.215825985
-
[SP] Sphing-4-enine-1-phosphate
Sphingosine 1-phosphate
ME159075
-
C06124
7.424401828
-
3-Butynoate
3-Butynoic acid
ME158760
-
C06144
11.09917401
-
(S)-Norcoclaurine
(S)-Norcoclaurine
ME159074
-
C06160
11.97225197
-
(S)-Coclaurine
(S)-Coclaurine
ME158723
-
C06161
4.684417664
-
Sanguinarine
Sanguinarine
ME158938
-
C06162
13.34066661
-
Retronecine
Retronecine
ME158915
-
C06177
13.43616515
-
Slaframine
Slaframine
ME158855
-
C06185
10.94030926
-
Slaframine 2
Slaframine
ME158922
-
C06185
9.600306954
-
Ectoine
Ectoine
ME158786
-
C06231
12.89963326
-
Isoquinoline
Isoquinoline
ME159180
-
C06323
8.679253693
-
1(2H)-Isoquinolinone
-
ME159173
-
C06324
11.59697331
-
Quinolin-2-ol
2-Hydroxyquinoline
ME159221
-
C06338
4.523051714
-
Methyl cinnamate
Methyl cinnamate
ME158807
-
C06358
4.11587981
-
[FA (20:5)] 5Z,8Z,11Z,14Z,17Z-eicosapentaenoic aci...
EPA
ME158773
-
C06428
3.92783923
-
Deacetoxycephalosporin C
Deacetoxycephalosporin C
ME158795
-
C06565
15.95097816
-
Diethanolamine
Diethanolamine
ME158701
-
C06772
11.150477
-
Diethanolamine 2
Diethanolamine
ME158705
-
C06772
19.71880179
-
Maleimide
Maleimide
ME159245
-
C07272
8.526391376
-
10-Hydroxycarbazepine
Licarbazepine
ME159081
-
C07493
4.512303091
-
Phenylethylmalonamide
Phenylethylmalonamide
ME158858
-
C07499
9.109226693
-
Diacetylmonoxime
2,3-Butanedione monoxime
ME159142
-
C07509
5.376216117
-
Lysergic acid
Lysergic acid
ME159155
-
C07541
5.043687224
-
Homostachydrine
(S)-Homostachydrine
ME158928
-
C08283
9.54410507
-
L-Indospicine
Indospicine
ME158916
-
C08288
22.05915747
-
Gyromitrin
Gyromitrin
ME159170
-
C08305
12.29897692
-
Tenuazonic acid
Tenuazonic acid
ME159168
-
C08511
4.790852352
-
Thalicsessine
Thalicsessine
ME158848
-
C08714
10.72427046
-
Glaucarubolone
Glaucarubolone
ME158801
-
C08764
12.17655865
-
Aspidofractine
-
ME159224
-
C09040
12.92707529
-
Hypaphorine
Lenticin
ME158919
-
C09213
8.681930913
-
Costunolide
Costunolide
ME159191
-
C09382
4.358841381
-
Lophophorine
Lophophorine
ME158902
-
C09573
4.689371054
-
(-)-Salsolinol
Salsolinol
ME158837
-
C09642
9.102289878
-
Glabranin
Glabranin
ME159210
-
C09752
3.960670897
-
3-Butylidene-7-hydroxyphthalide
Phthalide
ME159092
-
C09921
4.012635303
-
Gentianaine
-
ME159144
-
C09960
5.100807581
-
Dasytrichone
Dasytrichone
ME158824
-
C10035
4.82549223
-
Calophyllin B
Calophyllin B
ME158800
-
C10054
7.374855825
-
Codonopsine
Codonopsine
ME159097
-
C10137
11.46955632
-
Stachydrine
Stachydrine
ME158910
-
C10172
10.61631077
-
Deoxyvasicinone
Deoxyvasicinone
ME158961
-
C10659
5.329539096
-
Cyclopamine
Cyclopamine
ME158884
-
C10798
7.48753841
-
Verticine
Peimine
ME159182
-
C10830
3.702298645
-
Valeroidine
Valeroidine
ME159204
-
C10869
4.889973795
-
Daminozide
Daminozide
ME158809
-
C10996
7.549626334
-
CTAB
-
ME158925
-
C11275
7.637166137
-
N-Acetyl-ala-ala-ala-methylester
-
ME159247
-
C11329
5.37734885
-
Leucyl-leucine
Leu-Leu
ME158822
-
C11332
4.780462863
-
FMLP
-
ME158777
-
C11596
7.941019012
-
Succinyl proline
Succinylproline
ME158955
-
C11711
11.75243361
-
[FA oxo(6:0)] N-(3-oxo-hexanoyl)-homoserine lacton...
N-(3-Oxo-hexanoyl)-homoserine lactone
ME158926
-
C11839
5.238158888
-
N-(3-Oxooctanoyl)homoserine lactone
N-(3-Oxo-octanoyl)-homoserine lactone
ME159219
-
C11841
4.372494649
-
N-Heptanoylhomoserine lactone
N-Heptanoyl-homoserine lactone
ME158909
-
C11844
4.706867701
-
Cyclo(deltaAla-L-Val)
-
ME158857
-
C11846
13.3499655
-
Cerulenin
Cerulenin
ME158901
-
C12058
9.873322038
-
Tazettine
Tazettine
ME159086
-
C12179
4.084024021
-
Chelilutine
Chelilutine
ME158958
-
C12229
11.31995519
-
N-Acetyl-aspartyl-glutamate
N-Acetyl-Asp-Glu
ME158772
-
C12270
13.77499825
-
N-Acetyl-aspartyl-glutamate 2
N-Acetyl-Asp-Glu
ME159069
-
C12270
16.51642973
-
N-Acetyl-aspartyl-glutamate 3
N-Acetyl-Asp-Glu
ME159031
-
C12270
15.42771163
-
N2-Acetyl-L-lysine
N(2)-Acetyllysine
ME158685
-
C12989
14.83671119
-
Fasoracetam
Fasoracetam
ME159160
-
C13311
4.94032952
-
ZAPA
ZAPA
ME159094
-
C13695
13.66520114
-
4-PIOL
-
ME158850
-
C13710
15.20381495
-
Tetrapentylammonium
Tetrapentylammonium
ME158816
-
C13815
7.461457396
-
[PC (16:2)] 1-hexadecyl-sn-glycero-3-phosphocholin...
LPC O-16:0
ME159122
-
C13903
4.682993364
-
Hexadecasphinganine
C16 Sphinganine
ME158923
-
C13915
7.0348675
-
1-Nitronaphthalene
1-Nitronaphthalene
ME159082
-
C14040
6.874745343
-
3-(Dimethylamino)propyl benzoate
3-(Dimethylamino)propyl benzoate
ME158890
-
C14168
7.819639488
-
Furfural
2-Furancarboxaldehyde
ME159136
-
C14279
14.53298516
-
[ST hydroxy(5:0)] 3-hydroxy-estra-1,3,5(10),6,8-pe...
-
ME159235
-
C14303
9.125223202
-
alpha-Methylstyrene
-
ME159096
-
C14395
4.127361282
-
Bendiocarb
Bendiocarb
ME158903
-
C14433
4.565341145
-
Tributyl phosphate
Tributyl phosphate
ME158875
-
C14439
4.015842908
-
Tris(butoxyethyl)phosphate
-
ME158846
-
C14446
3.941693047
-
1,2,4-Trimethylbenzene
1,2,4-Trimethylbenzene
ME159109
-
C14533
4.124362066
-
N-Acetyl-L-citrulline
N-Acetylcitrulline
ME158708
-
C15532
12.36629233
-
3-Dehydroteasterone
3-Dehydroteasterone
ME158700
-
C15792
3.855235567
-
Fructoselysine
Fructosyllysine
ME158887
-
C16488
18.4614323
-
Fructoselysine 2
Fructosyllysine
ME159126
-
C16488
17.29226272
-
Fructoselysine 6-phosphate
Fructoselysine 6-phosphate
ME159088
-
C16489
16.02137502
-
2-Phenyl-1,3-propanediol monocarbamate
-
ME159079
-
C16586
5.326872209
-
Diacetylhydrazine
-
ME159078
-
C16622
13.63076301
-
1-deoxynojirimycin
-
ME158834
-
C16843
11.34327808
-
dihydrocapsaicin
Dihydrocapsaicin
ME158942
-
C16952
3.766679326
-
cyclo-dopa 5-O-glucoside
cyclo-Dopa 5-O-glucoside
ME158977
-
C17751
14.88732479
-
allopurinol
Allopurinol
ME159181
-
D00224
15.1177464
-
1,2-dioctanoyl-1-amino-2,3-propanediol
-
ME158877
-
-
4.801366138
-
1-5-diazabicyclononane
-
ME158806
-
-
21.46949085
-
1-5-diazabicyclononane 2
-
ME159192
-
-
15.01040552
-
1,6-anhydrous-N-Acetylmuramyl-tetrapeptide
-
ME158883
-
-
14.62936601
-
1-deoxyxylonojirimycin
-
ME158878
-
-
16.16865889
-
2-amino-3,7-dideoxy-D-threo-hept-6-ulosonate
-
ME158914
-
-
12.98356021
-
2-amino-3,7-dideoxy-D-threo-hept-6-ulosonate 2
-
ME159179
-
-
11.41265692
-
2-monooleoylglycerol
MG 0:0/18:1(9Z)/0:0
ME158808
-
-
3.868519943
-
3,5,7-Trimethyl-2E,4E,6E,8E-undecatetraene
-
ME159114
-
-
4.127322438
-
3,5-dihydro-5-methylidene-4H-imidazol-4-one
-
ME158967
-
-
7.686896242
-
3-methyl-1-heptene
3-Methyl-1-heptene
ME159099
-
-
3.863189728
-
3-Methylcrotonylglycine
3-Methylcrotonylglycine
ME158963
-
-
12.93875687
-
3-nitro-2-pentanol
-
ME158927
-
-
8.585793747
-
3-Nitrotyrosine
Nitrotyrosine
ME159249
-
-
10.93952342
-
4-(1-methyl-5-hydroxy-2-pyrrolidinyl)-3-oxobutanoa...
-
ME158912
-
-
4.89715798
-
4-8dimethylnonanoylcarnitine
-
ME159131
-
-
3.883554862
-
5-guanidino-3-methyl-2-oxo-pentanoate
-
ME158865
-
-
13.72111635
-
5-Hydroxytryptophol
5-Hydroxytryptophol
ME158911
-
-
4.922897359
-
5-Methoxytryptophol
5-Methoxytryptophol
ME159174
-
-
5.862152266
-
5S-HETE di-endoperoxide
5S-HETE di-endoperoxide
ME158943
-
-
3.88791063
-
7,8-benzoflavone
7,8-Benzoflavone
ME158946
-
-
5.366117786
-
a Cysteine adduct
-
ME158815
-
-
17.66450678
-
a Cysteine adduct 2
-
ME158825
-
-
15.07814877
-
Ala-Ala-Ala
Ala-Ala-Ala
ME159223
-
-
11.8721539
-
Ala-Asn-Gly
Ala-Asn-Gly
ME159106
-
-
11.93176991
-
Ala-Asp-Asp-Gln
-
ME158984
-
-
15.72487975
-
Ala-Asp-Cys-Gly
-
ME159211
-
-
13.11350206
-
Ala-Asp-Cys-Ser
-
ME158853
-
-
17.02840446
-
Ala-Asp-Gly
Ala-Asp-Gly
ME158921
-
-
14.48818611
-
Ala-Asp-Gly 2
Ala-Asp-Gly
ME159108
-
-
12.36408416
-
Ala-Asp-Pro-Ser
-
ME159243
-
-
14.22325638
-
Ala-Gln-Pro
Ala-Gln-Pro
ME158976
-
-
11.87707247
-
Ala-Leu-Lys-Pro
-
ME158859
-
-
21.05014202
-
Ala-Leu-Thr-Pro
-
ME158940
-
-
13.18214042
-
Ala-Lys-Asn-His
-
ME158802
-
-
12.98904237
-
Ala-Met-Pro-Tyr
-
ME159228
-
-
8.416438256
-
Ala-Pro
Ala-Pro
ME158924
-
-
13.69784868
-
Ala-Ser-Ser
Ala-Ser-Ser
ME159148
-
-
15.09065468
-
Alatanin 2
Alatanin 2
ME159091
-
-
3.75500679
-
Arg-Asn-Pro-His
-
ME158874
-
-
17.5265406
-
Arg-Asp-Asp-Gly
-
ME159121
-
-
16.97935244
-
Arg-Leu-Asn-Asp
-
ME158821
-
-
14.47351036
-
Arg-Met-Asn-Gln
-
ME159238
-
-
17.27276763
-
Arg-Met-Asn-His
-
ME158971
-
-
11.09504266
-
Arg-Met-Val-Asp
-
ME159237
-
-
17.33482277
-
Asn-Asn-Asn
Asn-Asn-Asn
ME159200
-
-
11.52227789
-
Asn-Asn-Pro-His
-
ME159184
-
-
16.44646899
-
Asn-Asp
Asn-Asp
ME159098
-
-
15.59498429
-
Asn-Cys-Pro-Ser
-
ME159231
-
-
13.8554368
-
Asn-Leu-Asn-Tyr
-
ME158864
-
-
12.35193833
-
Asn-Pro
Asn-Pro
ME158929
-
-
14.002902
-
Asn-Tyr
Asn-Tyr
ME159085
-
-
12.64349852
-
Asp-Arg
Asp-Arg
ME159212
-
-
18.03842537
-
Asp-Asp-Gly
Asp-Asp-Gly
ME158842
-
-
18.17233063
-
Asp-Cys-Cys-Ser
S-Glutathionyl-cysteine
ME158828
-
-
16.73209012
-
Asp-Cys-Gln
Asp-Cys-Gln
ME159164
-
-
14.78156242
-
Asp-Gly
Asp-Gly
ME158981
-
-
16.3521298
-
Asp-Gly-Arg
Asp-Gly-Arg
ME159141
-
-
17.61968851
-
Asp-Gly-Arg 2
Asp-Gly-Arg
ME159158
-
-
15.61781313
-
Asp-Gly-Pro
Asp-Gly-Pro
ME158833
-
-
13.23519223
-
Asp-Gly-Pro-Ser
-
ME159248
-
-
13.50956558
-
Asp-Leu-Ser-His
-
ME158980
-
-
17.48881223
-
Asp-Met-Pro-Pro
-
ME159227
-
-
11.6788198
-
Asp-Pro-Ser
Asp-Pro-Ser
ME158879
-
-
13.82780226
-
Behenoylglycine
Behenoylglycine
ME159190
-
-
3.797634421
-
beta-Carboline
beta-Carboline
ME158966
-
-
7.140957155
-
beta-Citryl-L-glutamic acid
Beta-Citryl-glutamic acid
ME158839
-
-
19.91343721
-
Butenylcarnitine
CAR 4:1
ME159193
-
-
9.19739146
-
cis-5-Tetradecenoylcarnitine
CAR 14:1
ME158895
-
-
4.426051443
-
Cys-Lys-Met-Gln
-
ME159196
-
-
16.22977356
-
Cys-Met-Tyr-Tyr
-
ME158826
-
-
13.50997569
-
Cys-Thr-Cys-Cys
-
ME159233
-
-
16.73194434
-
d1-piperidine-dicarboxylate
-
ME159203
-
-
9.48407332
-
di-n-Undecylamine
-
ME158968
-
-
7.416635313
-
DL-2-Aminooctanoicacid
2-Aminocaprylic acid
ME159152
-
-
13.17095735
-
DL-Methionine sulfone
Methionine sulfone
ME158810
-
-
11.87776248
-
DMNT
-
ME159104
-
-
4.136209579
-
Dopaminequinone
Dopamine quinone
ME158729
-
-
11.85265285
-
D-Pipecolicacid
D-Pipecolic acid
ME158898
-
-
11.07914595
-
Elaidiccarnitine
CAR 18:1(9E)
ME158861
-
-
4.470328397
-
Epinephrinesulfate
Epinephrine sulfate
ME158840
-
-
13.13359824
-
[FA (14:2)] 5,8-tetradecadienal
5,8-Tetradecadienal
ME159111
-
-
4.142607599
-
[FA (20:2)] N-(11Z,14Z-eicosadienoyl)-ethanolamine
Eicosadienoyl-EA
ME158947
-
-
4.026080938
-
[FA (5:2)] 2,4-pentadienoic acid
beta-Vinyl acrylic acid
ME159176
-
-
13.87947941
-
[FA (6:0)] O-hexanoyl-R-carnitine
CAR 6:0
ME159130
-
-
7.447016658
-
[FA (8:2)] 2,4-octadienal
(E,E)-2,4-Octadienal
ME159102
-
-
4.133024
-
[FA amino(11:0)] 11-amino-undecanoic acid
11-Aminoundecanoic acid
ME158873
-
-
8.342585574
-
[FA hydroxy(9:1)] 4-hydroxy-2-nonenal
-
ME158888
-
-
3.987968503
-
[FA methyl(4:1)] 3-methyl-2-butenoic acid
beta,beta-Dimethyl acrylic acid
ME158900
-
-
15.50559801
-
[FA methyl,hydroxy,ethyl,dimethyl(22:4)] N-(2R-met...
-
ME159209
-
-
4.954739869
-
[Fv] Desmosdumotin C
-
ME158803
-
-
4.045241208
-
[Fv] Homoflemingin
-
ME158944
-
-
4.630010117
-
[Fv] Ovalitenin A
-
ME159207
-
-
3.958752245
-
Gamma-Aminobutyryl-lysine
gamma-Aminobutyryl-lysine
ME158983
-
-
20.35641333
-
Gln-Leu-Lys-His
-
ME158972
-
-
18.74938276
-
Glu-Arg
Glu-Arg
ME158804
-
-
18.07721943
-
Glu-Arg 2
Glu-Arg
ME159218
-
-
16.59734199
-
Glu-Asp
Glu-Asp
ME159161
-
-
17.10819202
-
Glu-Glu-Glu
Glu-Glu-Glu
ME158854
-
-
18.44773539
-
Glu-Gly
Glu-Gly
ME159232
-
-
15.01260705
-
Glu-Lys-Val
Glu-Lys-Val
ME158932
-
-
18.70945084
-
Glu-Met-Thr
Glu-Met-Thr
ME158965
-
-
11.90269798
-
Glu-Pro
Glu-Pro
ME159147
-
-
14.77418619
-
Glu-Thr
Glu-Thr
ME158866
-
-
14.41357807
-
Glu-Val
Glu-Val
ME159134
-
-
12.21524435
-
Glycylprolylhydroxyproline
-
ME159225
-
-
13.83018644
-
Gly-Pro-Ser
Gly-Pro-Ser
ME158847
-
-
9.553047042
-
Heptadecanoylcarnitine
CAR 17:0
ME159151
-
-
4.505559604
-
Hexanoylcarnitine
CAR 6:0
ME158891
-
-
5.253851182
-
Hexanoylglycine
Hexanoylglycine
ME158811
-
-
4.890820721
-
Hydroxybutyrylcarnitine
CAR 4:0;OH
ME158892
-
-
11.2947876
-
Ile-Met-Met-Thr
-
ME159115
-
-
12.66480879
-
Ile-Pro
Ile-Pro
ME158899
-
-
12.93975751
-
indole-3-acetonitrile oxide
-
ME158952
-
-
6.165434253
-
Indoleacrylicacid
Indoleacrylic acid
ME159188
-
-
8.68181375
-
Isovalerylalanine
Isovalerylalanine
ME158954
-
-
9.277946507
-
(-)-jasmonoyl-L-isoleucine
-
ME159213
-
-
3.784902893
-
ketoconazol
-
ME159220
-
-
4.822522926
-
L-a-glutamyl-L-Lysine
-
ME158973
-
-
16.81688887
-
Leu-Ala
Leu-Ala
ME158913
-
-
12.21696696
-
Leu-Asn-Ser
Leu-Asn-Ser
ME159083
-
-
12.5338047
-
Leu-Asp
Leu-Asp
ME158941
-
-
13.57374178
-
Leu-Asp-Gln
Leu-Asp-Gln
ME159234
-
-
10.8694352
-
Leu-Gly-Ser
Leu-Gly-Ser
ME158985
-
-
11.35663876
-
Leu-Leu-Pro
Leu-Leu-Pro
ME159127
-
-
12.68183491
-
Leu-Lys-Asp
Leu-Lys-Asp
ME159163
-
-
14.37846146
-
Leu-Lys-Pro
Leu-Lys-Pro
ME158867
-
-
21.25830051
-
Leu-Pro
Leu-Pro
ME158876
-
-
9.909244143
-
Leu-Ser
Leu-Ser
ME158948
-
-
11.76495926
-
Leu-Thr-Thr
Leu-Thr-Thr
ME158979
-
-
16.50120912
-
Leu-Val-Gly
Leu-Val-Gly
ME159239
-
-
13.90879678
-
L-glycyl-L-hydroxyproline
L-Glycyl-L-hydroxyproline
ME159162
-
-
13.33146709
-
Linoelaidylcarnitine
CAR 18:2(9E,12E)
ME159139
-
-
4.501365417
-
L-proline amide
-
ME158945
-
-
11.17737307
-
L-thiazolidine-4-carboxylate
-
ME158849
-
-
8.253926267
-
Lys-Asn-Gly
Lys-Asn-Gly
ME159089
-
-
15.65395358
-
Lys-Asp-Gly
Lys-Asp-Gly
ME158917
-
-
15.97017844
-
Lys-Lys-Met-Pro
-
ME158818
-
-
23.06678232
-
LysoPE(0:0/18:2(9Z,12Z))
LPE 0:0/18:2(9Z,12Z)*
ME159135
-
-
4.588751544
-
LysoPE(0:0/20:5(5Z,8Z,11Z,14Z,17Z))
LPE 0:0/20:5(5Z,8Z,11Z,14Z,17Z)*
ME158823
-
-
4.671074856
-
LysoPE(0:0/22:4(7Z,10Z,13Z,16Z))
LPE 0:0/22:4(7Z,10Z,13Z,16Z)*
ME158829
-
-
4.408982782
-
LysoPE(0:0/22:5(4Z,7Z,10Z,13Z,16Z))
LPE 0:0/22:5(4Z,7Z,10Z,13Z,16Z)*
ME159101
-
-
4.432095969
-
LysoPE(0:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))
LPE 0:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)*
ME159105
-
-
4.454735663
-
Lys-Pro
Lys-Pro
ME158978
-
-
11.34887004
-
Lys-Ser-Ser-Ser
-
ME159226
-
-
16.27735679
-
Lys-Trp-Asn
Lys-Trp-Asn
ME159197
-
-
13.96462919
-
Lys-Val
Lys-Val
ME158871
-
-
22.01850543
-
Lys-Val-Val
Lys-Val-Val
ME158863
-
-
9.245350013
-
Medicagol
Medicagol
ME158820
-
-
3.850936073
-
metabolite 1
-
ME158744
-
-
3.820764414
-
metabolite 2
-
ME159110
-
-
5.178625939
-
metabolite 3
-
ME159123
-
-
15.93179868
-
metabolite 4
-
ME159208
-
-
17.29773998
-
Met-Ala-Gly
Met-Ala-Gly
ME159175
-
-
12.530078
-
Met-Ala-Tyr
Met-Ala-Tyr
ME159241
-
-
12.69181567
-
Met-Asp-Gly
Met-Asp-Gly
ME158982
-
-
7.901083332
-
Met-Gly
Met-Gly
ME159242
-
-
12.5217249
-
methiin
-
ME159118
-
-
10.54427456
-
Met-Met-Gln
Met-Met-Gln
ME159244
-
-
18.17742067
-
Met-Met-Met
Met-Met-Met
ME159178
-
-
13.87739853
-
Met-Met-Val
Met-Met-Val
ME158835
-
-
12.64815776
-
Met-Thr-Asp
Met-Thr-Asp
ME159189
-
-
13.09090246
-
Met-Trp-Trp-Tyr
-
ME158988
-
-
16.17775133
-
mildronate
-
ME159177
-
-
11.98165454
-
N1,N8-diacetylspermidine
N1,N8-Diacetylspermidine
ME159167
-
-
17.46850004
-
N3-(4-methoxyfumaroyl)-L-2,3-diaminopropanoate
-
ME158872
-
-
8.322947167
-
N-(3-acetamidopropyl)-4-aminobutanal
N-(3-Acetamidopropyl)-4-aminobutanal
ME158856
-
-
18.02631753
-
N5-acetyl-N5-hydroxy-L-ornithine
2,6-Diaminopimelic acid
ME158936
-
-
11.50087516
-
N-acetyl-demethylphophinothricin
-
ME158953
-
-
9.677104954
-
N-acetyl -D- glucosaminitol
N-Acetyl-glucosaminitol
ME158930
-
-
11.97397736
-
N-acetyl -D- glucosaminitol 2
N-Acetyl-glucosaminitol
ME158934
-
-
13.285909
-
N-acetyl-(L)-arginine
N-Acetylarginine
ME158832
-
-
14.61278401
-
N-Acetylvanilalanine
N-Acetylvanilalanine
ME159240
-
-
11.48585591
-
N-Decanoylglycine
N-Decanoylglycine
ME158905
-
-
4.618937275
-
N-dimethylethanolamine
-
ME158908
-
-
18.03324274
-
N-ethylsuccinimide
N-Ethylsuccinimide
ME158860
-
-
5.086416814
-
N-hydroxyvaline
N-Hydroxy-valine
ME159185
-
-
7.41426483
-
nicotinamide riboside
Nicotinamide riboside
ME158719
-
-
23.73487063
-
nitrocyclohexane
-
ME159138
-
-
4.862534531
-
N-Nonanoylglycine
N-Nonanoylglycine
ME158897
-
-
4.686931264
-
N-(octanoyl)-L-homoserine
-
ME158868
-
-
8.006053825
-
nornorcapsaicin
-
ME159165
-
-
4.113578421
-
N-palmitoyl phenylalanine
N-Palmitoyl phenylalanine
ME159116
-
-
3.725069048
-
N-stearoyl histidine
N-Stearoyl histidine
ME159087
-
-
4.81647644
-
N-stearoyl tyrosine
N-Stearoyl tyrosine
ME159153
-
-
4.440230901
-
N-succinyl-L-citrulline
N(2)-Succinyl-citrulline
ME158845
-
-
8.112556505
-
Ovothiol disulfide
-
ME158939
-
-
15.59151707
-
p-aminobenzoyl glutamate
4-Aminobenzoylglutamic acid
ME159095
-
-
14.09636399
-
[PC (16:0/3:0)] 1-hexadecanoyl-2-(2E-propionyl)-sn...
-
ME158974
-
-
4.328157709
-
PC(16:0/5:0(CHO))
-
ME159206
-
-
4.344364575
-
PC(16:0/5:0(COOH))
-
ME159205
-
-
4.238681493
-
[PC (18:1)] 1-(11Z-octadecenyl)-sn-glycero-3-phosp...
LPC 18:1
ME159150
-
-
4.592374304
-
[PC (19:3)] 1-(10Z,13Z,16Z-nonadecatrienoyl)-sn-gl...
-
ME159090
-
-
4.390239631
-
[PC acetyl(16:1)] 1-(9Z-hexadecenoyl)-2-acetyl-sn-...
-
ME158893
-
-
4.771731412
-
[PE (18:0)] 1-octadecanoyl-sn-glycero-3-phosphoeth...
LPE 18:0/0:0
ME159137
-
-
4.639872168
-
[PE (18:1)] 1-(9Z-octadecenoyl)-sn-glycero-3-phosp...
LPE 18:1/0:0
ME159169
-
-
7.393490409
-
[PE (20:4)] 1-(5Z,8Z,11Z,14Z-eicosatetraenoyl)-sn-...
LPE 20:4
ME158827
-
-
4.517630376
-
Phe-Gly
Phe-Gly
ME158836
-
-
11.34077129
-
Phe-Pro
Phe-Pro
ME159198
-
-
8.774294463
-
Phe-Trp
Phe-Trp
ME159186
-
-
9.710972862
-
Pro-Arg-His
Pro-Arg-His
ME158885
-
-
27.19667328
-
Pro-Arg-His 2
Pro-Arg-His
ME158933
-
-
14.17730149
-
Pro-Pro
Pro-Pro
ME158959
-
-
11.69261315
-
Pro-Ser-Ser
Pro-Ser-Ser
ME158851
-
-
13.54554495
-
PS(12:0/15:0)
PS 12:0/15:0
ME158918
-
-
4.139380718
-
PS(22:1(11Z)/0:0)
PS 22:1(11Z)/0:0
ME159202
-
-
4.372031769
-
PS(36:2)
PS 36:2
ME158957
-
-
3.916789617
-
PS(38:2)
PS 38:2
ME159199
-
-
4.043806011
-
PS(38:5)
PS 38:5
ME159120
-
-
3.655850828
-
PS(40:4)
PS 40:4
ME159132
-
-
3.640690883
-
psicoselysine
Psicosyllysine
ME158906
-
-
21.21234821
-
PS(O-16:0/22:2(13Z,16Z))
PS O-16:0/22:2(13Z,16Z)*
ME159149
-
-
4.011139551
-
PS(O-18:0/20:3(8Z,11Z,14Z))
PS O-18:0/20:3(8Z,11Z,14Z)*
ME159187
-
-
4.006242126
-
PS(O-18:0/20:5(5Z,8Z,11Z,14Z,17Z))
PS O-18:0/20:5(5Z,8Z,11Z,14Z,17Z)*
ME159216
-
-
4.034936029
-
PS(O-18:0/22:4(7Z,10Z,13Z,16Z))
PS O-18:0/22:4(7Z,10Z,13Z,16Z)*
ME159112
-
-
3.987193488
-
PS(O-20:0/20:5(5Z,8Z,11Z,14Z,17Z))
PS O-20:0/20:5(5Z,8Z,11Z,14Z,17Z)*
ME159140
-
-
4.000815697
-
SM(d16:1/18:1)
SM 16:1;O2/18:1
ME159117
-
-
4.218314407
-
SM(d16:1/22:1)
SM 16:1;O2/22:1
ME159128
-
-
4.133557344
-
SM(d18:1/14:0)
SM 18:1;O2/14:0
ME159125
-
-
4.248740398
-
SM(d18:1/17:0)
SM 18:1;O2/17:0
ME159145
-
-
7.181318328
-
[SP (16:0)] N-(hexadecanoyl)-sphing-4-enine-1-phos...
SM 18:1;O2/16:0
ME158841
-
-
4.215772172
-
[SP (2:0)] sphinga-4E,14Z-dienine
4E,14Z-Sphingadiene
ME158937
-
-
4.140742666
-
[SP amino,tetramethyl(4:0/18:0/3:0)] 2S-amino-5,9,...
Aplidiasphingosine
ME158844
-
-
3.953386025
-
[SP hydrox] 6-hydroxysphing-4E-enine
6-Hydroxysphingosine
ME158881
-
-
3.979286741
-
[ST (3:0)] (5Z,7E)-(1S,3R)-24-nor-9,10-seco-5,7,10...
-
ME158813
-
-
3.897836333
-
[ST (3:0)] (5Z,7E)-(1S,3R,24R)-22-oxa-9,10-seco-5,...
-
ME158817
-
-
3.855020078
-
[ST] (5Z,7E)-9,10-seco-5,7,10(19)-cholestatriene
3-Deoxyvitamin D3
ME158852
-
-
5.243739259
-
[ST] (5Z,7E)-9,10-seco-5,7,10(19)-cholestatriene 2
3-Deoxyvitamin D3
ME158889
-
-
3.796802398
-
Stearoylcarnitine
CAR 18:0
ME159171
-
-
4.442496695
-
Suberylglycine
Suberylglycine
ME159229
-
-
9.472577468
-
Tetradecanoylcarnitine
CAR 14:0
ME158880
-
-
4.697790427
-
Thr-Ala
Thr-Ala
ME158870
-
-
13.86560244
-
Thr-Ala-Asp
Thr-Ala-Asp
ME159124
-
-
14.37987924
-
Thr-Cys
Thr-Cys
ME158896
-
-
12.38357981
-
Thr-Cys 2
Thr-Cys
ME158970
-
-
8.350699151
-
trans-Hexadec-2-enoylcarnitine
CAR 16:1(2E)
ME159156
-
-
4.590709332
-
Trp-Trp-Tyr-Tyr
-
ME159129
-
-
10.5704306
-
Val-Asn-Asp
Val-Asn-Asp
ME159103
-
-
14.14770593
-
Val-Gly
Val-Gly
ME158950
-
-
13.50702388
-
Val-Pro-Arg
Val-Pro-Arg
ME158931
-
-
13.88794284
-
Val-Ser
Val-Ser
ME159146
-
-
13.30661269
-
Analysis: HILIC NEGATIVE ION MODE
Select
Metabolite Name
RefMet Name/Standardized Name*
WorkBenchMetabolite_ID
PubChemCompound_ID
Kegg Id
Retentiontime/index
m/z ratio
ADP
ADP
ME159322
-
C00008
14.80991224
-
FAD
FAD
ME159283
-
C00016
11.19496882
-
Pyruvate
Pyruvic acid
ME159258
-
C00022
7.98386139
-
Acetyl-CoA
Acetyl-CoA
ME159308
-
C00024
12.07006829
-
2-Oxoglutarate
2-Oxoglutaric acid
ME159275
-
C00026
15.35135908
-
UDP-glucose
UDP-glucose
ME159255
-
C00029
16.09285482
-
Succinate
Succinic acid
ME159370
-
C00042
14.86984997
-
UDP-N-acetyl-D-glucosamine
UDP-N-acetylglucosamine
ME159278
-
C00043
14.81721634
-
L-Aspartate
Aspartic acid
ME159267
-
C00049
14.6433192
-
Glutathione
Glutathione
ME159263
-
C00051
13.92350954
-
Ascorbate
Vitamin C
ME159354
-
C00072
15.01768904
-
Phosphoenolpyruvate
Phosphoenolpyruvic acid
ME159254
-
C00074
17.37242829
-
UTP
UTP
ME159536
-
C00075
17.67241661
-
Sucrose
Sucrose
ME159251
-
C00089
14.88135403
-
sn-Glycerol 3-phosphate
sn-Glycero-3-phosphate
ME159277
-
C00093
14.68884753
-
D-Fructose
Fructose
ME159265
-
C00095
12.848369
-
GDP-mannose
GDP-mannose
ME159261
-
C00096
17.93791257
-
L-Cysteine
Cysteine
ME159628
-
C00097
16.10894559
-
UMP
UMP
ME159320
-
C00105
14.79920986
-
CDP
CDP
ME159627
-
C00112
16.78618466
-
Glycerol
Glycerol
ME159290
-
C00116
10.29867783
-
D-Ribose 5-phosphate
Ribose 5-phosphate
ME159260
-
C00117
15.22520022
-
D-Glyceraldehyde 3-phosphate
Glyceraldehyde 3-phosphate
ME159575
-
C00118
14.98403848
-
Fumarate
Fumaric acid
ME159272
-
C00122
14.7608308
-
D-Galactose
Galactose
ME159373
-
C00124
24.226259
-
CMP-N-acetylneuraminate
CMP-N-acetylneuraminic acid
ME159619
-
C00128
14.9412333
-
dATP
dATP
ME159297
-
C00131
15.43068074
-
myo-Inositol
Myo-inositol
ME159262
-
C00137
16.96899956
-
N-Acetyl-D-glucosamine
N-Acetyl-D-glucosamine
ME159325
-
C00140
12.11731747
-
GMP
GMP
ME159332
-
C00144
16.39856762
-
Phenol
Phenol
ME159363
-
C00146
5.942886533
-
(S)-Malate
Malic acid
ME159281
-
C00149
15.82442084
-
Citrate
Citric acid
ME159257
-
C00158
17.89231851
-
D-Mannose
Mannose
ME159355
-
C00159
25.31756766
-
Phenylpyruvate
Phenylpyruvic acid
ME159266
-
C00166
4.703501287
-
UDP-glucuronate
UDP-glucuronic acid
ME159327
-
C00167
18.86859564
-
Hydroxypyruvate
Hydroxypyruvic acid
ME159383
-
C00168
15.46160171
-
Benzoate
Benzoic acid
ME159256
-
C00180
7.409190517
-
(S)-Lactate
Lactic acid
ME159348
-
C00186
9.40721536
-
3-Phospho-D-glycerate
3-Phosphoglyceric acid
ME159253
-
C00197
16.71888783
-
2-Dehydro-3-deoxy-D-gluconate
Gluconolactone
ME159378
-
C00204
12.10267619
-
Oxalate
Oxalic acid
ME159269
-
C00209
17.49527225
-
[FA (20:4)] 5Z,8Z,11Z,14Z-eicosatetraenoic acid
Arachidonic acid
ME159584
-
C00219
3.807348739
-
beta-D-Glucose
Glucose
ME159353
-
C00221
26.42916025
-
D-Glucose
Glucose
ME159264
-
C00221
14.73953274
-
3-Phospho-D-glyceroyl phosphate
3-Phospho-D-glyceroyl dihydrogen phosphate
ME159289
-
C00236
15.6639721
-
Taurine
Taurine
ME159271
-
C00245
14.92027376
-
Butanoic acid
Butyric acid
ME159318
-
C00246
7.415586724
-
Hexadecanoic acid
Palmitic acid
ME159276
-
C00249
3.793375738
-
D-Gluconic acid
Gluconic acid
ME159280
-
C00257
13.48671778
-
D-Glycerate
Glyceric acid
ME159303
-
C00258
11.7669498
-
alpha-D-Glucose
Glucose
ME159337
-
C00267
22.84381013
-
N-Acetylneuraminate
N-Acetylneuraminic acid
ME159302
-
C00270
13.18239482
-
D-Mannose 6-phosphate
Mannose 6-phosphate
ME159342
-
C00275
14.84969202
-
Orotate(Fragment)
Orotic acid
ME159607
-
C00295
12.19383654
-
Quinate
Quinic acid
ME159350
-
C00296
12.68717832
-
D-Xylulose
L-Ribulose
ME159562
-
C00310
14.69150863
-
2-Oxoadipate
Oxoadipic acid
ME159587
-
C00322
14.39685784
-
GDP-L-fucose
GDP-L-fucose
ME159334
-
C00325
17.31727051
-
D-Galacturonate
Galacturonic acid
ME159357
-
C00333
14.35672201
-
6-Phospho-D-gluconate
6-Phosphogluconic acid
ME159259
-
C00345
17.4771367
-
PE(14:0/22:5(4Z,7Z,10Z,13Z,16Z))
PE 14:0/22:5(4Z,7Z,10Z,13Z,16Z)*
ME159559
-
C00350
3.883783597
-
[PE (18:0/18:2)] 1-octadecanoyl-2-(9Z,12Z-octadeca...
PE 18:0_18:2
ME159571
-
C00350
3.891416389
-
[PE (18:0/20:4)] 1-octadecanoyl-2-(5Z,8Z,11Z,14Z-e...
PE 18:0_20:4
ME159307
-
C00350
3.868568277
-
PE(20:2(11Z,14Z)/18:3(6Z,9Z,12Z))
PE 20:2(11Z,14Z)/18:3(6Z,9Z,12Z)*
ME159582
-
C00350
3.850685859
-
PE(22:4(7Z,10Z,13Z,16Z)/P-18:0)
-
ME159589
-
C00350
3.85066339
-
D-Fructose 1,6-bisphosphate
Fructose 1,6-bisphosphate
ME159252
-
C00354
17.76309756
-
N-Acetyl-D-glucosamine 6-phosphate
N-Acetyl-glucosamine 6-phosphate
ME159561
-
C00357
14.45496669
-
Urate
Uric acid
ME159288
-
C00366
12.49947702
-
Progesterone
Progesterone
ME159344
-
C00410
3.900373339
-
[GP (16:0/18:1)] 1-hexadecanoyl-2-(11Z-octadecenoy...
-
ME159600
-
C00416
3.631076229
-
[GP (16:0)] 1-hexadecanoyl-2-sn-glycero-3-phosphat...
LPA 16:0
ME159550
-
C00416
4.634224795
-
[GP (18:0/18:2)] 1-octadecanoyl-2-(9Z,12Z-octadeca...
PA 18:0_18:2
ME159593
-
C00416
3.659808213
-
[GP (18:0)] 1-octadecanoyl-2-sn-glycero-3-phosphat...
LPA 18:0
ME159557
-
C00416
4.51401264
-
LPA(0:0/16:0)
LPA 0:0/16:0
ME159573
-
C00416
7.39328311
-
LPA(0:0/18:0)
LPA 0:0/18:0
ME159545
-
C00416
7.381761409
-
LPA(0:0/18:1(9Z))
LPA 0:0/18:1(9Z)
ME159577
-
C00416
4.606492869
-
LPA(0:0/18:2(9Z,12Z))
LPA 0:0/18:2(9Z,12Z)*
ME159580
-
C00416
4.130383094
-
LPA(18:2(9Z,12Z)/0:0)
LPA 18:2(9Z,12Z)/0:0*
ME159537
-
C00416
7.364927775
-
L-Aspartate 4-semialdehyde
Aspartate-semialdehyde
ME159317
-
C00441
13.11912641
-
L-Cysteate
Cysteic acid
ME159382
-
C00506
15.32979469
-
L-Rhamnose
Rhamnose
ME159333
-
C00507
11.86754222
-
Homogentisate
Homogentisic acid
ME159356
-
C00544
10.73849396
-
L-Arabinonate
-
ME159540
-
C00545
13.42087283
-
L-Noradrenaline
Norepinephrine
ME159376
-
C00547
13.73143817
-
Sulfoacetaldehyde
Sulfoacetaldehyde
ME159313
-
C00593
11.10332448
-
Sulfoacetaldehyde 2
Sulfoacetaldehyde
ME159566
-
C00593
12.61779069
-
2-Hydroxy-2,4-pentadienoate
2-Hydroxypenta-2,4-dienoic acid
ME159572
-
C00596
14.66637808
-
Phenylacetaldehyde
Phenylacetaldehyde
ME159610
-
C00601
7.424749827
-
3-Sulfino-L-alanine
3-Sulfino-alanine
ME159295
-
C00606
14.22200791
-
Indole-3-acetaldehyde
Indoleacetaldehyde
ME159326
-
C00637
4.480790933
-
4-Methylene-L-glutamate
-
ME159445
-
C00651
13.28659512
-
(S)-3-Methyl-2-oxopentanoic acid
(S)-3-Methyl-2-oxopentanoic acid
ME159335
-
C00671
4.74791225
-
5-Dehydro-4-deoxy-D-glucarate
-
ME159338
-
C00679
15.10560376
-
2-Dehydro-3-deoxy-L-arabinonate
-
ME159574
-
C00684
12.40692041
-
XTP
Xanthosine 5-triphosphate
ME159331
-
C00700
14.19770925
-
[FA (18:1)] 9Z-octadecenoic acid
Oleic acid
ME159323
-
C00712
3.758274481
-
D-Proline
D-Proline
ME159304
-
C00763
24.17565184
-
[PR] Tretinoin/All-Trans Retinoic Acid
Retinoic acid
ME159291
-
C00777
3.947329993
-
D-Sorbitol
Sorbitol
ME159274
-
C00794
13.92128727
-
Pentanoate
Valeric acid
ME159436
-
C00803
4.826240295
-
D-Glucarate
Glucaric acid
ME159343
-
C00818
16.78227863
-
2-Oxooctadecanoic acid
2-Oxo-octadecanoic acid
ME159505
-
C00869
3.752289881
-
(R,R)-Tartaric acid
Tartaric acid
ME159270
-
C00898
16.94552132
-
2-Acetolactate
2-Acetolactate
ME159567
-
C00900
14.65585487
-
CoA-glutathione
Glutathionyl-CoA
ME159444
-
C00920
16.75938181
-
2-Oxoglutaramate
2-Keto-glutaramic acid
ME159305
-
C00940
7.546246523
-
3-Dehydroquinate
3-Dehydroquinate
ME159374
-
C00944
14.07820021
-
D-Alanyl-D-alanine
D-Alanyl-D-Alanine
ME159377
-
C00993
11.11332472
-
Urea-1-carboxylate
-
ME159554
-
C01010
10.77153544
-
N-Formyl-L-aspartate
N-Formyl-aspartic acid
ME159622
-
C01044
15.28706812
-
Cyclohexane-1,3-dione
Cyclohexane-1,3-dione
ME159741
-
C01066
4.399335853
-
O-Acetyl-L-homoserine
O-Acetyl-homoserine
ME159339
-
C01077
11.05096295
-
O-Acetyl-L-homoserine 2
O-Acetyl-homoserine
ME159547
-
C01077
12.98795458
-
(R)-3-Hydroxybutanoate
3R-Hydroxybutyric acid
ME159324
-
C01089
7.858494928
-
Sorbitol 6-phosphate
Pseudouridine
ME159579
-
C01096
14.85717542
-
L-Histidinol phosphate
L-Histidinol phosphate
ME159309
-
C01100
13.93597565
-
N-Acetyl-D-glucosaminate
N-acetyl-glucosaminic acid
ME159472
-
C01133
13.60815283
-
2,3-Bisphospho-D-glycerate
2,3-Diphosphoglyceric acid
ME159250
-
C01159
18.11897433
-
L-Glutamate 5-semialdehyde
L-Glutamic-gamma-semialdehyde
ME159590
-
C01165
13.00132822
-
L-Glutamate 5-semialdehyde 2
L-Glutamic-gamma-semialdehyde
ME159606
-
C01165
8.371853678
-
3-(4-Hydroxyphenyl)pyruvate
4-Hydroxyphenylpyruvic acid
ME159351
-
C01179
7.681496925
-
2-(Acetamidomethylene)succinate
-
ME159625
-
C01215
14.52019103
-
sn-glycero-3-Phospho-1-inositol
sn-Glycero-3-phosphoinositol
ME159711
-
C01225
15.83116802
-
1-Aminocyclopropane-1-carboxylate
1-Aminocyclopropanecarboxylic acid
ME159570
-
C01234
14.06810775
-
1-Aminocyclopropane-1-carboxylate 2
1-Aminocyclopropanecarboxylic acid
ME159585
-
C01234
19.88854713
-
N-Acetyl-L-glutamate 5-semialdehyde
N-Acetyl-glutamate 5-semialdehyde
ME159542
-
C01250
7.416784212
-
N-Acetyl-L-glutamate 5-semialdehyde 2
N-Acetyl-glutamate 5-semialdehyde
ME159592
-
C01250
14.00770918
-
2-Hydroxybutane-1,2,4-tricarboxylate
Homocitric acid
ME159321
-
C01251
16.97978351
-
4-(2-Aminophenyl)-2,4-dioxobutanoate
4-(2-Aminophenyl)-2,4-dioxobutanoic acid
ME159293
-
C01252
7.413209974
-
4-(2-Aminophenyl)-2,4-dioxobutanoate 2
4-(2-Aminophenyl)-2,4-dioxobutanoic acid
ME159578
-
C01252
13.74228758
-
5D-5-O-Methyl-2,3,5/4,6-pentahydroxycyclohexanone
-
ME159447
-
C01295
13.75669329
-
3alpha,7alpha,12alpha-Trihydroxy-5beta-cholestan-2...
3alpha,7alpha,12alpha-trihydroxy-5beta-cholestan-26-al
ME159379
-
C01301
3.952326394
-
Glu-Glu
Glu-Glu
ME159488
-
C01425
16.79268387
-
Glu-Glu 2
Glu-Glu
ME159530
-
C01425
13.02297605
-
Octadecanoic acid
Stearic acid
ME159603
-
C01530
3.752110136
-
Decanoic acid
Capric acid
ME159268
-
C01571
4.0660057
-
Hexanoic acid
Caproic acid
ME159286
-
C01585
4.76947787
-
Linoleate
Linoleic acid
ME159586
-
C01595
3.769770668
-
Maleamate
Maleamate
ME159548
-
C01596
7.369127839
-
Maleamate 2
Maleamate
ME159583
-
C01596
14.76099305
-
Nonanoic acid
Pelargonic acid
ME159496
-
C01601
4.173985661
-
Phthalate
Phthalic acid
ME159284
-
C01606
13.61907826
-
Tauropine
Tauropine
ME159514
-
C01616
13.31340255
-
[FA trihydroxy(4:0)] 2,3,4-trihydroxy-butanoic aci...
Threonic acid
ME159292
-
C01620
12.3391338
-
Xylobiose
Xylobiose
ME159755
-
C01630
14.7377583
-
Mesaconate
Mesaconic acid
ME159372
-
C01732
11.42034136
-
2-Butenoate
Crotonic acid
ME159689
-
C01771
14.65984707
-
L-Erythrulose
Erythrulose
ME159410
-
C02045
10.43609054
-
Pseudouridine
Pseudouridine
ME159629
-
C02067
17.2203333
-
Sedoheptulose
Glucoheptulose
ME159666
-
C02076
13.70354298
-
4-Nitroaniline
4-Nitroaniline
ME159463
-
C02126
12.06429961
-
Phenol sulfate
Phenyl hydrogen sulfate
ME159691
-
C02180
5.176106923
-
10-Oxodecanoate
10-Oxodecanoic acid
ME159763
-
C02217
4.21588438
-
2-Aminoacrylate
2-Aminoacrylic acid
ME159551
-
C02218
19.91020047
-
D-Xylonolactone
D-Xylono-1,5-lactone
ME159347
-
C02266
14.82876622
-
(S)(+)-Allantoin
Allantoin
ME159613
-
C02350
13.75959121
-
2-Oxosuccinamate
2-Oxosuccinamic acid
ME159384
-
C02362
8.813233576
-
4-Methylpentanal
4-Methylpentanal
ME159294
-
C02373
4.194767726
-
(3R)-beta-Leucine
beta-Leucine
ME159319
-
C02486
13.89791157
-
2-Butyne-1,4-diol
But-2-yne-1,4-diol
ME159655
-
C02497
17.85618778
-
3-(ADP)-glycerate
-
ME159772
-
C02509
16.32327744
-
[ST hydrox] 3alpha,7alpha-Dihydroxy-5beta-cholan-2...
Chenodeoxycholic acid
ME159568
-
C02528
4.589966695
-
3-Dehydrocarnitine
3-Dehydrocarnitine
ME159543
-
C02636
13.37404645
-
6-Acetyl-D-glucose
6-Acetylglucose
ME159677
-
C02655
15.77952844
-
6-Acetyl-D-glucose 2
6-Acetylglucose
ME159695
-
C02655
14.01298361
-
Dodecanedioic acid
Dodecanedioic acid
ME159768
-
C02678
4.117562882
-
Monomethyl sulfate
Methyl sulfate
ME159465
-
C02704
8.242760786
-
N-Acetyl-L-leucine
N-Acetylleucine
ME159394
-
C02710
7.408579872
-
N-Acetyl-L-leucine 2
N-Acetylleucine
ME159701
-
C02710
11.73450342
-
N-Acetylmuramate
N-Acetylmuramic acid
ME159380
-
C02713
11.59819559
-
[PS (18:0/22:6)] 1-octadecanoyl-2-(4Z,7Z,10Z,13Z,1...
PS 18:0_22:6
ME159311
-
C02737
3.641858742
-
10-Hydroxydecanoic acid
10-Hydroxydecanoic acid
ME159728
-
C02774
4.027718347
-
3-Phosphonopyruvate
-
ME159362
-
C02798
15.88967402
-
5-Hydroxypentanoate
5-Hydroxyvaleric acid
ME159675
-
C02804
7.411303389
-
2-Dehydro-D-xylonate
(3S,4R)-3,4,5-Trihydroxy-2-keto-valeric acid
ME159483
-
C02928
15.88502994
-
2-Dehydro-D-xylonate 2
(3S,4R)-3,4,5-Trihydroxy-2-keto-valeric acid
ME159667
-
C02928
12.88424578
-
3,4-Dihydroxypyridine
-
ME159678
-
C02932
19.90296628
-
4-Hydroxyhexan-3-one
4-Hydroxyhexan-3-one
ME159451
-
C02948
7.295139058
-
Ethyl 3-oxohexanoate
Ethyl 3-oxohexanoate
ME159720
-
C02975
7.377532875
-
[FA hydroxy(18:0)] 2S-hydroxy-octadecanoic acid
-
ME159751
-
C03045
3.815741559
-
5-Acetamidopentanoate
5-Acetamidovaleric acid
ME159306
-
C03087
7.411103012
-
5-Acetamidopentanoate 2
5-Acetamidovaleric acid
ME159359
-
C03087
11.91618977
-
N-Formyl-L-methionine
N-Formylmethionine
ME159602
-
C03145
7.41578685
-
N-Glycolyl-D-glucosamine
N-Glycolyl-D-glucosamine
ME159718
-
C03146
15.21497172
-
2,2-Iminodipropanoate
-
ME159440
-
C03210
9.28994027
-
Glycerophosphoglycerol
sn-Glycero-3-phosphoglycerol
ME159708
-
C03274
13.19644854
-
2,3,5-Trihydroxytoluene
2,3,5-Trihydroxytoluene
ME159658
-
C03338
14.84536388
-
2-Ethylhexyl phthalate
Monoethylhexyl phthalic acid
ME159411
-
C03343
3.854516238
-
N-(L-Arginino)succinate
Argininosuccinic acid
ME159614
-
C03406
16.4968689
-
N-Acetylgalactosaminate
N-Acetylgalactosaminate
ME159781
-
C03408
15.14108114
-
N-Glycosyl-L-asparagine
N-Glycosyl-asparagine
ME159420
-
C03411
14.11931237
-
(R)-S-Lactoylglutathione
S-Lactoylglutathione
ME159346
-
C03451
15.79451421
-
2-trans,6-trans-Farnesal
(2-trans,6-trans)-Farnesal
ME159481
-
C03461
4.250755268
-
L-2-Amino-3-oxobutanoic acid
L-2-Amino-3-oxobutanoic acid
ME159555
-
C03508
14.16436891
-
N-Acetyl-L-phenylalanine
N-Acetylphenylalanine
ME159538
-
C03519
7.398267444
-
[FA oxo,amino(6:0)] 3-oxo-5S-amino-hexanoic acid
(S)-5-Amino-3-oxohexanoate
ME159315
-
C03656
14.19925421
-
[FA oxo,amino(6:0)] 3-oxo-5S-amino-hexanoic acid 2
(S)-5-Amino-3-oxohexanoate
ME159360
-
C03656
12.62464727
-
Ethyl (R)-3-hydroxyhexanoate
Ethyl (R)-3-hydroxyhexanoate
ME159744
-
C03864
4.597244977
-
(S)-1-Pyrroline-5-carboxylate
1-Pyrroline-5-carboxylic acid
ME159298
-
C03912
14.89706852
-
4-Nitrophenyl-3-ketovalidamine
-
ME159778
-
C03995
14.16548123
-
[FA (18:2)] 9Z,11E-octadecadienoic acid
Rumenic acid
ME159349
-
C04056
7.322869429
-
Diethyl 2-methyl-3-oxosuccinate
4-Heptenal diethyl acetal
ME159493
-
C04067
4.816468122
-
L-2-Aminoadipate 6-semialdehyde
Allysine
ME159581
-
C04076
7.429184211
-
5,6-Dihydroxyindole-2-carboxylate
5,6-Dihydroxyindole-2-carboxylic acid
ME159390
-
C04185
7.413560862
-
(+/-)-6-Hydroxy-3-oxo-alpha-ionone
(6S)-Dehydrovomifoliol
ME159758
-
C04223
4.360909132
-
LysoPC(20:3(5Z,8Z,11Z))
LPC 20:3(5Z,8Z,11Z)
ME159385
-
C04230
3.824425607
-
(R)-2,3-Dihydroxy-3-methylbutanoate
(R)-2,3-Dihydroxy-isovalerate
ME159314
-
C04272
8.689525193
-
trans-4-Hydroxycyclohexanecarboxylate
4-Hydroxycyclohexylcarboxylic acid
ME159489
-
C04404
7.403004835
-
N-Acetyl-D-glucosamine 1,6-bisphosphate
N-Acetyl-D-glucosamine 1,6-bisphosphate
ME159413
-
C04461
16.596247
-
2,7-Anhydro-alpha-N-acetylneuraminic acid
N-Acetyl-2,7-anhydro-alpha-neuraminic acid
ME159706
-
C04521
12.98489284
-
N4-(Acetyl-beta-D-glucosaminyl)asparagine
Aspartylglycosamine
ME159565
-
C04540
14.60028458
-
N4-(Acetyl-beta-D-glucosaminyl)asparagine 2
Aspartylglycosamine
ME159569
-
C04540
15.80299898
-
gamma-L-Glutamyl-L-cysteinyl-beta-alanine
Homoglutathione
ME159456
-
C04544
12.91787267
-
3beta-Hydroxyandrost-5-en-17-one 3-sulfate
Dehydroepiandrosterone sulfate
ME159553
-
C04555
3.759665469
-
[ST hydrox] 3alpha-hydroxy-5alpha-androstan-17-one...
5alpha-Androstane-3alpha-ol-17-one sulfate
ME159712
-
C04555
3.772632864
-
2-(alpha-D-Galactosyl)-sn-glycerol 3-phosphate
2-(alpha-D-Galactosyl)-sn-glycerol 3-phosphate
ME159779
-
C04641
14.11715499
-
1-(5-Phosphoribosyl)-5-amino-4-imidazolecarboxamid...
AICAR
ME159544
-
C04677
14.78053131
-
2-(Hydroxymethyl)-3-(acetamidomethylene)succinate
-
ME159560
-
C04690
19.91435838
-
1,6,6-Trimethyl-2,7-dioxabicyclo[3.2.2]nonan-3-one
1,6,6-Trimethyl-2,7-dioxabicyclo[3.2.2]nonan-3-one
ME159727
-
C04718
4.75861349
-
[FA hydroxy(20:4)] 15S-hydroxy-5Z,8Z,11Z,13E-eicos...
15S-HETE
ME159541
-
C04742
3.815943556
-
[FA (18:3)] 13S-hydroperoxy-9Z,11E,14Z-octadecatri...
13S-HpOTrE
ME159595
-
C04785
3.851340254
-
4-(L-Alanin-3-yl)-2-hydroxy-cis,cis-muconate 6-sem...
4-(L-alanin-3-yl)-2-hydroxy-cis,cis-muconate 6-semialdehyde
ME159375
-
C04796
14.66635927
-
2-Hydroxyethanesulfonate
2-Hydroxyethanesulfonate
ME159328
-
C05123
10.6700773
-
2-Hydroxyethanesulfonate 2
2-Hydroxyethanesulfonate
ME159576
-
C05123
7.358446641
-
Oxalosuccinate
Oxalosuccinic acid
ME159599
-
C05379
16.36929888
-
D-Sedoheptulose 7-phosphate
D-Sedoheptulose 7-phosphate
ME159301
-
C05382
15.9315475
-
Melibiitol
Melibiitol
ME159388
-
C05399
13.85658205
-
L-Dehydroascorbate
L-Dehydroascorbic acid
ME159340
-
C05422
17.66942185
-
7alpha,12alpha-Dihydroxy-5beta-cholestan-3-one
7alpha,12alpha-Dihydroxy-5beta-cholestan-3-one
ME159621
-
C05453
4.24859254
-
Glycochenodeoxycholate
Glycochenodeoxycholic acid
ME159594
-
C05466
4.569219571
-
5beta-Cyprinolsulfate
5beta-Cyprinol sulfate
ME159287
-
C05468
3.936684844
-
Hydantoin-5-propionate
Hydantoin-5-propionic acid
ME159358
-
C05565
15.15116342
-
4-Oxoglutaramate
4-Oxoglutaramic acid
ME159552
-
C05572
16.69484894
-
3,4-Dihydroxymandelaldehyde
3,4-Dihydroxymandelaldehyde
ME159389
-
C05577
15.01326346
-
Indole-5,6-quinone
Indole-5,6-quinone
ME159330
-
C05579
5.448583579
-
homovanillate
Homovanillic acid
ME159369
-
C05582
8.789861889
-
Gentisate aldehyde
Gentisate aldehyde
ME159299
-
C05585
4.785461819
-
hydrogen iodide
-
ME159460
-
C05590
9.023740931
-
Phenylacetylglycine
Phenylacetylglycine
ME159273
-
C05598
4.824708422
-
Sinapoyl aldehyde
Sinapoyl aldehyde
ME159549
-
C05610
4.541617577
-
(L-Seryl)adenylate
L-Seryl-adenylate
ME159435
-
C05820
13.65038711
-
S-Sulfo-L-cysteine
Cysteine-S-sulfate
ME159336
-
C05824
16.62635218
-
2-Formaminobenzoylacetate
-
ME159300
-
C05835
4.982896075
-
Iminoaspartate
Iminoaspartic acid
ME159387
-
C05840
9.968733317
-
N-Succinyl-L-glutamate
N2-Succinylglutamate
ME159598
-
C05931
14.89503233
-
N-Succinyl-L-glutamate 2
N2-Succinylglutamate
ME159630
-
C05931
17.25675214
-
(S)-Methylmalonate semialdehyde
(S)-Methylmalonic acid semialdehyde
ME159564
-
C06002
14.71465464
-
(S)-2-Aceto-2-hydroxybutanoate
Acetohydroxybutyric acid
ME159310
-
C06006
13.46846267
-
alpha-D-Glucosamine 1-phosphate
Glucosamine 1-phosphate
ME159329
-
C06156
15.15128039
-
alpha-D-Glucosamine 1-phosphate 2
Glucosamine 1-phosphate
ME159352
-
C06156
11.9882061
-
[FA hydroxy(7:1/2:0)] 2,4-dihydroxy-2-heptenedioc ...
2,4-Dihydroxy-2-heptenedioic acid
ME159312
-
C06201
10.71272044
-
Salicylaldehyde
2-Hydroxybenzaldehyde
ME159633
-
C06202
3.96020212
-
(2S)-2-{[1-(R)-Carboxyethyl]amino}pentanoate
-
ME159498
-
C06326
9.556933025
-
(2S)-2-{[1-(R)-Carboxyethyl]amino}pentanoate 2
-
ME159687
-
C06326
10.93373349
-
[FA (8:0)] octanoic acid
Caprylic acid
ME159282
-
C06423
4.349274454
-
Tetradecanoic acid
Myristic acid
ME159279
-
C06424
3.845682699
-
[FA (20:0)] eicosanoic acid
Arachidic acid
ME159366
-
C06425
3.721054209
-
Docosahexaenoicacid
Docosahexaenoic acid
ME159604
-
C06429
3.725446905
-
Hydroxymethylphosphonate
Hydroxymethylphosphonic acid
ME159671
-
C06455
14.1588455
-
Neuraminic acid
Neuraminic acid
ME159766
-
C06469
14.20493811
-
Muramic acid
Muramic acid
ME159475
-
C06470
14.1223928
-
Muramic acid 2
Muramic acid
ME159662
-
C06470
12.98831973
-
Cyanuric acid
Cyanuric acid
ME159632
-
C06554
11.64030592
-
cis-3-Chloroacrylic acid
cis-3-Chloroacrylic acid
ME159638
-
C06615
7.671277397
-
dTDP-3-oxo-4,6-dideoxy-alpha-D-glucose
-
ME159399
-
C06618
10.16924776
-
cis-1,2-Dihydro-3-ethylcatechol
cis-1,2-Dihydro-3-ethylcatechol
ME159634
-
C06727
11.91996894
-
(4E)-2-Oxohexenoic acid
2-Oxo-4E-hexenoic acid
ME159491
-
C06761
4.786297273
-
Sulcatone
Sulcatone
ME159414
-
C07287
4.126535437
-
phlorisobutyrophenone
-
ME159509
-
C07351
4.15448909
-
Thiopental
Thiopental
ME159697
-
C07521
8.033128216
-
1,4-Bis(2-ethylhexyl) sulfosuccinate
2-Methylacetophenone
ME159516
-
C07874
3.589424674
-
alpha-D-Mannoheptulopyranose
Manno-heptulose
ME159473
-
C08236
12.10324462
-
3-Methylbutanoic acid
Isovaleric acid
ME159588
-
C08262
7.408236302
-
Docosanoic acid
Behenic acid
ME159605
-
C08281
3.697852352
-
L-Hypoglycin
-
ME159412
-
C08287
12.77879533
-
alpha-(Methylenecyclopropyl)glycine
CPD-9757
ME159670
-
C08292
23.00401696
-
[FA (22:0)] 13Z-docosenoic acid
cis-Erucic acid
ME159386
-
C08316
3.70960738
-
12-Hydroxydodecanoic acid
12-Hydroxy lauric acid
ME159404
-
C08317
4.298216045
-
Tetracosanoic acid
Lignoceric acid
ME159364
-
C08320
3.675131554
-
(9Z)-Tetradecenoic acid
Myristoleic acid
ME159740
-
C08322
3.865226166
-
[FA (24:0)] 15Z-tetracosenoic acid
Nervonic acid
ME159626
-
C08323
3.677698684
-
Cardiospermin
Cardiospermin
ME159449
-
C08328
12.9881462
-
(9Z)-Hexadecenoic acid
Palmitoleic acid
ME159597
-
C08362
3.799986921
-
(6Z)-Octadecenoic acid
6-Octadecylenic acid
ME159457
-
C08363
6.002920268
-
Clitidine 5-phosphate
Clitidine 5'-phosphate
ME159681
-
C08429
13.43067476
-
Quassin
Quassin
ME159485
-
C08778
4.535705971
-
Flaccidin B
Flaccidin B
ME159400
-
C08943
4.829686674
-
Laudanosine
N-Methyltetrahydropapaverine
ME159434
-
C09558
3.790040783
-
Botrydial
Botrydial
ME159729
-
C09622
3.88670908
-
Dehydrojuvabione
Dehydrojuvabione
ME159503
-
C09657
3.711209962
-
(1S,2R,4S)-(-)-Bornyl acetate
(1S,2R,4S)-Bornyl acetate
ME159714
-
C09837
3.935508216
-
Cantleyine
Cantleyine
ME159397
-
C09933
4.799109813
-
Arecoline
Arecoline
ME159422
-
C10129
4.721362009
-
Fagomine
Fagomine
ME159459
-
C10144
12.07788674
-
Fagomine 2
Fagomine
ME159703
-
C10144
13.14336898
-
Otonecine
Otonecine
ME159429
-
C10356
7.409791374
-
Apiole
Apiole
ME159427
-
C10429
4.229775747
-
[6]-Gingerol
Gingerol
ME159482
-
C10462
3.917712019
-
Aspidinol
Aspidinol
ME159770
-
C10673
3.954860271
-
Camoensine
Camoensine
ME159683
-
C10758
8.458324033
-
Gentisyl alcohol
Gentisyl alcohol
ME159710
-
C10792
12.85188505
-
Ecgonine
Ecgonine
ME159443
-
C10858
11.01628286
-
[FA (14:0/2:0)] Tetradecanedioic acid
Tetradecanedioic acid
ME159393
-
C11002
4.13338501
-
Brassicanal A
Brassicanal A
ME159749
-
C11048
4.422050014
-
Diethofencarb
Diethofencarb
ME159521
-
C11077
4.056531579
-
Hymexazol O-glucoside
Hymexazol O-glucoside
ME159777
-
C11102
12.86522787
-
Dichloroacetate
Dichloroacetic acid
ME159639
-
C11149
7.395475873
-
4-Amino-4-deoxychorismate
4-Amino-4-deoxychorismic acid
ME159608
-
C11355
13.07107597
-
Methyl 2-(4-isopropyl-4-methyl-5-oxo-2-imidazolin-...
-
ME159696
-
C11494
4.057523103
-
[FA] Methyl jasmonate
Methyl jasmonate
ME159617
-
C11512
4.196247043
-
2(alpha-D-Mannosyl)-D-glycerate
2-(alpha-D-mannosyl)-D-glyceric acid
ME159361
-
C11544
14.21388718
-
3-hydroxyacyl group of bacterial toxin
-
ME159611
-
C11548
4.204818596
-
5-Hydroxyisourate
5-Hydroxyisouric acid
ME159612
-
C11821
13.04983414
-
2-Aminomalonate semialdehyde
-
ME159517
-
C11822
10.70862058
-
N-Butyryl-L-homoserine lactone
N-Butyryl-L-homoserine lactone
ME159680
-
C11837
7.418123835
-
N-Butyryl-L-homoserine lactone 2
N-Butyryl-L-homoserine lactone
ME159716
-
C11837
4.957546836
-
omega-Cyclohexylundecanoic acid
Cyclohexaneundecanoic acid
ME159732
-
C12100
3.78394325
-
5-Deoxy-5-aminoshikimic acid
Aminoshikimate
ME159418
-
C12121
19.65427213
-
Obliquine
Obliquine
ME159641
-
C12183
4.641412751
-
[PR] Citronellyl acetate
-
ME159487
-
C12298
3.946337553
-
Stealthin C
Stealthin C
ME159752
-
C12392
4.82169889
-
Phenolsulfonphthalein
Phenolsulfonphthalein
ME159453
-
C12600
7.390574043
-
N2-Acetyl-L-aminoadipate
N-Acetyl-2-aminoadipic acid
ME159371
-
C12986
12.10004427
-
N2-Acetyl-L-aminoadipate 2
N-Acetyl-2-aminoadipic acid
ME159539
-
C12986
15.31861266
-
Cyclic ADP-ribose
Cyclic ADP-ribose
ME159546
-
C13050
13.79301929
-
Abscisic aldehyde
Abscisic aldehyde
ME159624
-
C13455
4.303040875
-
Phosphodimethylethanolamine
N,N-Dimethylethanolamine phosphate
ME159623
-
C13482
14.58606926
-
(R)-AMAA
-
ME159528
-
C13739
8.659579425
-
Sulmazole
Sulmazole
ME159392
-
C13749
7.811060044
-
Zoxazolamine
Zoxazolamine
ME159519
-
C13841
5.814205043
-
[FA (11:1)] 10-undecenoic acid
10-Hendecenoic acid
ME159454
-
C13910
4.014645772
-
Sulfoacetate
Sulfoacetic acid
ME159563
-
C14179
17.83277426
-
Furfural diethyl acetal
-
ME159511
-
C14280
4.26365718
-
4-Propylphenol
4-Propylphenol
ME159510
-
C14311
4.749775934
-
Benzofuran
Benzofuran
ME159673
-
C14512
4.261381204
-
Diethyl adipate
-
ME159508
-
C14566
4.303080785
-
Nitrilotriacetic acid
Nitrilotriacetic acid
ME159527
-
C14695
13.54409786
-
[FA oxo(4:0)] 11-oxo-5Z,9,12E,14E-prostatetraenoic...
15-Deoxy-delta-12,14-PGJ2
ME159316
-
C14717
4.067060256
-
[FA hydroxy(18:2)] 9S-hydroxy-10E,12Z-octadecadien...
9S-HODE
ME159596
-
C14767
3.783816036
-
N-Hydroxy-1-aminonaphthalene
-
ME159636
-
C14789
5.6409693
-
(1R)-Hydroxy-(2R)-glutathionyl-1,2-dihydronaphthal...
-
ME159637
-
C14791
4.114335347
-
[FA (18:2)] 9S-hydroperoxy-10E,12Z-octadecadienoic...
9S-HpODE
ME159345
-
C14827
3.865259494
-
[FA trihydroxy(18:1)] 9S,12S,13S-trihydroxy-10E-oc...
9,12,13-TriHOME
ME159341
-
C14833
4.395887348
-
S-(Formylmethyl)glutathione
S-(Formylmethyl)glutathione
ME159635
-
C14871
11.96837623
-
N-Acetyl-D-fucosamine
N-Acetyl-D-fucosamine
ME159477
-
C15480
10.83045973
-
N-Acetyl-D-fucosamine 2
N-Acetyl-D-fucosamine
ME159520
-
C15480
8.217878372
-
2-Deoxymugineic acid
-
ME159439
-
C15485
16.42090621
-
Abscisic acid glucose ester
-
ME159368
-
C15970
4.359858031
-
3-Sulfolactate
3-Sulfolactic acid
ME159367
-
C16069
17.32563292
-
(-)-Medicocarpin
-
ME159526
-
C16223
14.00257167
-
Traumatic acid
Traumatic acid
ME159618
-
C16308
4.216224703
-
[FA oxo(12:1)] 12-oxo-10E-dodecenoic acid
Traumatin
ME159381
-
C16309
4.041198109
-
9-Oxononanoic acid
9-Oxo-nonanoic acid
ME159616
-
C16322
4.586600407
-
3,6,8-Trimethylallantoin
-
ME159296
-
C16362
13.05630054
-
5-Hydroxyectoine
5-Hydroxyectoine
ME159620
-
C16432
13.47887845
-
Farnesoic acid
Farnesoic acid
ME159403
-
C16502
3.887055908
-
Icosatrienoic acid
ETrE(11Z,14Z,17Z)
ME159609
-
C16522
3.752073582
-
Icosadienoic acid
11Z,14Z-Eicosadienoic acid
ME159556
-
C16525
3.738502123
-
[FA (20:0)] 11Z-eicosenoic acid
cis-Gondoic acid
ME159591
-
C16526
3.732586802
-
[FA (22:4)] 7Z,10Z,13Z,16Z-docosatetraenoic acid
Adrenic acid
ME159365
-
C16527
3.721345899
-
dihomocitrate
-
ME159730
-
C16583
17.37592473
-
2-oxosuberate
-
ME159406
-
C16589
14.88635245
-
5-Phenyl-1,3-oxazinane-2,4-dione
-
ME159631
-
C16596
4.511756679
-
CAI-1
-
ME159417
-
C16640
3.893814148
-
[FA methyl(14:0)] 12-methyl-tetradecanoic acid
-
ME159739
-
C16665
3.812900637
-
nocardicin G
-
ME159709
-
C17355
13.85241195
-
10-oxogeranial
-
ME159615
-
C17622
4.321411204
-
momilactone A
Momilactone A
ME159450
-
C18015
3.980166186
-
ethanedisulfonate
-
ME159408
-
D07330
10.42713503
-
1,2-dioctanoyl-1,2,6-hexanetriol
-
ME159685
-
-
3.672146897
-
16-hydroxypalmitate
Juniperic acid
ME159747
-
-
3.785166664
-
1-naphthalenesulfonamide, n-(6-aminohexyl)-5- chlo...
-
ME159721
-
-
13.95355456
-
2-Hydroxy-1,3-dimethoxy-8,9-methylenedioxycoumesta...
2-Hydroxy-1,3-dimethoxy-8,9-methylenedioxycoumestan
ME159679
-
-
7.389492849
-
2-hydroxymethanesulfonate
-
ME159492
-
-
12.96776904
-
2-Octenedioicacid
2-Octenedioic acid
ME159704
-
-
7.301107833
-
2-(sulfomethyl)thiazolidine-4-carboxylate
-
ME159395
-
-
15.97342187
-
3,4-dihydroxybenzylamine
3,4-Dihydroxybenzylamine
ME159426
-
-
7.424162462
-
3,7-Dimethyl-2E,6E-decadien-1,10-dioic acid
-
ME159765
-
-
4.219741561
-
3-acetyl pyridine adenine dinucleotide
-
ME159506
-
-
16.94925956
-
3-carboxy-4-methyl-5-propyl-2-furanpropanoic acid
3-Carboxy-4-methyl-5-propyl-2-furanpropanoic acid
ME159733
-
-
4.697019176
-
3-dimethylsulfoniopropionaldehyde
-
ME159660
-
-
14.62945674
-
3-Hydroxydodecanedioicacid
3-Hydroxy-dodecanedioic acid
ME159760
-
-
4.793915733
-
3-sulfopropanoate
-
ME159432
-
-
16.26064025
-
5-Hydroxycotinine
-
ME159601
-
-
7.47978605
-
7E,9E,11-Dodecatrienyl acetate
7E,9E,11-Dodecatrienyl acetate
ME159713
-
-
3.918743452
-
8-keto-7-aminoperlagonate
-
ME159726
-
-
4.821822591
-
ADP ribose 1,2-phosphate
-
ME159684
-
-
16.43466417
-
A-Ketoglutaricacidoxime
alpha-Ketoglutaric acid oxime
ME159518
-
-
7.901420539
-
Ala-Asn-Asp
Ala-Asn-Asp
ME159737
-
-
15.12556037
-
Ala-Asp
Ala-Asp
ME159690
-
-
16.05518144
-
Ala-Asp-Asp
Ala-Asp-Asp
ME159430
-
-
16.76408036
-
Ala-Asp-Ser
Ala-Asp-Ser
ME159659
-
-
14.71114762
-
Ala-Ser-His
Ala-Ser-His
ME159736
-
-
14.49270986
-
ancymidol
Ancymidol
ME159458
-
-
4.449309285
-
Arg-Cys-Gln-Tyr
-
ME159474
-
-
14.53687798
-
Arg-Leu-Val-Asn
-
ME159452
-
-
21.68590165
-
Asn-Asp-Asp-Pro
-
ME159775
-
-
14.33869643
-
Asn-Asp-Gly
Asn-Asp-Gly
ME159725
-
-
15.65096276
-
Asn-Gln-Tyr-His
-
ME159535
-
-
12.2266304
-
Asn-Gly
Asn-Gly
ME159391
-
-
12.85239063
-
Aspartyl-L-proline
Asp-Pro
ME159446
-
-
15.22175385
-
Asp-Asp
Asp-Asp
ME159442
-
-
17.15169671
-
Asp-Asp 2
Asp-Asp
ME159529
-
-
12.8195013
-
Asp-Gln
Asp-Gln
ME159705
-
-
17.00572398
-
Asp-Gly-Ser
Asp-Gly-Ser
ME159780
-
-
15.5303863
-
Asp-Gly-Tyr
Asp-Gly-Tyr
ME159773
-
-
14.01078596
-
Asp-Leu-Lys-Lys
-
ME159467
-
-
22.05928952
-
Asp-Met-Cys-Cys
-
ME159534
-
-
14.32314546
-
Asp-Ser
Asp-Ser
ME159665
-
-
15.4834702
-
Capryloylglycine
Capryloylglycine
ME159401
-
-
7.379727018
-
Capryloylglycine 2
Capryloylglycine
ME159499
-
-
4.707806044
-
Cer(d18:2/16:0)
Cer 18:2;O2/16:0
ME159738
-
-
3.866242986
-
Cholesterolsulfate
Cholesterol sulfate
ME159686
-
-
3.588732049
-
Cys-Met-Met-Phe
-
ME159525
-
-
12.55013809
-
Cys-Met-Pro-His
-
ME159464
-
-
14.42601517
-
Cys-Thr-Ser-Tyr
-
ME159502
-
-
10.01238902
-
Demethyltorosaflavone D
Demethyltorosaflavone D
ME159698
-
-
4.812966883
-
dXMP
-
ME159471
-
-
15.05817523
-
ethyl-(2R)-methyl-(3S)-hydroxybutanoate
-
ME159756
-
-
4.614501026
-
ethylpyruvate
-
ME159468
-
-
4.843604417
-
[FA (10:1/2:0)] 2E-Decenedioic acid
-
ME159764
-
-
4.650442814
-
[FA (11:0)] undecanoic acid
Undecylic acid
ME159419
-
-
3.996659899
-
[FA (13:0/2:0)] Tridecanedioic acid
Tridecanedioic acid
ME159431
-
-
4.808469626
-
[FA (13:2)] 3E,5E-tridecadienoic acid
3E,5E-Tridecadienoic acid
ME159476
-
-
3.8754903
-
[FA (14:2)] 5,8-tetradecadienoic acid
5,8-Tetradecadienoic acid
ME159715
-
-
3.82695642
-
[FA (17:0)] heptadecanoic acid
Margaric acid
ME159490
-
-
3.768823628
-
[FA (20:0/2:0)] Eicosanedioic acid
Eicosanedioic acid
ME159478
-
-
3.704954366
-
[FA (20:2)] 15S-hydroperoxy-11Z,13E-eicosadienoic ...
-
ME159524
-
-
3.731355337
-
[FA (8:1)] 2Z-octenoic acid
-
ME159745
-
-
4.348771107
-
[FA dimethyl(13:0)] 2,5-dimethyl-2E-tridecenoic ac...
-
ME159742
-
-
3.834918564
-
[FA dioxo(8:0)] 4,7-dioxo-octanoic acid
4,7-Dioxo-octanoic acid
ME159507
-
-
10.75295341
-
[FA hydroxy(11:1)] 2-hydroxy-10-undecenoic acid
-
ME159649
-
-
4.106726808
-
[FA hydroxy(11:2/11:2)] 2R,9R-dihydroxy-3S,4S,7S,8...
Depdecin
ME159759
-
-
4.754454839
-
[FA hydroxy(13:0)] 2-hydroxy-tridecanoic acid
-
ME159515
-
-
3.998499335
-
[FA hydroxy(6:0)] 4-hydroxy-hexanoic acid
-
ME159480
-
-
4.815226598
-
[FA hydroxy,trihydroxy(3:0/2:0)] N-(1,3-dihydroxyp...
-
ME159523
-
-
7.830176152
-
[FA methyl(19:0/2:0)] 13-methylnonadecane-1,2-diol
-
ME159423
-
-
4.063748093
-
[FA methyl(6:0)] 2-methyl-hexanoic acid
-
ME159497
-
-
4.539999815
-
[FA oxo(16:0)] 3-oxo-hexadecanoic acid
3-Ketopalmitic acid
ME159743
-
-
3.773339451
-
[FA oxo(5:1/5:0/4:0)] (1R,2R)-3-oxo-2-(2Z-pentenyl...
-
ME159753
-
-
4.214459769
-
[FA oxo(7:0)] 2-oxo-heptanoic acid
-
ME159754
-
-
4.322040085
-
[FA oxo(8:0)] 3-oxo-octanoic acid
-
ME159512
-
-
4.5252823
-
[FA trihydroxy(4:0)] 2,2,4-trihydroxy-butanoic aci...
-
ME159479
-
-
16.18132116
-
[Fv Methyl,trimethoxy,hydrox] 3,4-Methylenedioxy-2...
-
ME159776
-
-
4.819839767
-
Galactinoldihydrate
Galactinol
ME159694
-
-
13.8503126
-
Glu-Asp-Cys
Glu-Asp-Cys
ME159438
-
-
11.34152157
-
Glu-Asp-Met
Glu-Asp-Met
ME159504
-
-
15.03814012
-
Glucosyl sphingosine
Psychosine
ME159663
-
-
4.554659178
-
Glu-Cys-Cys
Glu-Cys-Cys
ME159398
-
-
11.49791357
-
Glu-Cys-Cys 2
Glu-Cys-Cys
ME159522
-
-
16.19997823
-
Glu-Leu
Glu-Leu
ME159441
-
-
10.83217662
-
Glu-Met-Cys-His
-
ME159531
-
-
12.8820527
-
Glu-Met-Met-His
-
ME159455
-
-
14.21401643
-
Glu-Ser
Glu-Ser
ME159757
-
-
15.09932631
-
Glutarylglycine
Glutarylglycine
ME159746
-
-
8.461041629
-
glutathione-sulfite
-
ME159495
-
-
18.90549495
-
Glu-Thr-Thr
Glu-Thr-Thr
ME159699
-
-
13.83511482
-
Glycylproline
Gly-Pro
ME159433
-
-
13.42215464
-
[GP (20:4)] 1-(5Z,8Z,11Z,14Z-eicosatetraenoyl)-sn-...
-
ME159405
-
-
4.105440636
-
HEPES
-
ME159409
-
-
10.5281793
-
herbicide 14A
-
ME159643
-
-
11.57782647
-
His-Met-Trp-Ser
-
ME159486
-
-
12.609089
-
hydroxypyruvaldehyde phosphate
Hydroxypyruvaldehyde phosphate
ME159640
-
-
12.54777064
-
indole-3-acetyl-valine
-
ME159674
-
-
8.465407521
-
Indoxylsulfate
Indoxyl sulfate
ME159650
-
-
7.419286225
-
(-)-jasmonoyl-L-valine
-
ME159782
-
-
3.843399384
-
L-Ala-L-Glu
-
ME159494
-
-
13.54646072
-
L-Ala-L-Glu 2
-
ME159652
-
-
14.78574245
-
L-Cysteinylglycinedisulfide
Cysteinylglycine disulfide
ME159402
-
-
15.01268457
-
Leu-Ala-Asp
Leu-Ala-Asp
ME159774
-
-
10.75981845
-
Leu-Asp-Gly
Leu-Asp-Gly
ME159532
-
-
11.52607077
-
L-Glycericacid
Glyceric acid
ME159651
-
-
13.36059117
-
Lys-Asp
Lys-Asp
ME159668
-
-
16.58522538
-
LysoPE(0:0/20:2(11Z,14Z))
LPE 0:0/20:2(11Z,14Z)*
ME159654
-
-
4.465231877
-
melibionate
-
ME159688
-
-
14.89583844
-
metabolite 1
-
ME159466
-
-
4.782226994
-
metabolite 2
-
ME159646
-
-
14.34479167
-
Met-Ala
Met-Ala
ME159786
-
-
7.382055219
-
Met-Gly-Arg
Met-Gly-Arg
ME159415
-
-
13.18192103
-
Met-Met-Pro-Tyr
-
ME159644
-
-
17.34558493
-
MG(0:0/24:1(15Z)/0:0)
MG 0:0/24:1(15Z)/0:0
ME159664
-
-
3.611756185
-
N-(2-hydroxypentadecanoyl)-4,8-sphingadienine
-
ME159717
-
-
3.901451111
-
N3-fumaramoyl-L-2,3-diaminopropanoate
-
ME159462
-
-
14.6044357
-
n-Acetylasparagine
N-Acetylasparagine
ME159769
-
-
11.19301887
-
N-hexanoyl-D,L-homoserine lactone
-
ME159750
-
-
4.511086053
-
N-hydroxyisoleucine
N-hydroxyisoleucine
ME159734
-
-
8.460362957
-
N-oleoyl threonine
N-Oleoyl threonine
ME159771
-
-
3.696907397
-
nonulose 9-phosphate
Nonulose 9-phosphate
ME159437
-
-
16.3938399
-
nonulose 9-phosphate 2
Nonulose 9-phosphate
ME159787
-
-
14.34432504
-
Norepinephrinesulfate
Norepinephrine sulfate
ME159424
-
-
18.67989163
-
N-Undecanoylglycine
N-Undecanoylglycine
ME159500
-
-
4.491427829
-
N-Undecanoylglycine 2
N-Undecanoylglycine
ME159723
-
-
7.327220482
-
octulose 8-phosphate
Octulose 8-phosphate
ME159656
-
-
16.02582756
-
Orotidine
Orotidine
ME159285
-
-
12.20845877
-
Oxoamide
Oxoamide
ME159558
-
-
5.420949809
-
PA(36:1)
PA 36:1
ME159719
-
-
3.589678378
-
PA(36:3)
PA 36:3
ME159676
-
-
3.656282364
-
PA(36:4)
PA 36:4
ME159672
-
-
3.609996166
-
[PC (15:1)] 1-(1Z-pentadecenyl)-sn-glycero-3-phosp...
-
ME159707
-
-
4.471175719
-
[PC (17:0)] 1-(10Z-heptadecenoyl)-sn-glycero-3-pho...
LPC 17:1
ME159648
-
-
4.432966941
-
[PC (7:0/8:0)] 1-heptanoyl-2-octanoyl-sn-glycero-3...
-
ME159731
-
-
4.79296234
-
[PC acetyl(18:2)] 1-(9Z,12Z-octadecadienoyl)-2-ace...
-
ME159767
-
-
3.82927069
-
P-DPD
-
ME159642
-
-
14.84762151
-
[PE (16:1)] 1-(1Z-hexadecenyl)-sn-glycero-3-phosph...
LPE P-16:0 or LPE O-16:1
ME159724
-
-
4.597940838
-
penem CGP31608
-
ME159484
-
-
15.61744596
-
penem CGP31608 2
-
ME159513
-
-
7.741840411
-
perchlorate
-
ME159407
-
-
6.090334822
-
PG(36:3)
PG 36:3
ME159533
-
-
3.541085128
-
PG(40:8)
PG 40:8
ME159783
-
-
3.538750959
-
PG(P-16:0/15:1(9Z))
PG P-16:0/15:1(9Z)
ME159682
-
-
4.082887282
-
phosphinomethylmalate
-
ME159653
-
-
13.3334148
-
[PI (18:0)] 1-octadecanoyl-sn-glycero-3-phospho-(1...
-
ME159469
-
-
4.151175651
-
PI(36:2)
PI 36:2
ME159461
-
-
3.674680545
-
PI(36:4)
PI 36:4
ME159702
-
-
3.676457831
-
PI(38:4)
PI 38:4
ME159669
-
-
3.662045012
-
PI(38:5)
PI 38:5
ME159693
-
-
3.666715001
-
PIPES
-
ME159700
-
-
14.19101984
-
[PR] 2-methylbacteriohopane-32,33,34,35-tetrol
-
ME159762
-
-
3.555066661
-
[PR] 9-Hydroxy-helminthosporol
-
ME159735
-
-
3.897057118
-
[PS (10:0)] 1,2-didecanoyl-sn-glycero-3-phosphoser...
-
ME159761
-
-
4.22681886
-
PS(13:0/12:0)
PS 13:0/12:0*
ME159748
-
-
4.176897616
-
PS(15:0/22:4(7Z,10Z,13Z,16Z))
PS 15:0/22:4(7Z,10Z,13Z,16Z)*
ME159661
-
-
3.594237981
-
[PS (18:0)] 1-octadecanoyl-sn-glycero-3-phosphoser...
LPS 18:0
ME159501
-
-
4.093026788
-
PS(19:1(9Z)/22:2(13Z,16Z))
PS 19:1(9Z)/22:2(13Z,16Z)*
ME159416
-
-
3.933960944
-
[PS (20:4)] 1-(5Z,8Z,11Z,14Z-eicosatetraenoyl)-sn-...
LPS 20:4
ME159421
-
-
4.09324754
-
PS(40:8)
PS 40:8
ME159647
-
-
3.649416342
-
PS(P-18:0/17:2(9Z,12Z))
PS P-18:0/17:2(9Z,12Z)*
ME159645
-
-
3.552363111
-
sinapoyltyramine
-
ME159784
-
-
4.108440184
-
sodium dodecyl sulfate
-
ME159428
-
-
3.655797892
-
[ST (4:0/4:0/4:0)] (5Z,7E)-(1S,3R,20R,22S)-24a-hom...
-
ME159470
-
-
3.970621526
-
Tetranor-PGE1
Tetranor-PGE1
ME159692
-
-
4.559994964
-
Thr-Ala-Ala
Thr-Ala-Ala
ME159722
-
-
17.93902737
-
uridine-5-diphosphate bromoacetol
-
ME159396
-
-
18.02171848
-
Val-Asp-Ser
Val-Asp-Ser
ME159785
-
-
12.97364067
-
Vanilpyruvicacid
Vanilpyruvic acid
ME159448
-
-
4.840498101
-
Vinylacetylglycine
Vinylacetylglycine
ME159425
-
-
14.38470588
-
Vinylacetylglycine 2
Vinylacetylglycine
ME159657
-
-
7.369363094
-
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