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Return to study ST001549 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
NADH
NADH
ME377144
-
C00004
13.55564999
-
NADPH
NADPH
ME377151
-
C00005
16.8312361
-
NADP+
NADP
ME377150
-
C00006
16.57927348
-
ADP
ADP
ME377093
-
C00008
14.31210971
-
Orthophosphate
Phosphoric acid
ME376638
-
C00009
14.48931257
-
CoA
Coenzyme A
ME377155
-
C00010
13.63180406
-
FAD
FAD
ME377156
-
C00016
11.93385425
-
S-Adenosyl-L-methionine
S-Adenosylmethionine
ME377082
-
C00019
16.39776001
-
AMP
AMP
ME377055
-
C00020
13.8677628
-
Acetyl-CoA
Acetyl-CoA
ME377160
-
C00024
12.46625417
-
L-Glutamate
Glutamic acid
ME376736
-
C00025
14.66099532
-
GDP
GDP
ME377100
-
C00035
17.6102222
-
L-Alanine
Alanine
ME376634
-
C00041
14.79546663
-
GTP
GTP
ME377132
-
C00044
18.74617681
-
L-Lysine
Lysine
ME376734
-
C00047
22.53669979
-
Glutathione
Glutathione
ME377026
-
C00051
14.34394527
-
CMP
CMP
ME377043
-
C00055
16.28811671
-
FMN
FMN
ME377104
-
C00061
12.19270288
-
L-Arginine
Arginine
ME376805
-
C00062
23.42488664
-
CTP
CTP
ME377116
-
C00063
17.87041183
-
L-Glutamine
Glutamine
ME376733
-
C00064
15.09774402
-
L-Serine
Serine
ME376653
-
C00065
15.7519243
-
L-Methionine
Methionine
ME376742
-
C00073
11.61442774
-
L-Ornithine
Ornithine
ME376707
-
C00077
21.86995337
-
L-Tryptophan
Tryptophan
ME376871
-
C00078
11.64813186
-
L-Phenylalanine
Phenylalanine
ME376784
-
C00079
10.29063906
-
L-Tyrosine
Tyrosine
ME376820
-
C00082
13.08484543
-
Catechol
Pyrocatechol
ME376656
-
C00090
13.58510734
-
L-Cysteine
Cysteine
ME376682
-
C00097
14.21746258
-
beta-Alanine
beta-Alanine
ME376635
-
C00099
15.13668408
-
Anthranilate
2-Aminobenzoic acid
ME376715
-
C00108
11.77596403
-
2-Oxobutanoate
3-Methyl pyruvic acid
ME376645
-
C00109
14.05574731
-
Choline
Choline
ME376651
-
C00114
19.19862671
-
D-Ribose 5-phosphate
Ribose 5-phosphate
ME376915
-
C00117
15.47943759
-
Biotin
Biotin
ME376934
-
C00120
8.878172956
-
L-Leucine
Leucine
ME376701
-
C00123
11.38891337
-
Glutathione disulfide
Oxidized glutathione
ME377141
-
C00127
17.23174522
-
dATP
dATP
ME377120
-
C00131
15.41901109
-
L-Histidine
Histidine
ME376758
-
C00135
14.67581331
-
N-Acetyl-D-glucosamine
N-Acetylglucosamine
ME376898
-
C00140
11.85437467
-
GMP
GMP
ME377066
-
C00144
16.57523761
-
Adenine
Adenine
ME376711
-
C00147
9.656538574
-
L-Proline
Proline
ME376665
-
C00148
12.82865409
-
L-Asparagine
Asparagine
ME376704
-
C00152
15.2889373
-
Nicotinamide
Niacinamide
ME376685
-
C00153
7.722112671
-
PC(32:1)
PC 32:1
ME377149
-
C00157
4.151124597
-
5'-Methylthioadenosine
5'-Methylthioadenosine
ME377012
-
C00170
7.706917496
-
L-Valine
Valine
ME376671
-
C00183
12.59151473
-
L-Threonine
Threonine
ME376677
-
C00188
14.54653459
-
Adenosine
Adenosine
ME376974
-
C00212
9.228879038
-
D-Glutamate
D-Glutamic acid
ME376739
-
C00217
11.03413737
-
Acetyl phosphate
Acetylphosphate
ME376718
-
C00227
13.28311666
-
Pyridoxal
Pyridoxal
ME376787
-
C00250
8.209959782
-
Riboflavin
Riboflavin
ME377074
-
C00255
8.788352409
-
Hypoxanthine
Hypoxanthine
ME376713
-
C00262
10.08930377
-
N-Acetylneuraminate
N-Acetylneuraminic acid
ME377031
-
C00270
13.28361308
-
D-Erythrose 4-phosphate
Erythrose 4-phosphate
ME376861
-
C00279
13.25465834
-
Inosine
Inosine
ME376975
-
C00294
10.94090695
-
Creatine
Creatine
ME376700
-
C00300
14.65076261
-
ADP-ribose
ADP-ribose
ME377137
-
C00301
14.6857471
-
CDP-choline
CDP-choline
ME377118
-
C00307
15.29720922
-
Pyridoxine
Pyridoxine
ME376792
-
C00314
8.207140266
-
GDP-L-fucose
GDP-L-fucose
ME377139
-
C00325
17.27744446
-
L-Citrulline
Citrulline
ME376810
-
C00327
15.88098344
-
L-Kynurenine
Kynurenine
ME376881
-
C00328
10.90367945
-
D-Glucosamine
Glucosamine
ME376817
-
C00329
13.5351272
-
PE(P-36:4)
PE P-36:4
ME377148
-
C00350
4.067504183
-
Thiamin
Thiamine
ME376969
-
C00378
19.68096003
-
Xylitol
Xylitol
ME376750
-
C00379
12.97295629
-
Carnosine
Carnosine
ME376907
-
C00386
15.69477173
-
Guanosine
Guanosine
ME376993
-
C00387
12.61807641
-
GDP-glucose
GDP-glucose
ME377140
-
C00394
17.89452769
-
5-Aminopentanoate
5-Aminopentanoic acid
ME376674
-
C00431
15.27118669
-
N-Acetylornithine
N-Acetylornithine
ME376804
-
C00437
13.63819595
-
N-Carbamoyl-L-aspartate
Carbamoylaspartate
ME376811
-
C00438
16.43472782
-
N-Formimino-L-glutamate
Formiminoglutamic acid
ME376803
-
C00439
11.89808038
-
L-Carnitine
Carnitine
ME376771
-
C00487
13.35397369
-
L-Cystine
Cystine
ME376927
-
C00491
16.21640416
-
Allantoate
Allantoic acid
ME376813
-
C00499
14.78310196
-
Folate
Folic acid
ME377099
-
C00504
16.42625544
-
Cystathionine
Cystathionine
ME376900
-
C00542
17.05546282
-
SM(d18:1/24:1(15Z))
SM 18:1;O2/24:1(15Z)
ME377162
-
C00550
4.221065
-
3',5'-Cyclic AMP
3',5' cyclic AMP
ME377045
-
C00575
9.604156124
-
Betaine aldehyde
Betaine aldehyde
ME376643
-
C00576
28.17308667
-
Guanidinoacetate
Guanidoacetic acid
ME376669
-
C00581
15.74157381
-
Choline phosphate
Choline phosphate
ME376823
-
C00588
14.96442212
-
Coniferyl alcohol
Coniferyl alcohol
ME376818
-
C00590
4.538867636
-
Phenylacetaldehyde
Phenylacetaldehyde
ME376679
-
C00601
8.660608346
-
N-Acetyllactosamine
N-Acetyllactosamine
ME377079
-
C00611
13.84730348
-
Xanthosine 5'-phosphate
XMP
ME377067
-
C00655
17.68125
-
gamma-L-Glutamyl-L-cysteine
gamma-Glutamylcysteine
ME376944
-
C00669
14.30786099
-
sn-glycero-3-Phosphocholine
sn-Glycero-3-phosphocholine
ME376954
-
C00670
14.48828528
-
meso-2,6-Diaminoheptanedioate
-
ME376844
-
C00680
14.30820328
-
Betaine
Betaine
ME376673
-
C00719
11.41607463
-
1-4-beta-D-Glucan
1,4-beta-D-Glucan
ME377134
-
C00760
3.888955994
-
D-Proline
D-Proline
ME376664
-
C00763
11.31982735
-
Urocanate
Urocanic acid
ME376716
-
C00785
10.7876167
-
CDP-ribitol
CDP-ribitol
ME377135
-
C00789
16.41319589
-
Creatinine
Creatinine
ME376660
-
C00791
9.814513346
-
D-Sorbitol
Sorbitol
ME376822
-
C00794
13.94972636
-
Pantothenate
Pantothenic acid
ME376894
-
C00864
8.73737083
-
Deoxycytidine
Deoxycytidine
ME376908
-
C00881
10.14411829
-
Cinnamaldehyde
Cinnamaldehyde
ME376705
-
C00903
4.279282197
-
5,6-Dihydrothymine
Dihydrothymine
ME376691
-
C00906
10.73085933
-
2,3-Dimethylmaleate
Dimethyl maleate
ME376725
-
C00922
14.32630872
-
3',5'-Cyclic CMP
3',5'-cyclic CMP
ME377022
-
C00941
12.84277929
-
3-Dehydroquinate
3-Dehydroquinate
ME376840
-
C00944
10.64623858
-
4-Pyridoxolactone
4-Pyridoxolactone
ME376780
-
C00971
5.329623372
-
O-Acetyl-L-serine
O-Acetylserine
ME376738
-
C00979
10.50548332
-
3-Isopropylcatechol
3-Isopropylcatechol
ME376751
-
C01014
7.695135434
-
5-Hydroxytryptophan
5-Hydroxy-tryptophan
ME376896
-
C01017
10.04322297
-
N,N-Dimethylglycine
Dimethylglycine
ME376648
-
C01026
14.11069002
-
N-Acetyl-beta-alanine
N-Acetyl-beta-alanine
ME376698
-
C01073
8.922710754
-
O-Acetyl-L-homoserine
O-Acetyl-homoserine
ME376769
-
C01077
11.14859871
-
N-Acetyl-D-glucosaminate
N-acetyl-glucosaminic acid
ME376924
-
C01133
14.1221075
-
N(pi)-Methyl-L-histidine
3-Methylhistidine
ME376793
-
C01152
12.53512297
-
L-Glutamate 5-semialdehyde
L-Glutamic-gamma-semialdehyde
ME376699
-
C01165
14.5103586
-
4-Trimethylammoniobutanoate
3-Dehydroxycarnitine
ME376730
-
C01181
13.40529063
-
N-Methylethanolamine phosphate
N-Methylethanolamine phosphate
ME376756
-
C01210
14.95486669
-
2-(Acetamidomethylene)succinate
-
ME376829
-
C01215
13.2546903
-
sn-glycero-3-Phosphoethanolamine
sn-Glycero-3-phosphoethanolamine
ME376888
-
C01233
15.6325825
-
D-Glucono-1,5-lactone 6-phosphate
6-Phosphonoglucono-D-lactone
ME376955
-
C01236
17.42565257
-
N-Acetyl-L-glutamate 5-semialdehyde
N-Acetyl-glutamate 5-semialdehyde
ME376800
-
C01250
7.794411073
-
3-Hydroxy-N6,N6,N6-trimethyl-L-lysine
3-Hydroxy-N6,N6,N6-trimethyl-lysine
ME376874
-
C01259
19.77936096
-
Boc-Asn
-
ME376919
-
C01410
7.883536414
-
Glu-Glu
Glu-Glu
ME376983
-
C01425
16.57194282
-
[PR] 2E-geraniol
-
ME376755
-
C01500
4.575603
-
Ricinine
Ricinine
ME376779
-
C01526
7.994718424
-
Urethane
Ethyl carbamate
ME376633
-
C01537
8.901067301
-
D-Apiitol
Apiitol
ME376714
-
C01569
10.6686239
-
Phthalate
Phthalic acid
ME376785
-
C01606
14.08754357
-
L-Dopachrome
Dopachrome
ME376850
-
C01693
19.47563883
-
Octylamine
Octylamine
ME376696
-
C01740
13.75202262
-
Xanthosine
Xanthosine
ME376995
-
C01762
14.13346334
-
D-Norvaline
Norvaline
ME376670
-
C01799
8.809344625
-
D-Asparagine
D-Asparagine
ME376703
-
C01905
12.33040285
-
Dethiobiotin
Dethiobiotin
ME376887
-
C01909
10.23495515
-
Homoarginine
Homoarginine
ME376834
-
C01924
18.61663886
-
Nonanoyl-CoA
Nonanoyl-CoA
ME377165
-
C01942
3.840106676
-
Picolinamide
Picolinamide
ME376684
-
C01950
14.21405339
-
Indolelactate
Indolelactic acid
ME376875
-
C02043
7.802860031
-
3-Methylguanine
3-Methylguanine
ME376783
-
C02230
9.884858776
-
5-Valerolactone
5-Valerolactone
ME376640
-
C02240
7.836457987
-
7-Methyladenine
7-Methyladenine
ME376744
-
C02241
14.03743193
-
7-Methylguanine
7-Methylguanine
ME376782
-
C02242
12.6846834
-
8-Oxocoformycin
-
ME376992
-
C02243
8.749871511
-
Phosphocreatine
Phosphocreatine
ME376884
-
C02305
15.08041679
-
Sinapyl alcohol
Sinapyl alcohol
ME376883
-
C02325
4.672457856
-
2',3'-Cyclic AMP
2',3' cyclic AMP
ME377046
-
C02353
13.56631402
-
Cinnamyl alcohol
Cinnamyl alcohol
ME376710
-
C02394
4.388238708
-
Cyclohex-2-enone
Cyclohex-2-enone
ME376637
-
C02395
4.424764669
-
(Ac)2-L-Lys-D-Ala
(Ac)2-L-Lys-D-Ala
ME377018
-
C02487
11.98869019
-
N-Methylhydantoin
N-Methylhydantoin
ME376662
-
C02565
12.64111923
-
O-Acetylcarnitine
CAR 2:0
ME376869
-
C02571
11.1092347
-
2-Isopropylmaleate
Isopropylmaleate
ME376762
-
C02631
10.02667647
-
3-Ureidopropionate
Ureidopropionic acid
ME376702
-
C02642
11.86162755
-
4-Hydroxy-2-butynal
4-Hydroxybut-2-ynal
ME376631
-
C02648
14.31666435
-
6-Acetyl-D-glucose
6-Acetylglucose
ME376901
-
C02655
14.18659327
-
L-Formylkynurenine
N-Formyl-L-kynurenine
ME376923
-
C02700
10.15429925
-
N-Acetylmethionine
N-Acetylmethionine
ME376847
-
C02712
10.03817783
-
N-Acetylmuramate
N-Acetylmuramic acid
ME377006
-
C02713
13.40718892
-
N-Formiminoglycine
N-Formimidoylglycine
ME376647
-
C02718
12.03052535
-
N6-Acetyl-L-lysine
N6-Acetyllysine
ME376832
-
C02727
12.92043929
-
N6-Methyl-L-lysine
N(6)-Methyllysine
ME376768
-
C02728
22.09466669
-
Benzene-1,2,4-triol
1,2,4-Trihydroxybenzene
ME376689
-
C02814
14.13791272
-
N,N-Dimethylaniline
N,N-Dimethylaniline
ME376683
-
C02846
5.058466675
-
O-Butanoylcarnitine
CAR 4:0
ME376918
-
C02862
8.887791951
-
2-Aminobutan-4-olide
Homoserine lactone
ME376642
-
C02926
8.373704483
-
L-Methionine S-oxide
Methionine sulfoxide
ME376781
-
C02989
13.64608576
-
N-Acetyl-L-histidine
N-Acetylhistidine
ME376856
-
C02997
8.950118244
-
O-Propanoylcarnitine
CAR 3:0
ME376891
-
C03017
9.92188737
-
Uracil 5-carboxylate
Uracil-5-carboxylic acid
ME376759
-
C03030
12.83094728
-
N-Amidino-L-glutamate
alpha-Guanidinoglutaric acid
ME376838
-
C03140
10.29659256
-
N-Glycolyl-D-glucosamine
N-Glycolyl-D-glucosamine
ME376925
-
C03146
16.14633085
-
Phosphonoacetaldehyde
Phosphonoacetaldehyde
ME376686
-
C03167
14.49304716
-
6-Amino-2-oxohexanoate
2-Keto-6-aminocaproate
ME376728
-
C03239
9.193347941
-
L-3-Amino-isobutanoate
beta-Aminoisobutyric acid
ME376650
-
C03284
12.19928398
-
Aminoimidazole ribotide
AIR
ME377009
-
C03373
15.19723117
-
N-Glycosyl-L-asparagine
N-Glycosyl-asparagine
ME377007
-
C03411
14.51553093
-
O-beta-D-Glucosylzeatin
-
ME377078
-
C03423
12.93705624
-
(R)-S-Lactoylglutathione
S-Lactoylglutathione
ME377076
-
C03451
12.62906799
-
O-Acetylneuraminic acid
-
ME377029
-
C03525
14.8061264
-
1-Pyrroline-2-carboxylate
1-Pyrroline-2-carboxylic acid
ME376658
-
C03564
7.76708669
-
2'-Hydroxydihydrodaidzein
2'-Hydroxydihydrodaidzein
ME376977
-
C03567
14.82388944
-
NG,NG-Dimethyl-L-arginine
Dimethylarginine
ME376866
-
C03626
21.08375399
-
[FA oxo,amino(6:0)] 3-oxo-5S-amino-hexanoic acid
(S)-5-Amino-3-oxohexanoate
ME376729
-
C03656
13.26702942
-
gamma-L-Glutamyl-D-alanine
gamma-L-Glutamyl-D-alanine
ME376893
-
C03738
14.55271587
-
4-Oxocyclohexanecarboxylate
-
ME376722
-
C03767
7.712391317
-
5-Guanidino-2-oxopentanoate
2-Oxoarginine
ME376801
-
C03771
14.37148951
-
N6,N6,N6-Trimethyl-L-lysine
N-6-Trimethyllysine
ME376836
-
C03793
21.36391262
-
N6-(1,2-Dicarboxyethyl)-AMP
Adenylsuccinic acid
ME377105
-
C03794
17.93289388
-
5'-Phosphoribosylglycinamide
GAR
ME376997
-
C03838
16.41860148
-
L-2-Amino-6-oxoheptanedioate
-
ME376837
-
C03871
9.662048238
-
Ngamma-Monomethyl-L-arginine
Targinine
ME376833
-
C03884
23.68146827
-
(S)-1-Pyrroline-5-carboxylate
1-Pyrroline-5-carboxylic acid
ME376659
-
C03912
9.589247294
-
N6-Acetyl-N6-hydroxy-L-lysine
N(6)-Acetyl-N(6)-hydroxy-lysine
ME376873
-
C03955
10.98803728
-
4-(Trimethylammonio)but-2-enoate
(E)-4-(Trimethylammonio)but-2-enoate
ME376724
-
C04114
10.81596658
-
5,8,13,13a-Tetrahydrocolumbamine
(S)-Tetrahydrocolumbamine
ME377052
-
C04118
11.30532504
-
N2-(D-1-Carboxyethyl)-L-arginine
D-Octopine
ME376939
-
C04137
14.17089597
-
[LysoPC(14:0)] 1-tetradecanoyl-sn-glycero-3-phosph...
LPC 14:0
ME377108
-
C04230
5.037808355
-
LysoPC(16:0)
LPC 16:0
ME377126
-
C04230
4.858428345
-
LysoPC(16:1(9Z))
LPC 16:1(9Z)
ME377123
-
C04230
4.921676949
-
LysoPC(18:0)
LPC 18:0
ME377133
-
C04230
4.732824546
-
LysoPC(18:1(9Z))
LPC 18:1(9Z)
ME377130
-
C04230
7.623937522
-
PC(15:0)
PC 15:0
ME377114
-
C04230
4.946656926
-
[PC(16:0)] 1-hexadecanoyl-sn-glycero-3-phosphochol...
LPC 16:0
ME377125
-
C04230
7.658055154
-
[PC(16:1)] 1-(1Z-hexadecenyl)-sn-glycero-3-phospho...
LPC P-16:0 or LPC O-16:1
ME377113
-
C04230
4.967227809
-
L-1-Pyrroline-3-hydroxy-5-carboxylate
-
ME376692
-
C04281
11.099488
-
D-myo-Inositol 1,2-cyclic phosphate
Inositol cyclic phosphate
ME376929
-
C04299
16.56420376
-
3,4-Dihydro-2H-Pyrrole-2-carboxylate
-
ME376657
-
C04322
9.035055379
-
N-Succinyl-LL-2,6-diaminoheptanedioate
N-Succinyl-L,L-2,6-diaminopimelate
ME377001
-
C04421
12.45124715
-
3,4-Dehydrothiomorpholine-3-carboxylate
-
ME376727
-
C04445
7.804464334
-
7-Methyl-2-hydroxy-6-oxoocta-2,4-dienoate
Vanylglycol
ME376825
-
C04535
5.130519636
-
gamma-L-Glutamyl-L-cysteinyl-beta-alanine
Homoglutathione
ME377042
-
C04544
13.34987208
-
Benzyl (2R,3S)-2-methyl-3-hydroxybutanoate
-
ME376882
-
C04561
4.925980001
-
UDP-N-acetyl-2-amino-2-deoxy-D-glucuronate
-
ME377143
-
C04573
17.26338454
-
2-(Formamido)-N1-(5'-phosphoribosyl)acetamidine
-
ME377035
-
C04640
16.15017785
-
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
ME376826
-
C04718
4.815108724
-
2'-O-Methyladenosine
2'-O-Methyladenosine
ME376990
-
C04779
14.19334157
-
[FA oxo(5:1/5:0/8:0)] (1S,2S)-3-oxo-2-(2'Z-penteny...
-
ME377008
-
C04780
4.078271728
-
L-Glutamate methylester
-
ME376770
-
C05016
9.377753377
-
S-(2-Methylbutanoyl)-dihydrolipoamide
-
ME377005
-
C05118
4.721377801
-
S-(3-Methylbutanoyl)-dihydrolipoamide
-
ME377004
-
C05119
5.153568827
-
2-(alpha-Hydroxyethyl)thiamine diphosphate
-
ME377109
-
C05125
14.23970405
-
(1-Ribosylimidazole)-4-acetate
Imidazoleacetic acid riboside
ME376956
-
C05131
13.34977078
-
4-Imidazolone-5-acetate
-
ME376721
-
C05133
13.47820697
-
GDP-3,6-dideoxy-D-galactose
GDP-3,6-dideoxy-D-galactose
ME377138
-
C05136
13.0348125
-
Gamma-Glutamylglutamine
gamma-Glutamylglutamine
ME376980
-
C05283
15.19652084
-
Psicofuranin
Angustmycin C
ME377013
-
C05342
9.642946625
-
3-Dehydroxycarnitine
3-Dehydroxycarnitine
ME376731
-
C05543
9.925612386
-
Ne,Ne dimethyllysine
N(6),N(6)-Dimethyl-lysine
ME376806
-
C05545
21.04802382
-
Ergothioneine
Ergothioneine
ME376912
-
C05570
14.78015243
-
Hercynine
Hercynine
ME376858
-
C05575
12.3315821
-
3,4-Dihydroxyphenylethyleneglycol
3,4-Dihydroxyphenylglycol
ME376794
-
C05576
7.72415197
-
Indole-5,6-quinone
Indole-5,6-quinone
ME376735
-
C05579
10.14589335
-
3-Methoxy-4-hydroxyphenylethyleneglycol
Vanylglycol
ME376824
-
C05594
7.670932027
-
CMP-N-trimethyl-2-aminoethylphosphonate
CMP-2-trimethylaminoethylphosphonate
ME377110
-
C05674
14.4774943
-
gamma-Glutamyl-Se-methylselenocysteine
gamma-Glutamyl-Se-methylselenocysteine
ME377034
-
C05695
16.34692078
-
Methylimidazoleacetic acid
Methylimidazoleacetic acid
ME376720
-
C05828
9.565095205
-
N-Carbamyl-L-glutamate
Carglumic acid
ME376841
-
C05829
9.811311001
-
N4-Acetylaminobutanal
N4-Acetylaminobutanal
ME376694
-
C05936
7.769194031
-
L-4-Hydroxyglutamate semialdehyde
-
ME376737
-
C05938
16.1961967
-
Linatine
Linatine
ME376957
-
C05939
12.931082
-
Pantothenol
Pantothenol
ME376878
-
C05944
11.72279814
-
Iridodial
Iridodial
ME376790
-
C06069
4.548110667
-
gamma-Glutamyl-beta-aminopropiononitrile
gamma-Glutamyl-beta-aminopropiononitrile
ME376860
-
C06114
9.404590522
-
3-Butynoate
3-Butynoic acid
ME376632
-
C06144
13.58527244
-
Slaframine
Slaframine
ME376928
-
C06185
10.19411393
-
Methylenediurea
Methylenediurea
ME376706
-
C06381
11.48943623
-
[FA (18:3)] 9Z,12Z,15Z-octadecatrienoic acid
alpha-Linolenic acid
ME376987
-
C06427
4.038194
-
Neuraminic acid
Neuraminic acid
ME376973
-
C06469
14.14174081
-
Muramic acid
Muramic acid
ME376946
-
C06470
14.56004399
-
epsilon-Caprolactam
Epsilon-caprolactam
ME376661
-
C06593
7.565130656
-
Proclavaminic acid
Proclavaminic acid
ME376864
-
C06658
9.970094469
-
Dihydroclavaminic acid
Dihydroclavaminic acid
ME376862
-
C06659
12.45734054
-
Diethanolamine
Diethanolamine
ME376654
-
C06772
17.57753328
-
Methacholine
Methacholine
ME376765
-
C07471
13.39166075
-
Phenylethylmalonamide
Phenylethylmalonamide
ME376879
-
C07499
9.274346246
-
Diacetylmonoxime
2,3-Butanedione monoxime
ME376641
-
C07509
9.816578553
-
Tetraethylammonium
-
ME376695
-
C07512
7.718337362
-
Alliin
Alliin
ME376814
-
C08265
8.857869466
-
L-Djenkolic acid
-
ME376949
-
C08275
16.05740289
-
Homostachydrine
(S)-Homostachydrine
ME376761
-
C08283
10.12193887
-
L-Indospicine
Indospicine
ME376802
-
C08288
21.76738892
-
Hexylamine
Hexylamine
ME376644
-
C08306
14.27209209
-
Heterodendrin
Heterodendrin
ME376965
-
C08332
4.756431526
-
Sinalbin
Sinalbin
ME377091
-
C08426
14.72411389
-
Convicine
Convicine
ME377023
-
C08430
17.95452779
-
Miserotoxin
-
ME376972
-
C08507
16.84186113
-
gamma-Undecalactone
gamma-Undecalactone
ME376827
-
C08571
4.431974214
-
Methylripariochromene A
Methylripariochromene A
ME376945
-
C09015
4.550227038
-
Precocene 2
Precocene II
ME376897
-
C09018
4.370566589
-
Herniarin
-
ME376812
-
C09268
4.368848704
-
Umbelliferone
Umbelliferone
ME376772
-
C09315
5.166991651
-
Botrydial
Botrydial
ME377032
-
C09622
4.362201517
-
3-Butylidene-7-hydroxyphthalide
Phthalide
ME376870
-
C09921
4.286725993
-
Deoxymannojirimycin
Deoxymannojirimycin
ME376778
-
C10141
15.89499526
-
Fagomine
Fagomine
ME376741
-
C10144
12.27033073
-
ent-Fisetinidol-(4beta->8)-catechin-(6->4bet...
-
ME377163
-
C10225
3.845178884
-
2,6-Dimethoxybenzoquinone
-
ME376788
-
C10331
5.115604485
-
Apiole
Apiole
ME376902
-
C10429
4.439004178
-
Eugenol methyl ether
Methyleugenol
ME376816
-
C10454
4.507315979
-
Aspidinol
Aspidinol
ME376906
-
C10673
4.650890287
-
Calystegin B2
Calystegin B2
ME376807
-
C10851
13.82100483
-
Daminozide
Daminozide
ME376767
-
C10996
7.743376414
-
Aldicarb
Aldicarb
ME376842
-
C11015
10.32359823
-
(-)-erythro-(2R,3R)-dihydroxybutylamide
-
ME376678
-
C11108
7.752969208
-
5-Methyl-2-furaldehyde
-
ME376655
-
C11115
5.072097982
-
Methomyl
Methomyl
ME376776
-
C11196
13.13440154
-
Carboxin
-
ME376922
-
C11255
4.623669034
-
CHAPS
CHAPS
ME377142
-
C11321
9.208451945
-
AMCC
N-Acetyl-S-(n-methylcarbamoyl)cysteine
ME376895
-
C11490
8.497775057
-
2 -(Butylamido)-4-hydroxybutanoic acid
-
ME376839
-
C11843
7.789227336
-
Cerulenin
Cerulenin
ME376905
-
C12058
11.28165995
-
Epothilone A
Epothilone A
ME377121
-
C12153
4.16271225
-
Chelilutine
Chelilutine
ME377075
-
C12229
12.03357357
-
Methyl5-(but-3-en-1-yl)amino-1,3,4-oxadiazole-2-ca...
-
ME376857
-
C12245
10.24504598
-
N-Acetyl-aspartyl-glutamate
N-Acetyl-Asp-Glu
ME377021
-
C12270
16.45457001
-
Novobiocic acid
Novobiocic acid
ME377081
-
C12474
13.30936381
-
glutaraldehyde
Glutaral
ME376639
-
C12518
4.527521973
-
Phenolsulfonphthalein
Phenolsulfonphthalein
ME377059
-
C12600
7.640150791
-
N2-Acetyl-L-aminoadipate
N-Acetyl-2-aminoadipic acid
ME376867
-
C12986
11.8532445
-
Phosphodimethylethanolamine
N,N-Dimethylethanolamine phosphate
ME376791
-
C13482
14.22247796
-
ZAPA
ZAPA
ME376732
-
C13695
13.89295675
-
(S)-ATPA
(S)-ATPA
ME376909
-
C13733
14.64851665
-
Octadecanamide
Stearamide
ME376994
-
C13846
4.27309201
-
[LysoPC(16:2)] 1-hexadecyl-sn-glycero-3-phosphocho...
LPC O-16:0
ME377115
-
C13903
4.949261051
-
Dibutyl phthalate
Dibutyl phthalate
ME376986
-
C14214
4.587203328
-
Di(2-ethylhexyl) adipate
Diethylhexyl adipate
ME377072
-
C14240
3.966465352
-
Furfural diethyl acetal
-
ME376796
-
C14280
4.576772664
-
4-Hexyloxyphenol
-
ME376851
-
C14305
4.451372721
-
alpha-Methylstyrene
-
ME376675
-
C14395
4.277685354
-
Cumene
Isopropylbenzene
ME376680
-
C14396
4.312791392
-
Bendiocarb
Bendiocarb
ME376904
-
C14433
4.812219701
-
Tributyl phosphate
Tributyl phosphate
ME376971
-
C14439
4.17037733
-
Tris(butoxyethyl)phosphate
-
ME377083
-
C14446
4.018606008
-
Mesitylene
-
ME376681
-
C14508
4.675000631
-
2-S-Glutathionyl acetate
-
ME377068
-
C14862
12.02039981
-
S-(Formylmethyl)glutathione
S-(Formylmethyl)glutathione
ME377057
-
C14871
12.65779995
-
Diisononyl phthalate
Diisononyl phthalate
ME377088
-
C15221
4.040480662
-
N-Acetyl-D-fucosamine
N-Acetyl-D-fucosamine
ME377166
-
C15480
12.2174146
-
N-Acetyl-D-quinovosamine
-
ME376877
-
C15481
8.167174988
-
1-(beta-D-Ribofuranosyl)-1,4-dihydronicotinamide
1-(beta-D-Ribofuranosyl)-1,4-dihydronicotinamide
ME376953
-
C15497
9.283195375
-
Corydaline
Corydaline
ME377071
-
C15530
10.90771063
-
N-Acetyl-L-citrulline
N-Acetylcitrulline
ME376890
-
C15532
12.34141817
-
1,2-Dihydroxy-5-(methylthio)pent-1-en-3-one
1,2-Dihydroxy-3-keto-5-methylthiopentene
ME376775
-
C15606
12.65270487
-
3-Dehydroteasterone
3-Dehydroteasterone
ME377102
-
C15792
3.951564598
-
4-Methylaminobutyrate
4-(Methylamino)butyric acid
ME376672
-
C15987
10.29905465
-
Riboflavin cyclic-4',5'-phosphate
-
ME377097
-
C16071
11.94980409
-
L-Pyrrolysine
-
ME376951
-
C16138
7.577925334
-
FA oxo(12:1)
Traumatin
ME376886
-
C16309
4.445129995
-
3,6-Nonadienal
3,6-Nonadienal
ME376717
-
C16323
4.585955312
-
5-Hydroxyectoine
5-Hydroxyectoine
ME376763
-
C16432
10.7184434
-
2-Phenyl-1,3-propanediol monocarbamate
-
ME376853
-
C16586
6.549262655
-
Diacetylhydrazine
-
ME376667
-
C16622
13.81207438
-
1-(3,4-dimethoxylphenyl)ethane-1,2-diol
-
ME376859
-
C16644
5.098740621
-
deacetylcolchicine
-
ME377064
-
C16712
15.06171129
-
10-oxogeranial
-
ME376786
-
C17622
4.987121338
-
allopurinol
Allopurinol
ME376712
-
D00224
8.309274223
-
1,3,5-trimethoxybenzene
1,3,5-Trimethoxybenzene
ME376789
-
D01792
4.820173971
-
1,6-diaminohexane
-
ME376668
-
-
13.42914306
-
1-deoxyxylonojirimycin
-
ME376709
-
-
16.29535563
-
1-methylguanosine
1-Methylguanosine
ME377014
-
-
10.08433097
-
1-Methylhypoxanthine
1-Methylhypoxanthine
ME376745
-
-
8.781515745
-
2-(5,6-dihydroxy-1H-indol-2-yl)-1H-indole-5,6-diol
-
ME377010
-
-
12.23275036
-
2-acetamidoglucal
-
ME376868
-
-
14.87476032
-
2-amino-3,7-dideoxy-D-threo-hept-6-ulosonate
-
ME376848
-
-
13.16488638
-
2-chlorohexadecanol
2-Chlorohexadecanol
ME376984
-
-
7.711085368
-
(2E)-2-ethylidene-4-hydroxy-5-methyl-3(2H)-furanon...
-
ME376719
-
-
5.165866597
-
2-Hydroxyadenine
2-Hydroxyadenine
ME376747
-
-
9.651497548
-
2-Methylbutyroylcarnitine
CAR 4:0;2Me
ME376935
-
-
8.220493998
-
2-nitro-1-propanol
-
ME376652
-
-
10.64540085
-
3,5,7-Trimethyl-2E,4E,6E,8E-undecatetraene
-
ME376845
-
-
4.300077352
-
3,5-dihydro-5-methylidene-4H-imidazol-4-one
-
ME376854
-
-
13.69729818
-
3-Amino-2-piperidone
3-Amino-2-piperidone
ME376663
-
-
10.81790271
-
3-amino-isobutanoic acid
3-Aminoisobutanoic acid
ME376649
-
-
5.33741862
-
3Hydroxycoumarin
-
ME376774
-
-
5.618036779
-
3-methylarginine
-
ME376835
-
-
22.20290469
-
3-nitro-2-butanol
-
ME376676
-
-
9.5489789
-
3-nitro-2-pentanol
-
ME376708
-
-
7.889943163
-
(3R)-hydroxy-N-acetyl-(L)-arginine
-
ME376920
-
-
13.20370967
-
(3S,5S)-carbapenam
-
ME376757
-
-
9.252163569
-
4,8-Dimethyl-1,3E,7-nonatriene
-
ME376746
-
-
4.352677348
-
4-hydroxycoumarin
4-Hydroxycoumarin
ME376773
-
-
6.409559038
-
4-methoxy-3-indolylmethyl-glucosinolate
4-Methoxyglucobrassicin
ME377112
-
-
15.3479499
-
5-6-Dihydrouridine
5,6-Dihydrouridine
ME376937
-
-
10.11066662
-
5-Ethyl-7-methyl-3E,5E,7E-undecatriene
-
ME376849
-
-
4.262757857
-
5-guanidino-3-methyl-2-oxo-pentanoate
-
ME376830
-
-
13.91631665
-
5-Hydroxytryptophol
5-Hydroxytryptophol
ME376815
-
-
11.89477
-
5'-methylthioformycin
-
ME377011
-
-
16.3936097
-
7,8-benzoflavone
7,8-Benzoflavone
ME376978
-
-
5.018926409
-
8-Hydroxyadenine
8-Hydroxyadenine
ME376748
-
-
12.61806683
-
9-methylthiononylhydroximoyl-cysteinylglycine
-
ME377077
-
-
13.0901372
-
a Cysteine adduct
-
ME376846
-
-
14.79944005
-
Ala-Ala-Ala
Ala-Ala-Ala
ME376917
-
-
11.22255
-
Ala-Ala-Ala-Asp
-
ME377054
-
-
14.42709912
-
Ala-Ala-Ala-Ser
-
ME377039
-
-
12.40547494
-
Ala-Ala-Gly-Arg
-
ME377073
-
-
14.82158067
-
Ala-Ala-Ser
Ala-Ala-Ser
ME376941
-
-
12.08345348
-
Ala-Asn-Ser
Ala-Asn-Ser
ME377003
-
-
16.72593815
-
Ala-Asp-Arg
Ala-Asp-Arg
ME377065
-
-
15.27726805
-
Ala-Asp-Asp
Ala-Asp-Asp
ME377040
-
-
16.63674164
-
Ala-Asp-Asp-Cys
-
ME377090
-
-
15.97647239
-
Ala-Asp-Cys
Ala-Asp-Cys
ME377025
-
-
15.71477002
-
Ala-Asp-Gly
Ala-Asp-Gly
ME376962
-
-
15.65962494
-
Ala-Gly-Pro
Ala-Gly-Pro
ME376930
-
-
10.2301722
-
Ala-Ile-Gln-Ile
-
ME377101
-
-
12.37494077
-
Ala-Leu-Gly-Arg
-
ME377086
-
-
11.31541031
-
Ala-Leu-Met-Ser
-
ME377089
-
-
9.354403977
-
Ala-Lys-Trp-Val
-
ME377128
-
-
27.93436019
-
Ala-Thr-Ala-Ala
-
ME377049
-
-
12.79442503
-
Ala-Thr-Ala-Gly
-
ME377038
-
-
17.86447211
-
Ala-Val-Asn-Asp
-
ME377087
-
-
14.04225127
-
Anthenoside A
-
ME377146
-
-
3.862978007
-
Argininicacid
Argininic acid
ME376809
-
-
15.5415865
-
Asn-Met-Cys-Pro
-
ME377106
-
-
13.00460002
-
Asn-Met-Gln-Pro
-
ME377119
-
-
9.264320713
-
Asn-Val-Asn-Ser
-
ME377094
-
-
9.272972046
-
Asp-Arg
Asp-Arg
ME376999
-
-
18.17323625
-
Aspartyl-L-proline
Asp-Pro
ME376916
-
-
15.48841654
-
Aspartylysine
Asp-Lys
ME376967
-
-
18.10020837
-
Asp-Asp-Pro
Asp-Asp-Pro
ME377053
-
-
16.11397349
-
Asp-Cys-Cys-Gln
-
ME377107
-
-
16.13150406
-
Asp-Cys-Cys-Ser
S-Glutathionyl-cysteine
ME377092
-
-
16.90631748
-
Asp-Gln
Asp-Gln
ME376964
-
-
12.39016486
-
Asp-Gln-Gln-Pro
-
ME377117
-
-
21.83424988
-
Asp-Met-Asp-Gly
-
ME377096
-
-
15.70178875
-
Asp-Pro-Ser
Asp-Pro-Ser
ME377037
-
-
13.72846813
-
Asp-Thr-Cys-Cys
-
ME377098
-
-
16.6443573
-
beta-Citryl-L-glutamic acid
Beta-Citryl-glutamic acid
ME377041
-
-
19.44565806
-
Caproylcholine
Caproylcholine
ME376863
-
-
7.863502706
-
CAPS
-
ME376899
-
-
9.263243327
-
cis-4-Octenedioicacid
-
ME376798
-
-
7.111068034
-
CPPU
-
ME376940
-
-
4.039066671
-
Cys-Cys-Gly
Cys-Cys-Gly
ME376989
-
-
15.56414998
-
Cys-Glu-Glu-Gly
-
ME377095
-
-
13.11372217
-
Cys-Leu-Met-Met
-
ME377127
-
-
12.60024841
-
Cys-Met-Met-Met
-
ME377129
-
-
11.72673025
-
Cys-Thr-Ser-Tyr
-
ME377111
-
-
12.33550156
-
D,D-diaminopimelate
-
ME376843
-
-
22.54392051
-
Deoxyhypusine
Deoxyhypusine
ME376892
-
-
23.45924988
-
Dihydro-3-hydroxy-3-(1-hydroxyethyl)-4-methylfuran...
-
ME376766
-
-
5.097076009
-
DL-Methionine sulfone
Methionine sulfone
ME376819
-
-
12.06229921
-
D,L-α-methylphosphinothricin
-
ME376852
-
-
13.83833745
-
Dopaminequinone
Dopamine quinone
ME376749
-
-
7.995103333
-
Epinephrinesulfate
Epinephrine sulfate
ME376968
-
-
13.04864818
-
Epsilon-(gamma-Glutamyl)-lysine
Epsilon-(gamma-Glutamyl)-lysine
ME376981
-
-
17.01482544
-
Ethylphosphate
Ethylphosphate
ME376688
-
-
9.612669789
-
FA (12:2)
Dodecadienoic acid
ME376855
-
-
4.494154012
-
[FA (18:1)] 9Z-octadecenamide
Oleamide
ME376991
-
-
4.304764689
-
FA (8:1)
Octenoic acid
ME376723
-
-
4.948483317
-
FA (8:1) octenal
-
ME376690
-
-
4.934886658
-
FA (9:1) nonynoic acid
-
ME376754
-
-
6.84048466
-
FA (9:2) nonadienoic acid
Nonadienoic acid
ME376753
-
-
4.543056702
-
[FA amino(14:0)] 2-amino-tetradecanoic acid
2-Aminotetradecanoic acid
ME376933
-
-
4.390016662
-
[FA hydroxy(10:0)] N-(3S-hydroxydecanoyl)-L-serine
-
ME376982
-
-
4.51593221
-
FA methyl(18:2)
-
ME377028
-
-
3.981005541
-
FA methyl(18:3)
-
ME377044
-
-
4.08107502
-
FA oxo(10:0)
-
ME376828
-
-
4.818796712
-
FA oxo(18:0)
-
ME377015
-
-
3.991707632
-
FA oxo(8:0) oxo-octanoic acid
-
ME376764
-
-
5.065559977
-
[FA oxo(8:1)] 5-oxo-7-octenoic acid
5-Oxo-7-octenoic acid
ME376760
-
-
5.017782674
-
fumigatol
-
ME376795
-
-
5.133781853
-
Gammaglutamylornithine
gamma-Glutamylornithine
ME376966
-
-
16.91712079
-
Gln-Pro
Gln-Pro
ME376931
-
-
10.60221829
-
Glu-Ala-Asp
Glu-Ala-Asp
ME377050
-
-
16.39735692
-
Glu-Ala-Glu
Glu-Ala-Glu
ME377056
-
-
15.88068449
-
Glu-Ala-Ser
Glu-Ala-Ser
ME377024
-
-
13.83178906
-
Glu-Arg
Glu-Arg
ME377020
-
-
18.24963476
-
Glu-Asn
Glu-Asn
ME376963
-
-
13.08963127
-
Glu-Asp-Cys
Glu-Asp-Cys
ME377069
-
-
16.22787764
-
Glu-Asp-Glu
Glu-Asp-Glu
ME377080
-
-
18.38444434
-
Glu-Glu-Glu
Glu-Glu-Glu
ME377084
-
-
18.25733354
-
Glu-Glu-Met-Ser
-
ME377124
-
-
12.77271652
-
Glu-Met-Ser
Glu-Met-Ser
ME377070
-
-
12.52270008
-
Glycylproline
Gly-Pro
ME376799
-
-
13.24561395
-
HEPES
-
ME376926
-
-
10.75498197
-
Hydroxybutyrylcarnitine
CAR 4:0;OH
ME376942
-
-
11.49630894
-
Hydroxypropionylcarnitine
CAR 3:0;OH
ME376921
-
-
7.623281962
-
Ile-Ala
Ile-Ala
ME376865
-
-
12.5401731
-
Ile-Gly-Lys
Ile-Gly-Lys
ME377036
-
-
19.05402747
-
Ile-Lys
Ile-Lys
ME376958
-
-
20.18805576
-
Ile-Lys-Pro
Ile-Lys-Pro
ME377063
-
-
21.00115289
-
Ile-Lys-Thr-Trp
-
ME377136
-
-
27.96824683
-
L-beta-aspartyl-L-leucine
-
ME376938
-
-
13.08025208
-
L-cysteine sulfinate
-
ME376752
-
-
14.20808343
-
Leu-Pro
Leu-Pro
ME376911
-
-
13.08977108
-
L-gamma-glutamyl-L-isoleucine
gamma-Glutamylisoleucine
ME376959
-
-
11.51487427
-
L-gamma-glutamyl-L-leucine
gamma-Glutamylleucine
ME376960
-
-
11.04763571
-
Linoleamide
Linoleamide
ME376988
-
-
4.327551351
-
L-isoleucyl-L-proline
Ile-Pro
ME376910
-
-
10.28930438
-
L-lactide
-
ME376726
-
-
5.328845539
-
Lys-Asn
Lys-Asn
ME376961
-
-
14.76756795
-
LysoPC(18:1)
LPC 18:1
ME377131
-
-
4.768512503
-
LysoPE(16:0)
LPE 16:0
ME377103
-
-
4.900151432
-
Lys-Val
Lys-Val
ME376936
-
-
21.82256353
-
Met-Cys-Cys
Met-Cys-Cys
ME377060
-
-
17.81527761
-
methyl pyruvate
Methyl pyruvate
ME376646
-
-
5.163636712
-
Met-Phe-Gly
Met-Phe-Gly
ME377058
-
-
11.63485161
-
MG(0:0/16:0/0:0)
MG 0:0/16:0/0:0
ME377048
-
-
4.166159159
-
N2-N2-Dimethylguanosine
N2,N2-Dimethylguanosine
ME377033
-
-
8.870744069
-
N-(3-hydroxybutanoyl)-L-homoserine
-
ME376876
-
-
7.698289964
-
N4-Acetylcytidine
N4-Acetylcytidine
ME376996
-
-
8.49384521
-
N-Acetyl-a-neuraminicacid
N-Acetylneuraminic acid
ME377030
-
-
15.91194414
-
N-acetyl-demethylphophinothricin
-
ME376880
-
-
10.30586674
-
N-Acetylvanilalanine
N-Acetylvanilalanine
ME376948
-
-
8.044136325
-
N-Carboxyethyl-g-aminobutyricacid
N-Carboxyethyl-gamma-aminobutyric acid
ME376808
-
-
9.822885344
-
N-Decanoylglycine
N-Decanoylglycine
ME376913
-
-
4.952493368
-
N-dimethylethanolamine
-
ME376636
-
-
16.02281943
-
N-eicosanoyl-ethanolamine
Eicosanoyl-EA
ME377062
-
-
4.819523591
-
N-Heptanoylglycine
N-Heptanoylglycine
ME376831
-
-
5.202763367
-
N-hydroxyisoleucine
N-hydroxyisoleucine
ME376740
-
-
10.73148926
-
nicotinamide riboside
Nicotinamide riboside
ME376950
-
-
22.23450928
-
N,N-dihydroxyisoleucine
-
ME376777
-
-
7.741863069
-
N,N-dihydroxyvaline
-
ME376743
-
-
10.03060968
-
Norepinephrinesulfate
Norepinephrine sulfate
ME376943
-
-
18.55883348
-
N-succinyl-L-citrulline
N(2)-Succinyl-citrulline
ME376979
-
-
8.296677695
-
N-Succinyl-L-L-2-6-diaminopimelate
-
ME377002
-
-
13.89535767
-
N-Undecanoylglycine
N-Undecanoylglycine
ME376932
-
-
4.807904663
-
Palmiticamide
Palmitamide
ME376952
-
-
4.379090698
-
p-aminobenzoate-β-D-glucopyranosyl ester
-
ME377016
-
-
16.61525742
-
p-aminobenzoyl glutamate
4-Aminobenzoylglutamic acid
ME376970
-
-
14.07804088
-
[PC(16:1)] 1-(9E-hexadecenoyl)-sn-glycero-3-phosph...
-
ME377122
-
-
7.634133233
-
PC(34:1)
PC 34:1
ME377153
-
-
4.112526969
-
PC(34:2)
PC 34:2
ME377152
-
-
4.126407127
-
PC(36:2)
PC 36:2
ME377157
-
-
4.102366662
-
PC(38:4)
PC 38:4
ME377161
-
-
4.072424062
-
[PC acety] 1-acetyl-sn-glycero-3-phosphocholine
-
ME377017
-
-
11.13075977
-
[PC acetyl(3:0)] 1-propionyl-2-acetyl-sn-glycero-3...
-
ME377061
-
-
4.536550056
-
[PC diacetyl(2:0)] 2,3-diacetyl-sn-glycero-1-phosp...
-
ME377051
-
-
4.691997782
-
P-DPD
-
ME376885
-
-
13.2768208
-
Phe-Gly
Phe-Gly
ME376903
-
-
11.48665557
-
[PI(36:0)
PI 36:0
ME377164
-
-
3.82920138
-
PIPES
-
ME377019
-
-
14.19212594
-
Pro-Arg-His
Pro-Arg-His
ME377085
-
-
26.27171997
-
PS(34:1)
PS 34:1
ME377154
-
-
3.834297223
-
PS(36:1)
PS 36:1
ME377159
-
-
3.800684717
-
PS(36:2)
PS 36:2
ME377158
-
-
3.821459749
-
psicoselysine
Psicosyllysine
ME377027
-
-
16.76331482
-
(R)-piperazine-2-carboxylate
(R)-Piperazine-2-carboxylic acid
ME376697
-
-
12.71947162
-
(R)-piperidine-3-carboxylate
-
ME376693
-
-
11.26250802
-
SM(d32:1)
SM 32:1;O2
ME377145
-
-
4.422518285
-
SM(d34:1)
SM 34:1;O2
ME377147
-
-
4.355681661
-
[SP (14:0)] 1-deoxy-tetradecasphinganine
Xestoaminol C
ME376914
-
-
7.620489299
-
SP (4:0)
-
ME376985
-
-
4.393316711
-
[SP dimethyl,amino(18:0/2:0)] 2S-dimethylaminoocta...
N,N-Dimethyl-Safingol
ME377047
-
-
5.056221918
-
Sphinganine(d17:0)
C17 Sphinganine
ME376998
-
-
4.653600647
-
trans-3-Octenedioic acid
-
ME376797
-
-
12.0012133
-
trans,trans-hepta-2,4,6-trienoic acid
-
ME376687
-
-
4.478527798
-
triethyl phosphate
Triethyl phosphate
ME376821
-
-
4.470411336
-
Trimethylaminoacetone
Trimethylaminoacetone
ME376666
-
-
28.28709326
-
ubiquinol-1
-
ME376947
-
-
4.417577065
-
Val-Val
Val-Val
ME376889
-
-
13.52983458
-
α-(2,6-anhydro-3-deoxy-D-arabino-heptulopyranosid...
-
ME376976
-
-
16.19803475
-
γ-glutamyl-L-alaninol
-
ME376872
-
-
12.06337925
-
γ-glutamyl-S-t-propenylcysteine
-
ME377000
-
-
11.46862776
-
Analysis: HILIC NEGATIVE ION MODE
Select
Metabolite Name
RefMet Name/Standardized Name*
WorkBenchMetabolite_ID
PubChemCompound_ID
Kegg Id
Retentiontime/index
m/z ratio
ATP
ATP
ME377541
-
C00002
16.14265137
-
ADP
ADP
ME377525
-
C00008
15.01172952
-
Orthophosphate
Phosphoric acid
ME377179
-
C00009
15.31671407
-
UDP
UDP
ME377518
-
C00015
16.2605612
-
Pyruvate
Pyruvic acid
ME377170
-
C00022
9.471685954
-
Succinate
Succinic acid
ME377209
-
C00042
14.94429061
-
L-Aspartate
Aspartic acid
ME377237
-
C00049
14.89925997
-
UDP-D-galactose
UDP-galactose
ME377550
-
C00052
16.13719304
-
CMP
CMP
ME377472
-
C00055
15.15714993
-
Ascorbate
Vitamin C
ME377319
-
C00072
14.28491249
-
Phosphoenolpyruvate
Phosphoenolpyruvic acid
ME377293
-
C00074
17.24905843
-
UTP
UTP
ME377537
-
C00075
17.37376176
-
D-Fructose 6-phosphate
Fructose 6-phosphate
ME377417
-
C00085
15.98252085
-
Sucrose
Sucrose
ME377494
-
C00089
15.18990527
-
D-Glucose 6-phosphate
Glucose 6-phosphate
ME377418
-
C00092
16.68186446
-
sn-Glycerol 3-phosphate
sn-Glycero-3-phosphate
ME377299
-
C00093
14.83598999
-
D-Fructose
Fructose
ME377326
-
C00095
13.50948792
-
UMP
UMP
ME377473
-
C00105
15.18642225
-
Uracil
Uracil
ME377196
-
C00106
8.489572001
-
2-Oxobutanoate
3-Methyl pyruvic acid
ME377186
-
C00109
15.09939071
-
Glycerone phosphate
Dihydroxyacetone phosphate
ME377297
-
C00111
15.90711253
-
CDP
CDP
ME377517
-
C00112
16.78390266
-
Glycerol
Glycerol
ME377177
-
C00116
10.41365535
-
D-Ribose
Ribose
ME377260
-
C00121
14.56852758
-
L-Leucine
Leucine
ME377233
-
C00123
10.93061475
-
D-Galactose
Galactose
ME377324
-
C00124
12.80691606
-
IMP
IMP
ME377499
-
C00130
15.38906937
-
Adenine
Adenine
ME377239
-
C00147
9.289942708
-
(S)-Malate
Malic acid
ME377238
-
C00149
15.69757524
-
Citrate
Citric acid
ME377347
-
C00158
17.74632674
-
Hydroxypyruvate
Hydroxypyruvic acid
ME377188
-
C00168
15.44991927
-
Benzoate
Benzoic acid
ME377213
-
C00180
7.668812073
-
(S)-Lactate
Lactic acid
ME377175
-
C00186
9.626047974
-
L-Threonine
Threonine
ME377559
-
C00188
14.52487
-
UDP-D-xylose
UDP-D-xylose
ME377543
-
C00190
16.01651662
-
3-Phospho-D-glycerate
3-Phosphoglyceric acid
ME377330
-
C00197
16.68918183
-
UDP-N-acetyl-D-galactosamine
UDP-N-acetylgalactosamine
ME377553
-
C00203
14.86268472
-
Oxalate
Oxalic acid
ME377174
-
C00209
17.28566667
-
D-Glucose
Glucose
ME377325
-
C00221
14.52960067
-
3-Oxopropanoate
Malonic semialdehyde
ME377171
-
C00222
14.42163603
-
4-Methyl-2-oxopentanoate
Ketoleucine
ME377230
-
C00233
7.671834676
-
Taurine
Taurine
ME377216
-
C00245
14.87036184
-
Butanoic acid
Butyric acid
ME377172
-
C00246
7.678507304
-
Hexadecanoic acid
Palmitic acid
ME377411
-
C00249
3.993745341
-
(R)-Lactate
Lactic acid
ME377176
-
C00256
14.34220345
-
D-Gluconic acid
Gluconic acid
ME377356
-
C00257
14.08806246
-
N-Acetylneuraminate
N-Acetylneuraminic acid
ME377463
-
C00270
13.62687843
-
Orotate(Fragment)
Orotic acid
ME377195
-
C00295
12.89283146
-
2-Oxoadipate
Oxoadipic acid
ME377276
-
C00322
7.726857361
-
6-Phospho-D-gluconate
6-Phosphogluconic acid
ME377431
-
C00345
17.38383344
-
Ethanolamine phosphate
Phosphoethanolamine
ME377246
-
C00346
15.92649057
-
D-Fructose 1,6-bisphosphate
Fructose 1,6-bisphosphate
ME377491
-
C00354
17.74286109
-
dGDP
dGDP
ME377524
-
C00361
16.13486561
-
dGMP
dGMP
ME377498
-
C00362
14.84340295
-
Xanthine
Xanthine
ME377262
-
C00385
11.29727061
-
Cyclohexanone
Cyclohexanone
ME377180
-
C00414
4.497008341
-
cis-Aconitate
cis-Aconitic acid
ME377310
-
C00417
17.48477758
-
5-Aminolevulinate
5-Amino-levulinic acid
ME377232
-
C00430
13.14806673
-
2,5-Dioxopentanoate
-
ME377228
-
C00433
11.20187272
-
L-Aspartate 4-semialdehyde
Aspartate-semialdehyde
ME377206
-
C00441
10.58923669
-
D-Sedoheptulose 1,7-bisphosphate
Sedoheptulose 1,7-bisphosphate
ME377510
-
C00447
17.96554175
-
dCTP
dCTP
ME377531
-
C00458
17.03448597
-
dTTP
dTTP
ME377534
-
C00459
15.71841236
-
Indole
Indole
ME377207
-
C00463
11.64288572
-
D-Xylonate
Xylonic acid
ME377288
-
C00502
13.53007865
-
L-Cysteate
Cysteic acid
ME377294
-
C00506
15.32126251
-
Hypotaurine
Hypotaurine
ME377192
-
C00519
15.00975389
-
CDP-ethanolamine
CDP-Ethanolamine
ME377528
-
C00570
16.28152093
-
2-Hydroxy-2,4-pentadienoate
2-Hydroxypenta-2,4-dienoic acid
ME377199
-
C00596
14.71170471
-
N-Acetyl-L-glutamate
N-Acetylglutamic acid
ME377339
-
C00624
14.10667393
-
beta-D-Fructose 2,6-bisphosphate
Fructose 2,6-bisphosphate
ME377490
-
C00665
16.09332424
-
(S)-3-Methyl-2-oxopentanoic acid
(S)-3-Methyl-2-oxopentanoic acid
ME377229
-
C00671
5.010548035
-
[FA (18:1)] 9Z-octadecenoic acid
Oleic acid
ME377436
-
C00712
3.957217997
-
Bergaptol
Bergaptol
ME377361
-
C00758
15.15813802
-
[PR] Tretinoin/All-Trans Retinoic Acid
Retinoic acid
ME377455
-
C00777
4.172041633
-
D-Cysteine
D-Cysteine
ME377212
-
C00793
16.19196801
-
D-Sorbitol
Sorbitol
ME377560
-
C00794
13.97442161
-
D-Glucarate
Glucaric acid
ME377368
-
C00818
16.82781956
-
4-Pyridoxate
4-Pyridoxic acid
ME377328
-
C00847
4.923417446
-
2-Acetolactate
2-Acetolactate
ME377235
-
C00900
7.675050008
-
5,6-Dihydrothymine
Dihydrothymine
ME377222
-
C00906
12.34921134
-
CoA-glutathione
Glutathionyl-CoA
ME377544
-
C00920
16.76141671
-
2,3-Dimethylmaleate
Dimethyl maleate
ME377247
-
C00922
7.671819356
-
2-Oxoglutaramate
2-Keto-glutaramic acid
ME377252
-
C00940
8.482815092
-
2-Phosphoglycolate
Phosphoglycolic acid
ME377266
-
C00988
16.706225
-
N-Acetyl-L-aspartate
N-Acetylaspartic acid
ME377317
-
C01042
14.49920645
-
D-Ribitol 5-phosphate
D-Ribitol 5-phosphate
ME377394
-
C01068
15.56357218
-
(R)-3-Hydroxybutanoate
3R-Hydroxybutyric acid
ME377189
-
C01089
9.470624593
-
8-Amino-7-oxononanoate
8-Amino-7-oxononanoic acid
ME377334
-
C01092
7.67793398
-
D-Ribose 1,5-bisphosphate
Ribose 1,5-bisphosphate
ME377464
-
C01151
16.39084718
-
Pseudouridine 5'-phosphate
-
ME377474
-
C01168
16.19543194
-
Palmitoylglycerone phosphate
-
ME377520
-
C01192
4.936491648
-
sn-glycero-3-Phospho-1-inositol
sn-Glycero-3-phosphoinositol
ME377484
-
C01225
15.97915562
-
XDP
XDP
ME377527
-
C01337
17.36976386
-
3'-UMP
3'-UMP
ME377475
-
C01368
17.40245802
-
Maleic acid
Maleic acid
ME377202
-
C01384
14.63311532
-
Cys-Gly
Cys-Gly
ME377322
-
C01419
10.93817503
-
Ferulate
trans-Ferulic acid
ME377353
-
C01494
7.56673999
-
Octadecanoic acid
Stearic acid
ME377438
-
C01530
3.944961995
-
2-Furoate
2-Furoic acid
ME377194
-
C01546
7.739191366
-
Decanoic acid
Capric acid
ME377307
-
C01571
4.32746932
-
Hexanoic acid
Caproic acid
ME377204
-
C01585
5.059973979
-
Linoleate
Linoleic acid
ME377434
-
C01595
3.966411336
-
Maleamate
Maleamate
ME377201
-
C01596
7.670430033
-
Phthalate
Phthalic acid
ME377286
-
C01606
11.83530668
-
[FA trihydroxy(4:0)] 2,3,4-trihydroxy-butanoic aci...
Threonic acid
ME377240
-
C01620
12.25101066
-
Mesaconate
Mesaconic acid
ME377227
-
C01732
12.23963334
-
Xanthosine
Xanthosine
ME377437
-
C01762
12.79970423
-
1,4-Lactone
gamma-Butyrolactone
ME377169
-
C01770
14.39494583
-
2-Butenoate
Crotonic acid
ME377168
-
C01771
14.77047742
-
5-Oxoproline
Pyroglutamic acid
ME377226
-
C01879
10.2246547
-
3-Ethylmalate
-
ME377282
-
C01989
14.23173136
-
Pseudouridine
Pseudouridine
ME377403
-
C02067
11.9812421
-
Retinyl ester
Retinyl ester
ME377459
-
C02075
4.26694786
-
4-Nitroaniline
4-Nitroaniline
ME377241
-
C02126
7.682416646
-
Glycyl-leucine
Gly-Leu
ME377337
-
C02155
8.242681841
-
Methylmalonate
Methylmalonic acid
ME377208
-
C02170
13.5361193
-
Phenol sulfate
Phenyl hydrogen sulfate
ME377308
-
C02180
4.954058765
-
beta-Alanopine
-
ME377273
-
C02207
8.037188869
-
8-Oxocoformycin
-
ME377435
-
C02243
8.391035843
-
D-Xylonolactone
D-Xylono-1,5-lactone
ME377259
-
C02266
14.89042192
-
2-Hydroxymalonate
Hydroxypropanedioic acid
ME377211
-
C02287
16.73589712
-
(S)(+)-Allantoin
Allantoin
ME377268
-
C02350
13.64710156
-
2',3'-Cyclic UMP
2',3' cyclic UMP
ME377460
-
C02355
10.47932317
-
4-Methylpentanal
4-Methylpentanal
ME377184
-
C02373
4.322779968
-
(R)-2-Ethylmalate
-
ME377283
-
C02488
13.86726538
-
2-Butyne-1,4-diol
But-2-yne-1,4-diol
ME377167
-
C02497
17.6896866
-
(2S)-2-Isopropylmalate
2-Isopropylmalic acid
ME377320
-
C02504
10.16332263
-
[ST hydrox] 3alpha,7alpha-Dihydroxy-5beta-cholan-2...
Chenodeoxycholic acid
ME377514
-
C02528
4.926990234
-
O-Acetylcarnitine
CAR 2:0
ME377363
-
C02571
7.674932251
-
Pyrimidodiazepine
-
ME377386
-
C02587
4.442262268
-
2-Isopropylmaleate
Isopropylmaleate
ME377269
-
C02631
7.666360758
-
[FA (7:0/2:0)] Heptanedioic acid
Pimelic acid
ME377277
-
C02656
7.663938761
-
Dodecanedioic acid
Dodecanedioic acid
ME377392
-
C02678
5.062006632
-
Dodecanoic acid
Lauric acid
ME377358
-
C02679
4.144995992
-
N-Acetylmethionine
N-Acetylmethionine
ME377345
-
C02712
7.668284724
-
3-Methyleneoxindole
3-Methyleneoxindole
ME377253
-
C02796
10.16316199
-
3-Phosphonopyruvate
-
ME377292
-
C02798
13.25204578
-
5-Hydroxypentanoate
5-Hydroxyvaleric acid
ME377210
-
C02804
7.672456034
-
Propanoyl phosphate
Propanoyl phosphate
ME377263
-
C02876
11.86738188
-
L-Fucose 1-phosphate
Fucose 1-phosphate
ME377402
-
C02985
13.87781118
-
L-Rhamnono-1,4-lactone
L-Rhamnono-1,4-lactone
ME377281
-
C02991
14.66748006
-
2-Oxohept-3-enedioate
-
ME377300
-
C03063
10.58891988
-
5-Acetamidopentanoate
5-Acetamidovaleric acid
ME377274
-
C03087
7.659908732
-
N-Formyl-L-methionine
N-Formylmethionine
ME377321
-
C03145
7.67802503
-
Phosphonoacetaldehyde
Phosphonoacetaldehyde
ME377215
-
C03167
15.01304025
-
3-Indoleglycolaldehyde
-
ME377318
-
C03230
4.914512973
-
Glycerophosphoglycerol
sn-Glycero-3-phosphoglycerol
ME377406
-
C03274
12.97968004
-
Nalpha-Methylhistidine
N-Methylhistidine
ME377296
-
C03298
13.20778978
-
2,3,5-Trihydroxytoluene
2,3,5-Trihydroxytoluene
ME377244
-
C03338
7.174590698
-
2-Ethylhexyl phthalate
Monoethylhexyl phthalic acid
ME377433
-
C03343
4.042850675
-
4-Phospho-D-erythronate
-
ME377375
-
C03393
17.006889
-
N-Glycoloyl-neuraminate
N-Glycoloylneuraminic acid
ME377476
-
C03410
14.33940746
-
L-2-Amino-3-oxobutanoic acid
L-2-Amino-3-oxobutanoic acid
ME377205
-
C03508
14.16448865
-
4-Hydroxyphenylglyoxylate
-
ME377287
-
C03590
16.87918616
-
1-O-Methyl-myo-inositol
-
ME377354
-
C03659
13.62115995
-
Pyridine-2,3-dicarboxylate
Quinolinic acid
ME377291
-
C03722
14.98474208
-
gamma-L-Glutamyl-D-alanine
gamma-L-Glutamyl-D-alanine
ME377381
-
C03738
14.89814279
-
N-Acetyl-D-mannosaminolactone
N-Acetylmannosaminolactone
ME377384
-
C03776
13.82265315
-
Adenosine 5'-phosphoramidate
-
ME377496
-
C03851
9.454588428
-
(S)-1-Pyrroline-5-carboxylate
1-Pyrroline-5-carboxylic acid
ME377198
-
C03912
14.78011182
-
Diethyl 2-methyl-3-oxosuccinate
4-Heptenal diethyl acetal
ME377362
-
C04067
7.678794027
-
S-Methyl-5-thio-D-ribose 1-phosphate
5-Methylthioribose 1-phosphate
ME377416
-
C04188
12.60131658
-
N-(2,3-Dihydroxybenzoyl)-L-serine
N-(2,3-Dihydroxybenzoyl)-L-serine
ME377398
-
C04204
19.47473619
-
(2S)-2-Isopropyl-3-oxosuccinate
2-Isopropyl-3-oxosuccinate
ME377311
-
C04236
8.818225342
-
3,5/4-Trihydroxycyclohexa-1,2-dione
Oxoadipic acid
ME377275
-
C04287
9.807034302
-
D-myo-Inositol 1,2-cyclic phosphate
Inositol cyclic phosphate
ME377399
-
C04299
14.24787265
-
5'-Phosphoribosyl-N-formylglycinamide
FGAR
ME377467
-
C04376
15.08304587
-
S-Adenosyl-4-methylthio-2-oxobutanoate
S-Adenosyl-4-methylthio-2-oxobutanoate
ME377516
-
C04425
11.62097623
-
2-Hydroxy-6-oxonona-2,4-diene-1,9-dioate
-
ME377372
-
C04479
13.2315179
-
2,7-Anhydro-alpha-N-acetylneuraminic acid
N-Acetyl-2,7-anhydro-alpha-neuraminic acid
ME377446
-
C04521
13.36428412
-
(3S,4S)-3-Hydroxytetradecane-1,3,4-tricarboxylate
-
ME377497
-
C04529
4.619158868
-
N4-(Acetyl-beta-D-glucosaminyl)asparagine
Aspartylglycosamine
ME377485
-
C04540
14.7101014
-
(R)-3-((R)-3-Hydroxybutanoyloxy)butanoate
-
ME377341
-
C04546
13.02593673
-
4-Amino-2-methyl-5-phosphomethylpyrimidine
4-Amino-2-methyl-5-phosphomethylpyrimidine
ME377383
-
C04556
14.51640552
-
Indol-3-ylacetyl-myo-inositol L-arabinoside
Indol-3-ylacetyl-myo-inositol L-arabinoside
ME377532
-
C04611
15.22297355
-
(1S,4S)-4-Hydroxy-3-oxocyclohexane-1-carboxylate
-
ME377270
-
C04670
12.93601599
-
1-(5'-Phosphoribosyl)-5-amino-4-imidazolecarboxami...
AICAR
ME377487
-
C04677
15.07664176
-
(1S,3R,4S)-3,4-Dihydroxycyclohexane-1-carboxylate
-
ME377278
-
C04687
13.24773397
-
2-(Hydroxymethyl)-3-(acetamidomethylene)succinate
-
ME377379
-
C04690
19.48405541
-
2-Hydroxyethanesulfonate
2-Hydroxyethanesulfonate
ME377217
-
C05123
10.58267265
-
Dimethyl citraconate
-
ME377271
-
C05126
5.055022013
-
D-Sedoheptulose 7-phosphate
D-Sedoheptulose 7-phosphate
ME377444
-
C05382
16.12777247
-
[ST hydrox] N-(3alpha,7alpha-dihydroxy-5beta-chola...
Taurochenodeoxycholic acid
ME377540
-
C05465
4.486717515
-
6-Acetamido-2-oxohexanoate
2-Keto-6-acetamidocaproic acid
ME377333
-
C05548
12.14681532
-
Hydantoin-5-propionate
Hydantoin-5-propionic acid
ME377302
-
C05565
8.91183336
-
3-Methoxy-4-hydroxyphenylacetaldehyde
Homovanillin
ME377289
-
C05581
4.636168035
-
homovanillate
Homovanillic acid
ME377327
-
C05582
8.764984042
-
hydrogen iodide
-
ME377219
-
C05590
9.943008667
-
Phenylacetylglycine
Phenylacetylglycine
ME377351
-
C05598
7.670230199
-
5-Hydroxyferulate
-
ME377369
-
C05619
7.664712917
-
Formylanthranilate
Formylanthranilic acid
ME377284
-
C05653
15.11830058
-
3'-Phosphoadenylylselenate
3-Phosphoadenylylselenate
ME377549
-
C05696
16.11297223
-
[FA amino(4:0)] 2-amino-4-cyano-butanoic acid
-
ME377223
-
C05717
9.088949361
-
S-Sulfo-L-cysteine
Cysteine-S-sulfate
ME377359
-
C05824
16.42152428
-
N-Carbamyl-L-glutamate
Carglumic acid
ME377340
-
C05829
16.41520323
-
Phenylethyl alcohol
2-Phenylethanol
ME377214
-
C05853
4.78092373
-
(S)-2-Aceto-2-hydroxybutanoate
Acetohydroxybutyric acid
ME377255
-
C06006
7.681012004
-
(S)-2-Acetolactate
(S)-2-Acetolactate
ME377234
-
C06010
14.37657735
-
5-Pyridoxolactone
5-Pyridoxolactone
ME377285
-
C06052
15.47466593
-
[SP] Sphing-4-enine-1-phosphate
Sphingosine 1-phosphate
ME377512
-
C06124
5.17706063
-
alpha-D-Glucosamine 1-phosphate
Glucosamine 1-phosphate
ME377415
-
C06156
15.27707612
-
Arbutin
Arbutin
ME377428
-
C06186
7.665501166
-
1(2H)-Isoquinolinone
-
ME377254
-
C06324
10.90868651
-
Chelirubine
Chelirubine
ME377505
-
C06327
12.37690684
-
Propyl cinnamate
Propyl cinnamate
ME377342
-
C06360
4.268632018
-
[FA (8:0)] octanoic acid
Caprylic acid
ME377250
-
C06423
7.627878011
-
FA (8:0) octanoic acid
Caprylic acid
ME377251
-
C06423
4.611787374
-
Tetradecanoic acid
Myristic acid
ME377390
-
C06424
28.58597314
-
FA (20:0)
Arachidic acid
ME377466
-
C06425
3.897189331
-
Hydroxymethylphosphonate
Hydroxymethylphosphonic acid
ME377193
-
C06455
14.56972366
-
6-Methylpretetramide
6-Methylpretetramide
ME377507
-
C06629
12.02179294
-
5,6-Dihydroxy-3-methyl-2-oxo-1,2-dihydroquinoline
-
ME377344
-
C06725
10.43781675
-
Diacetylmonoxime
2,3-Butanedione monoxime
ME377185
-
C07509
7.56696464
-
Ursodiol
Ursodeoxycholic acid
ME377515
-
C07880
7.660291402
-
Suberic acid
Suberic acid
ME377315
-
C08278
12.50272461
-
Docosanoic acid
Behenic acid
ME377493
-
C08281
3.877411111
-
[FA (22:1)] 13Z-docosenoic acid
cis-Erucic acid
ME377489
-
C08316
3.86192857
-
Tetracosanoic acid
Lignoceric acid
ME377509
-
C08320
3.854880646
-
Tentoxin
Tentoxin
ME377522
-
C08441
4.173416697
-
Ethyl 2-methylbut-2-enoate
Ethyl tiglate
ME377225
-
C08487
5.068705302
-
Miroestrol
-
ME377502
-
C08831
14.57551927
-
Bakkenolide A
Bakkenolide A
ME377397
-
C09350
4.280582619
-
alpha-Irone
alpha-Irone
ME377367
-
C09690
4.290403341
-
Phytuberin
Phytuberin
ME377447
-
C09709
4.12605599
-
Glepidotin B
Glepidotin B
ME377492
-
C09753
10.21319927
-
Arecoline
Arecoline
ME377265
-
C10129
7.614516663
-
Embelin
Embelin
ME377448
-
C10342
7.554283976
-
Carpacin
Carpacin
ME377349
-
C10435
4.716162081
-
Crinasiatine
-
ME377504
-
C10584
8.291527685
-
Zinnimidine
Zinnimidine
ME377421
-
C10626
7.631970052
-
Antiarol
-
ME377329
-
C10765
4.493443674
-
2,6-Dimethoxyphenol
-
ME377264
-
C10787
4.63927756
-
[FA (14:0/2:0)] Tetradecanedioic acid
Tetradecanedioic acid
ME377413
-
C11002
7.637815328
-
2'-Deoxy-5-hydroxymethylcytidine-5'-diphosphate
-
ME377523
-
C11038
15.32275425
-
Dichloroacetate
Dichloroacetic acid
ME377220
-
C11149
7.635395864
-
CCCP
CCCP
ME377364
-
C11164
7.675643073
-
2(alpha-D-Mannosyl)-D-glycerate
2-(alpha-D-mannosyl)-D-glyceric acid
ME377425
-
C11544
14.72399703
-
8-Epiiridodial glucoside
8-Epiiridodial glucoside
ME377480
-
C11656
7.621060726
-
Gabaculine
-
ME377242
-
C12110
8.255389719
-
5-Hydroxyconiferaldehyde
5-Hydroxyconiferaldehyde
ME377352
-
C12204
5.005529317
-
Kinobscurinone
Kinobscurinone
ME377461
-
C12391
12.65853331
-
Stealthin C
Stealthin C
ME377462
-
C12392
14.37991134
-
p-Phenolsulfonic acid
4-Hydroxybenzenesulfonic acid
ME377309
-
C12849
6.210463485
-
Cyclic ADP-ribose
Cyclic ADP-ribose
ME377545
-
C13050
14.29682643
-
Phosphodimethylethanolamine
N,N-Dimethylethanolamine phosphate
ME377295
-
C13482
14.99522358
-
(S)-AMPA
Ampa
ME377331
-
C13672
14.35290833
-
(R)-AMAA
-
ME377301
-
C13739
15.30533171
-
Tributyrin
TG 4:0/4:0/4:0
ME377458
-
C13870
4.913087972
-
Sulfoacetate
Sulfoacetic acid
ME377243
-
C14179
17.4938265
-
Aurin
Aurin
ME377445
-
C14213
11.45428323
-
Octane-1,8-diol
-
ME377257
-
C14218
5.019933336
-
[FA hydroxy(18:2)] 13S-hydroxy-9Z,11E-octadecadien...
13S-HODE
ME377449
-
C14762
4.073465273
-
[FA hydroxy(18:1)] 9,10-dihydroxy-12Z-octadecenoic...
9,10-DiHOME
ME377468
-
C14828
4.257981283
-
[FA trihydroxy(18:1)] 9S,12S,13S-trihydroxy-10E-oc...
9,12,13-TriHOME
ME377481
-
C14833
4.75266393
-
2,3-Dihydroxycyclopentaneundecanoic acid
-
ME377440
-
C14987
4.971973917
-
Traumatic acid
Traumatic acid
ME377389
-
C16308
4.932743347
-
3-Hexenal
3-Hexenal
ME377181
-
C16310
7.66548936
-
N,N'-Dimethylurea
N,N-Dimethylurea
ME377173
-
C16364
14.4228196
-
[FA (20:1)] 11Z-eicosenoic acid
cis-Gondoic acid
ME377465
-
C16526
3.91317358
-
2-oxosuberate
-
ME377335
-
C16589
7.697252686
-
5-Phenyl-1,3-oxazinane-2,4-dione
-
ME377343
-
C16596
4.852204774
-
formyl-isoglutamine
-
ME377314
-
C16674
14.24003522
-
allylcysteine
S-Allylcysteine
ME377280
-
C16759
7.661654239
-
10-hydroxygeraniol
-
ME377298
-
C17621
4.31835201
-
13-14-DihydroPGF-1a
-
ME377503
-
-
4.250531091
-
1,9S,11R,15S-tetrahydroxy-13E-prostaene
-
ME377495
-
-
4.049428956
-
1-Methylhypoxanthine
1-Methylhypoxanthine
ME377261
-
-
11.62551172
-
2-6-10-Trimethylundecanoicacid
-
ME377391
-
-
4.054465983
-
2-amino-3,7-dideoxy-D-threo-hept-6-ulosonate
-
ME377346
-
-
12.82731806
-
2-isocapryloyl-3R-hydroxymethyl-γ-butyrolactone
-
ME377400
-
-
4.651555339
-
2-Octenedioicacid
2-Octenedioic acid
ME377304
-
-
7.656584066
-
2-oxobut-3-enanoate
-
ME377182
-
-
7.591639343
-
2S-Hydroxy-2-isopropylbutano-3S-lactone
2S-Hydroxy-2-isopropylbutano-3S-lactone
ME377249
-
-
4.438991994
-
3-Acetyldihydro-2(3H)-furanone
-
ME377221
-
-
4.235156677
-
3'-dAMP
-
ME377482
-
-
13.27557348
-
3-deoxy-D-galactose
3-Deoxygalactose
ME377290
-
-
11.35285165
-
3-Hydroxysebacicacid
3-Hydroxysebacic acid
ME377382
-
-
7.679322754
-
3-Hydroxytetradecanedioicacid
3-Hydroxy-tetradecanedioic acid
ME377430
-
-
5.11733794
-
3-oxopimelic acid
-
ME377312
-
-
5.215585999
-
4-hydroxy-5-methyl-2-propyl-3(2H)-furanone
-
ME377267
-
-
4.431527344
-
4-oxo-4-(3-pyridyl)-butanoate
-
ME377323
-
-
8.303609551
-
7,8-diketopelargonate
-
ME377332
-
-
4.437736013
-
7,8-H2pterin-6-ylmethyl-l-(4-aminophenyl)-1-deoxy-...
-
ME377535
-
-
14.51320555
-
7E,9E,11-Dodecatrienyl acetate
7E,9E,11-Dodecatrienyl acetate
ME377387
-
-
4.957302002
-
7-Prenyloxy-3',4'-dimethoxyisoflavone
-
ME377508
-
-
4.325626628
-
8-Hydroxyguanosine
8-Hydroxyguanosine
ME377453
-
-
11.22496165
-
Ala-Ala-Gly
Ala-Ala-Gly
ME377380
-
-
12.98633497
-
Ala-Gly-Ser
Ala-Gly-Ser
ME377395
-
-
13.02747769
-
Ala-Leu-Trp-Arg
-
ME377546
-
-
23.4537618
-
Ala-Met-Phe-Asp
-
ME377536
-
-
12.55741059
-
Arg-Leu-Lys-Thr
-
ME377542
-
-
14.17100938
-
Arg-Leu-Thr-Tyr
-
ME377548
-
-
17.50221346
-
Asn-Asp-Asp-Pro
-
ME377529
-
-
14.7266237
-
Asn-Cys-Cys
Asn-Cys-Cys
ME377488
-
-
14.61844692
-
Asn-Gly-Pro
Asn-Gly-Pro
ME377439
-
-
12.96982498
-
Asn-Lys-Ser-Ser
-
ME377526
-
-
12.43184179
-
Asp-Gln
Asp-Gln
ME377420
-
-
14.41398765
-
bacteriopheophytin a
Bacteriopheophytin a
ME377558
-
-
3.817611472
-
Biotinsulfone
Biotin sulfone
ME377432
-
-
12.72028758
-
Capryloylglycine
Capryloylglycine
ME377360
-
-
5.075337081
-
carbidopa
-
ME377388
-
-
8.384026379
-
cis-4-Octenedioicacid
-
ME377303
-
-
10.7608455
-
Dehydrophytosphingosine
Dehydrophytosphingosine
ME377470
-
-
4.504222955
-
Dihydrogenphosphate
-
ME377178
-
-
14.9990888
-
dihydrothymidine
5,6-Dihydrothymidine
ME377404
-
-
15.1174625
-
ethyl-(2R)-methyl-(3S)-hydroxybutanoate
-
ME377256
-
-
4.983500651
-
ethyl propionate
Ethyl propanoate
ME377187
-
-
5.064501994
-
ethylpyruvate
-
ME377203
-
-
4.45988797
-
[FA (11:0/2:0)] Undecanedioic acid
Undecanedioic acid
ME377377
-
-
5.004167338
-
[FA (16:4)] hexadecatetraenoic acid
Hexadecatetraenoic acid
ME377409
-
-
4.265033368
-
FA (17:0)
Margaric acid
ME377427
-
-
3.969924642
-
FA (22:0)
Behenic acid
ME377469
-
-
4.209678577
-
[FA (25:0)] pentacosanoic acid
Hyenic acid
ME377513
-
-
3.80390767
-
FA (6:1)
Hexenoic acid
ME377200
-
-
7.539039347
-
FA (7:1) heptenal
-
ME377197
-
-
5.131277805
-
FA (8:1) octenal
-
ME377218
-
-
4.281160706
-
FA (8:2)
Octadienoic acid
ME377245
-
-
5.022737325
-
FA dioxo(10:0)
-
ME377357
-
-
5.021957377
-
[FA dioxo,hydroxy(4:0/2:0)] 9,15-dioxo-11R-hydroxy...
-
ME377478
-
-
4.439022183
-
FA hydroxy(10:0)
-
ME377338
-
-
4.933115356
-
FA hydroxy(12:0) dodecanoic acid
Lauric acid
ME377378
-
-
4.594647359
-
FA hydroxy(13:0) tridecanoic acid
Tridecylic acid
ME377393
-
-
4.524133364
-
FA hydroxy(16:0)] hexadecanoic acid
-
ME377429
-
-
4.117590658
-
FA hydroxy(18:0)
-
ME377457
-
-
4.058103994
-
FA hydroxy(6:0)
-
ME377236
-
-
7.659616028
-
FA hydroxy(8:0) hydroxy-octanoic acid
Hydroxyoctanoic acid
ME377279
-
-
7.666960693
-
FA hydroxy(9:0) hydroxy-nonanoic acid
-
ME377316
-
-
4.574232666
-
FA methyl(12:0) dodecanoic acid
Lauric acid
ME377373
-
-
4.107134654
-
FA methyl(14:0) dodecanedioic acid
Dodecanedioic acid
ME377405
-
-
7.678587382
-
FA methyl(15:0) tridecanedioic acid
Tridecanedioic acid
ME377414
-
-
4.288912487
-
FA methyl(18:0)
-
ME377452
-
-
3.923449283
-
[FA methyl(4:1)] 2-methyl-2E-butenoic acid
Tiglic acid
ME377183
-
-
14.29236597
-
FA methyl(6:0)
-
ME377231
-
-
4.846027283
-
FA methyl(6:1)
-
ME377224
-
-
7.663953389
-
FA methyl(8:0)
-
ME377272
-
-
4.410386007
-
[FA methyl,hydroxy,oxo(5:2/4:0)] methyl 4-[2-(2-fo...
Butyric acid
ME377410
-
-
4.565891616
-
FA oxo(16:0)
-
ME377426
-
-
4.061184682
-
FA oxo(7:0)
-
ME377248
-
-
5.05210201
-
FA oxo(9:0) oxo-nonanoic acid
Oxononanoic acid
ME377306
-
-
3.964956014
-
Glu-Ala-Ala
Glu-Ala-Ala
ME377442
-
-
13.76714444
-
Glu-Asp
Glu-Asp
ME377423
-
-
17.13870005
-
Glu-Glu-Met
Glu-Glu-Met
ME377519
-
-
13.07146653
-
Glu-Lys-Lys-Phe
-
ME377547
-
-
16.27497062
-
Glu-Pro-Ser
Glu-Pro-Ser
ME377483
-
-
12.64424171
-
Glu-Ser-Thr
Glu-Ser-Thr
ME377486
-
-
15.96734865
-
Glu-Thr
Glu-Thr
ME377408
-
-
14.71842685
-
Glycylproline
Gly-Pro
ME377305
-
-
14.15229841
-
His-Met-Thr-Pro
-
ME377538
-
-
17.18509342
-
His-Phe-Trp-Trp
-
ME377555
-
-
12.39964803
-
Homophytanicacid
Homophytanic acid
ME377477
-
-
3.835962289
-
Ile-Ala-Ser
Ile-Ala-Ser
ME377443
-
-
9.545213989
-
L-beta-aspartyl-L-alanine
beta-Aspartylalanine
ME377365
-
-
15.38255233
-
L-beta-aspartyl-L-asparticacid
-
ME377407
-
-
17.1062778
-
L-beta-aspartyl-L-glutamicacid
-
ME377422
-
-
14.28109165
-
L-beta-aspartyl-L-threonine
-
ME377396
-
-
15.38282621
-
L-Cysteinylglycinedisulfide
Cysteinylglycine disulfide
ME377450
-
-
15.1475127
-
L-gamma-glutamyl-L-leucine
gamma-Glutamylleucine
ME377419
-
-
11.94199456
-
L-Glycericacid
Glyceric acid
ME377190
-
-
12.71751746
-
Lys-Lys-Lys-Trp
-
ME377551
-
-
12.19494605
-
LysoPE(18:1)
LPE 18:1
ME377533
-
-
4.769751485
-
MES
Dimethyl sulfone
ME377355
-
-
14.42235729
-
Met-Asp-Pro
Met-Asp-Pro
ME377506
-
-
14.32951059
-
methanofuran biosynththesis intermediate MF1
-
ME377501
-
-
16.69362225
-
methionol
3-(Methylthio)-1-propanol
ME377191
-
-
4.932234463
-
Met-Met-Met
Met-Met-Met
ME377521
-
-
14.25660951
-
MG(0:0/14:1(9Z)/0:0)
MG 0:0/14:1(9Z)/0:0*
ME377456
-
-
4.952866618
-
MG(0:0/16:1(9Z)/0:0)
MG 0:0/16:1(9Z)/0:0
ME377479
-
-
4.497881097
-
Myrtillin
-
ME377530
-
-
3.975834529
-
N3-(4-methoxyfumaroyl)-L-2,3-diaminopropanoate
-
ME377376
-
-
8.544846816
-
n-Acetylasparagine
N-Acetylasparagine
ME377313
-
-
11.31458246
-
N-Acetylglutamine
N-Acetylglutamine
ME377336
-
-
10.77311261
-
N-hydroxy DAP
-
ME377366
-
-
12.85870132
-
N-hydroxyisoleucine
N-hydroxyisoleucine
ME377258
-
-
8.746461923
-
N-Lauroylglycine
N-Lauroylglycine
ME377412
-
-
4.650405795
-
N-Nonanoylglycine
N-Nonanoylglycine
ME377374
-
-
7.666356689
-
nonulose 9-phosphate
Nonulose 9-phosphate
ME377500
-
-
16.88295831
-
N-Undecanoylglycine
N-Undecanoylglycine
ME377401
-
-
7.647348022
-
octulose 8-phosphate
Octulose 8-phosphate
ME377471
-
-
16.56620984
-
Orotidine
Orotidine
ME377441
-
-
12.79727503
-
oxindole-3-acetyl-aspartate-N-beta-glucosyl-beta-1...
-
ME377554
-
-
15.15526462
-
Oxoamide
Oxoamide
ME377350
-
-
7.813377533
-
PA(P-42:4)
PA P-42:4
ME377556
-
-
4.352703311
-
P-DPD
-
ME377371
-
-
13.96219745
-
[PI(18:0)] 1-octadecanoyl-sn-glycero-3-phospho-(1'...
-
ME377552
-
-
4.358115133
-
[PS(16:0)] 1-hexadecanoyl-sn-glycero-3-phosphoseri...
-
ME377539
-
-
4.399278361
-
PS(40:5)
PS 40:5
ME377557
-
-
3.826718012
-
S-(3-oxo-3-carboxy-n-propyl)cysteine
S-(3-Oxo-3-carboxy-n-propyl)cysteine
ME377385
-
-
13.7906957
-
Ser-Ser
Ser-Ser
ME377348
-
-
13.84345406
-
[SL (6:0/6:0)] 2,3-di-0-hexanoyl-alpha-glucopyrano...
-
ME377511
-
-
4.501923319
-
sodium dodecyl sulfate
-
ME377424
-
-
3.827774658
-
Tetranor-PGE1
Tetranor-PGE1
ME377451
-
-
4.379564868
-
Tetranor-PGF1alpha
Tetranor-PGF1alpha
ME377454
-
-
4.458265864
-
Vanilpyruvicacid
Vanilpyruvic acid
ME377370
-
-
5.09719997
-
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