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Return to study ST000549 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
L-Arginine
Arginine
ME162930
-
C00062
8.715344
-
Glutamine
Glutamine
ME161959
-
C00064
2.7383006
-
L-Ascorbic acid
Vitamin C
ME161161
-
C00072
0.738635
-
L-Methionine
Methionine
ME162016
-
C00073
3.6429126
-
Urea
Urea
ME161864
-
C00086
1.8798817
-
Urea + 2.1285865
Urea
ME161906
-
C00086
2.1285865
-
Urea + 3.788126
Urea
ME162033
-
C00086
3.788126
-
Uracil
Uracil
ME161811
-
C00106
1.6533031
-
Uracil + 1.7113016
Uracil
ME161824
-
C00106
1.7113016
-
D-Biotin
Biotin
ME163252
-
C00120
3.9212277
-
L-Leucine
Leucine
ME162787
-
C00123
7.0991254
-
Glutathione, oxidized
Oxidized glutathione
ME161909
-
C00127
2.1594422
-
D-Alanine
D-Alanine
ME162012
-
C00133
3.5739682
-
D-Alanine + 6.7376966
D-Alanine
ME162660
-
C00133
6.7376966
-
D-Alanine + 7.295138
D-Alanine
ME162827
-
C00133
7.295138
-
Adenine
Adenine
ME162038
-
C00147
3.831744
-
Adenine + 3.1587083
Adenine
ME163090
-
C00147
3.1587083
-
Niacinamide
Niacinamide
ME161837
-
C00153
1.7314665
-
Acetoacetic acid
Acetoacetic acid
ME162891
-
C00164
7.8188577
-
5?-Deoxy-5?-(methylthio)adenosine
5'-Methylthioadenosine
ME161926
-
C00170
2.1648464
-
Thymine
Thymine
ME161790
-
C00178
1.5834508
-
Thymine + 7.1826386
Thymine
ME163396
-
C00178
7.1826386
-
L-Threonine
Threonine
ME162580
-
C00188
6.673125
-
Ceramide (d18:1/16:0)
Cer 18:1;O2/16:0
ME161392
-
C00195
1.1261863
-
Ceramide (d18:1/24:0)
Cer 18:1;O2/24:0
ME162985
-
C00195
1.1153939
-
Ceramide (d18:1/24:1(15Z))
Cer 18:1;O2/24:1(15Z)
ME161376
-
C00195
1.1221131
-
Thymidine
Thymidine
ME161795
-
C00214
1.584274
-
Taurine
Taurine
ME162308
-
C00245
5.5771956
-
Butyric acid
Butyric acid
ME161839
-
C00246
1.7315768
-
Riboflavin (Vitamin B2)
Riboflavin
ME161985
-
C00255
3.0548222
-
Hypoxanthine
Hypoxanthine
ME161964
-
C00262
2.8386796
-
Hypoxanthine + 3.086139
Hypoxanthine
ME161991
-
C00262
3.086139
-
?-D-Glucose
Glucose
ME161962
-
C00267
2.7738783
-
Fibrin
Fibrin
ME162542
-
C00290
6.433407
-
Uridine
Uridine
ME161941
-
C00299
2.2960243
-
Creatine
Creatine
ME162833
-
C00300
7.2951646
-
Sphingosine
Sphingosine
ME162073
-
C00319
4.1568027
-
Sphingosine + 4.3871903
Sphingosine
ME162134
-
C00319
4.3871903
-
Deoxyguanosine
Deoxyguanosine
ME161997
-
C00330
3.1589007
-
Indoleacrylic acid
Indoleacrylic acid
ME162368
-
C00331
5.824093
-
Indoleacrylic acid + 5.8675737
Indoleacrylic acid
ME162419
-
C00331
5.8675737
-
PE(18:3(6Z,9Z,12Z)/18:2(9Z,12Z))
PE 18:3(6Z,9Z,12Z)/18:2(9Z,12Z)*
ME163114
-
C00350
5.4304347
-
PE(20:0/15:0)
PE 20:0/15:0*
ME163276
-
C00350
6.316049
-
PE(20:1(11Z)/15:0)
PE 20:1(11Z)/15:0*
ME162305
-
C00350
5.576248
-
PE(20:2(11Z,14Z)/18:2(9Z,12Z))
PE 20:2(11Z,14Z)/18:2(9Z,12Z)*
ME162218
-
C00350
4.802058
-
PE(20:3(5Z,8Z,11Z)/18:3(6Z,9Z,12Z))
PE 20:3(5Z,8Z,11Z)/18:3(6Z,9Z,12Z)*
ME162209
-
C00350
4.7748513
-
PE(20:3(5Z,8Z,11Z)/20:2(11Z,14Z))
PE 20:3(5Z,8Z,11Z)/20:2(11Z,14Z)*
ME162335
-
C00350
5.6434307
-
PE(20:3(8Z,11Z,14Z)/18:4(6Z,9Z,12Z,15Z))
PE 20:3(8Z,11Z,14Z)/18:4(6Z,9Z,12Z,15Z)*
ME162213
-
C00350
4.7945743
-
PE(20:3(8Z,11Z,14Z)/20:3(8Z,11Z,14Z))
PE 20:3(8Z,11Z,14Z)/20:3(8Z,11Z,14Z)*
ME162207
-
C00350
4.7697663
-
PE(20:3(8Z,11Z,14Z)/P-18:0)
-
ME162228
-
C00350
4.8370814
-
PE(20:3(8Z,11Z,14Z)/P-18:1(9Z))
-
ME161642
-
C00350
1.2716798
-
PE(20:4(5Z,8Z,11Z,14Z)/20:3(5Z,8Z,11Z))
PE 20:4(5Z,8Z,11Z,14Z)/20:3(5Z,8Z,11Z)*
ME162197
-
C00350
4.74903
-
PE(20:4(8Z,11Z,14Z,17Z)/P-18:1(9Z))
-
ME162211
-
C00350
4.7862577
-
PE(22:1(13Z)/18:1(11Z))
PE 22:1(13Z)/18:1(11Z)*
ME163385
-
C00350
6.3137946
-
PE(22:1(13Z)/20:4(5Z,8Z,11Z,14Z))
PE 22:1(13Z)/20:4(5Z,8Z,11Z,14Z)*
ME163122
-
C00350
5.8394213
-
PE(22:2(13Z,16Z)/15:0)
PE 22:2(13Z,16Z)/15:0*
ME162302
-
C00350
5.5530453
-
PE(22:4(7Z,10Z,13Z,16Z)/P-18:1(9Z))
-
ME162212
-
C00350
4.795175
-
PE(22:5(4Z,7Z,10Z,13Z,16Z)/18:4(6Z,9Z,12Z,15Z))
PE 22:5(4Z,7Z,10Z,13Z,16Z)/18:4(6Z,9Z,12Z,15Z)*
ME162208
-
C00350
4.7757564
-
PE(22:5(4Z,7Z,10Z,13Z,16Z)/22:1(13Z))
PE 22:5(4Z,7Z,10Z,13Z,16Z)/22:1(13Z)*
ME163117
-
C00350
5.448762
-
PE(22:5(7Z,10Z,13Z,16Z,19Z)/P-18:1(11Z))
-
ME162196
-
C00350
4.7374825
-
PE(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/18:4(6Z,9Z,12Z,15Z)...
PE 22:6(4Z,7Z,10Z,13Z,16Z,19Z)/18:4(6Z,9Z,12Z,15Z)*
ME162220
-
C00350
4.8067527
-
PE(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/P-18:1(11Z))
-
ME163359
-
C00350
4.6985397
-
PE(24:1(15Z)/14:1(9Z))
PE 24:1(15Z)/14:1(9Z)*
ME162310
-
C00350
5.578175
-
PE(24:1(15Z)/14:1(9Z)) + 5.6096344
PE 24:1(15Z)/14:1(9Z)*
ME162326
-
C00350
5.6096344
-
Cytosine
Cytosine
ME162034
-
C00380
3.7902985
-
Cytosine + 4.227604
Cytosine
ME162084
-
C00380
4.227604
-
Cytosine + 4.314314
Cytosine
ME162110
-
C00380
4.314314
-
Xanthine
Xanthine
ME161988
-
C00385
3.06367
-
Histamine
Histamine
ME163195
-
C00388
7.5740147
-
Ubiquinone (Q2)
-
ME161387
-
C00399
1.1329608
-
DL-pipecolic acid + 6.6582723
Pipecolic acid
ME162611
-
C00408
6.6582723
-
L-Pipecolic acid
Pipecolic acid
ME162284
-
C00408
5.3569207
-
N2-Acetyl-L-ornithine
N-Acetylornithine
ME162233
-
C00437
4.866964
-
N2-Acetyl-L-ornithine + 7.505078
N-Acetylornithine
ME162853
-
C00437
7.505078
-
Cytidine
Cytidine
ME162085
-
C00475
4.228518
-
Biliverdin IX
Biliverdin
ME163344
-
C00500
1.654554
-
a-L-Rhamnose
Rhamnose
ME161778
-
C00507
1.5531787
-
Androsterone
Androsterone
ME161293
-
C00523
1.0791572
-
2'-Deoxyuridine
Deoxyuridine
ME161808
-
C00526
1.6537197
-
Norepinephrine (noradrenaline)
Xi-Norepinephrine
ME163143
-
C00547
6.207168
-
Trimethylamine
Trimethylamine
ME162459
-
C00565
6.0988913
-
Trimethylamine + 7.8191104
Trimethylamine
ME162888
-
C00565
7.8191104
-
p-Aminobenzoic acid
p-Aminobenzoic acid
ME162776
-
C00568
7.046158
-
p-Aminobenzoic acid + 7.2129807
p-Aminobenzoic acid
ME162822
-
C00568
7.2129807
-
PGE2
PGE2
ME162993
-
C00584
1.16921
-
Cholestenone
Cholestenone
ME161318
-
C00599
1.0824918
-
N1-Acetylspermidine
N1-Acetylspermidine
ME161426
-
C00612
1.1397169
-
N1-Acetylspermidine + 9.039678
N1-Acetylspermidine
ME162939
-
C00612
9.039678
-
PI(18:1(11Z)/16:1(9Z))
PI 18:1(11Z)/16:1(9Z)*
ME162199
-
C00626
4.7583895
-
PI(18:1(9Z)/18:1(9Z))
PI 18:1(9Z)/18:1(9Z)*
ME163107
-
C00626
4.729662
-
PI(20:3(5Z,8Z,11Z)/18:1(11Z))
PI 20:3(5Z,8Z,11Z)/18:1(11Z)*
ME162178
-
C00626
4.635655
-
PI(20:3(8Z,11Z,14Z)/18:2(9Z,12Z))
PI 20:3(8Z,11Z,14Z)/18:2(9Z,12Z)*
ME162193
-
C00626
4.646698
-
PI(20:4(8Z,11Z,14Z,17Z)/16:0)
PI 20:4(8Z,11Z,14Z,17Z)/16:0*
ME162185
-
C00626
4.6675854
-
PI(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/18:0)
PI 22:6(4Z,7Z,10Z,13Z,16Z,19Z)/18:0*
ME162167
-
C00626
4.6210527
-
DL-Serine
Serine
ME162677
-
C00716
6.7850647
-
Macrocin
Macrocin
ME162416
-
C00744
5.8461366
-
D-Proline
D-Proline
ME161857
-
C00763
1.8627179
-
D-Proline + 4.22679
D-Proline
ME162082
-
C00763
4.22679
-
D-Proline + 6.653455
D-Proline
ME162599
-
C00763
6.653455
-
(-)-Epinephrine
Epinephrine
ME161833
-
C00788
1.7228727
-
Creatinine
Creatinine
ME162127
-
C00791
4.378695
-
Creatinine + 7.2947903
Creatinine
ME162834
-
C00791
7.2947903
-
Tryptophan
Tryptophan
ME162210
-
C00806
4.781196
-
Sphinganine
Sphinganine
ME162140
-
C00836
4.433731
-
Ethyl acetate
Ethyl acetate
ME161684
-
C00849
1.2749375
-
Pantothenic Acid
Pantothenic acid
ME161949
-
C00864
2.520448
-
Galactonic acid
Galactonic acid
ME163259
-
C00880
4.5872617
-
Deoxycytidine
Deoxycytidine
ME162111
-
C00881
4.3147187
-
3-Indoleacetic Acid
Indoleacetic acid
ME162003
-
C00954
3.34169
-
Indole-3-ethanol
Tryptophanol
ME162652
-
C00955
6.7169604
-
5-Aminopentanamide
5-Aminopentanamide
ME161799
-
C00990
1.6189432
-
5-Hydroxytryptophan
5-Hydroxy-tryptophan
ME163133
-
C01017
6.060743
-
7,8-Diaminononanoate
7,8-Diaminononanoic acid
ME162951
-
C01037
9.950603
-
6-Hydroxynicotine (R)
(S)-6-Hydroxynicotine
ME162871
-
C01056
7.6426883
-
KAPA
Acetoacetic acid
ME161770
-
C01092
1.540136
-
Trimethylamine N-oxide
Trimethylamine N-oxide
ME162624
-
C01104
6.673725
-
4-Methylene-L-glutamine
4-Methylene-glutamine
ME162880
-
C01109
7.691398
-
2-oxo-5-amino-pentanoic acid
5-Amino-2-oxopentanoic acid
ME162694
-
C01110
6.83269
-
S-Acetyldihydrolipoamide
S-Acetyldihydrolipoamide
ME161891
-
C01136
1.9870639
-
1-methylhistidine
1-Methylhistidine
ME162081
-
C01152
4.2162795
-
L-Glutamate 5-semialdehyde
L-Glutamic-gamma-semialdehyde
ME161954
-
C01165
2.5747325
-
Glucosylceramide (d18:1/16:0)
-
ME161703
-
C01190
1.3247412
-
Glucosylceramide (d18:1/16:0) + 1.4790593
GlcCer 18:1;O2/16:0
ME161761
-
C01190
1.4790593
-
Glucosylceramide (d18:1/24:1(15Z))
-
ME161685
-
C01190
1.2865404
-
Glucosylceramide (d18:1/24:1(15Z)) + 1.4387408
GlcCer 18:1;O2/24:1
ME161745
-
C01190
1.4387408
-
Alanine
Alanine
ME162821
-
C01401
7.210038
-
Arg-OEt
Ethyl arginate
ME162936
-
C01404
8.948673
-
Tylosin
Tylosin
ME162408
-
C01457
5.867512
-
Allantoin
Allantoin
ME161862
-
C01551
1.8813473
-
Caproic acid
Caproic acid
ME161667
-
C01585
1.2912201
-
Gibberellin A3
Gibberellin A3
ME162685
-
C01699
6.7760186
-
Piperidine
Piperidine
ME162456
-
C01746
6.0980835
-
Piperidine + 6.1769915
Piperidine
ME162471
-
C01746
6.1769915
-
o-Coumaric acid
trans-o-Coumaric acid
ME162467
-
C01772
6.174449
-
2S-amino-pentanoic acid
2S-Aminopentanoic acid
ME161767
-
C01826
1.5343401
-
2S-amino-pentanoic acid + 1.9324512
2S-Aminopentanoic acid
ME161885
-
C01826
1.9324512
-
2S-amino-pentanoic acid + 6.319823
2S-Aminopentanoic acid
ME162507
-
C01826
6.319823
-
2S-amino-pentanoic acid + 6.656693
2S-Aminopentanoic acid
ME162614
-
C01826
6.656693
-
2S-amino-pentanoic acid + 6.959881
2S-Aminopentanoic acid
ME162755
-
C01826
6.959881
-
Orsellinic acid
Orsellinic acid
ME161902
-
C01839
2.1097262
-
Xanthoaphin
Xanthoaphin
ME161301
-
C01863
1.0854591
-
?-Captrolactone
-
ME161618
-
C01880
1.2557777
-
D-Asparagine
D-Asparagine
ME161956
-
C01905
2.6352746
-
D-Asparagine + 3.0625474
D-Asparagine
ME161986
-
C01905
3.0625474
-
D-Asparagine + 3.5735521
D-Asparagine
ME162013
-
C01905
3.5735521
-
d-Dethiobiotin
Dethiobiotin
ME162087
-
C01909
4.23153
-
d-Dethiobiotin + 4.5324354
Dethiobiotin
ME162157
-
C01909
4.5324354
-
L-Norleucine
Norleucine
ME161818
-
C01933
1.6932186
-
L-Norleucine + 6.0978947
Norleucine
ME162454
-
C01933
6.0978947
-
L-Norleucine + 6.176548
Norleucine
ME162469
-
C01933
6.176548
-
4-Hydroxyindole
4-Hydroxyindole
ME161168
-
C02040
0.7999384
-
4-Nitroaniline
4-Nitroaniline
ME161846
-
C02126
1.7614093
-
4-Nitroaniline + 2.7460015
4-Nitroaniline
ME161960
-
C02126
2.7460015
-
4-Nitroaniline + 3.668444
4-Nitroaniline
ME162021
-
C02126
3.668444
-
1-Methyladenine
1-Methyladenine
ME163367
-
C02216
5.6857085
-
2-Cyanopyridine
2-Cyanopyridine
ME162875
-
C02221
7.6488957
-
(R)-(+)-2-Pyrrolidone-5-carboxylic acid
-
ME162491
-
C02237
6.2081575
-
(R)-(+)-2-Pyrrolidone-5-carboxylic acid + 7.156825...
-
ME162804
-
C02237
7.1568255
-
7-Methylguanine
7-Methylguanine
ME162062
-
C02242
4.086957
-
2R-amino-butanoic acid + 6.82218
2R-Aminobutyric acid
ME162702
-
C02261
6.82218
-
D-2-Aminobutyric acid
2R-Aminobutyric acid
ME161881
-
C02261
1.9040687
-
D-Phenylalanine
D-Phenylalanine
ME162434
-
C02265
5.955865
-
Methylitaconate
-
ME161967
-
C02295
2.9065425
-
Methylitaconate + 7.548231
-
ME162861
-
C02295
7.548231
-
3-oxo-dodecanoic acid
3-Oxododecanoic acid
ME161582
-
C02367
1.2423513
-
5-Methylcytosine
5-Methylcytosine
ME162147
-
C02376
4.4695187
-
aminocaproic acid
Aminocaproic acid
ME162191
-
C02378
4.708906
-
Cinnamyl alcohol
Cinnamyl alcohol
ME161455
-
C02394
1.1496845
-
Cinnamyl alcohol + 1.4422443
Cinnamyl alcohol
ME161746
-
C02394
1.4422443
-
Cinnamyl alcohol + 1.5503812
Cinnamyl alcohol
ME161776
-
C02394
1.5503812
-
Isobutyronitrile
Isobutyronitrile
ME162600
-
C02420
6.653347
-
Phenylenediamine
-
ME162843
-
C02454
7.393098
-
3-Cyano-L-alanine
Dihydrouracil
ME162463
-
C02512
6.1465983
-
(6S)-dehydrovomifoliol
(6S)-Dehydrovomifoliol
ME163337
-
C02533
1.4714152
-
Propanoylagmatine
Propanoylagmatine
ME163358
-
C02581
4.37832
-
Acetone cyanohydrin
2-Hydroxy-2-methylpropanenitrile
ME162017
-
C02659
3.6427777
-
Dodecanedioic acid
Dodecanedioic acid
ME161607
-
C02678
1.2545176
-
L-Formylkynurenine
N-Formyl-L-kynurenine
ME163134
-
C02700
6.1699133
-
N-Formiminoglycine
N-Formimidoylglycine
ME163354
-
C02718
3.1539679
-
Ne-Methyl-L-lysine
N(6)-Methyllysine
ME162938
-
C02728
9.063201
-
GPSer(18:0/18:1(9Z))
PS 18:0/18:1(9Z)
ME162290
-
C02737
5.448682
-
PS(18:0/20:4(8Z,11Z,14Z,17Z))
PS 18:0/20:4(8Z,11Z,14Z,17Z)*
ME162379
-
C02737
5.835391
-
PS(18:0/22:5(7Z,10Z,13Z,16Z,19Z))
PS 18:0/22:5(7Z,10Z,13Z,16Z,19Z)*
ME162285
-
C02737
5.3751197
-
Butanone
Butanone
ME161675
-
C02845
1.2724594
-
3-ketosphinganine
3-Ketosphinganine
ME161564
-
C02934
1.2340895
-
L-Methionine S-oxide
Methionine sulfoxide
ME161748
-
C02989
1.4467877
-
L-Methionine S-oxide + 7.688807
Methionine sulfoxide
ME162881
-
C02989
7.688807
-
N-Acetyl-L-Histidine
N-Acetylhistidine
ME162865
-
C02997
7.5775366
-
5-Methylthioribose
5-Methylthioribose
ME161984
-
C03089
3.0358496
-
N-Acetyl-D-tryptophan
N-Acetyl-D-tryptophan
ME161999
-
C03137
3.2105124
-
Guanidinosuccinic Acid
Guanidinosuccinic acid
ME162457
-
C03139
6.0983543
-
Guanidinosuccinic Acid + 6.1773696
Guanidinosuccinic acid
ME162473
-
C03139
6.1773696
-
D-Leucic acid
D-Leucic acid
ME163070
-
C03264
1.9006482
-
Strictosidine aglycone
Strictosidine aglycone
ME161359
-
C03309
1.1083748
-
N6,N6-Dimethyladenosine
N(6),N(6)-Dimethyladenosine
ME163348
-
C03416
2.0563102
-
2'-Hydroxydihydrodaidzein
2'-Hydroxydihydrodaidzein
ME161840
-
C03567
1.7302556
-
5-Methyldeoxycytidine
5-Methyldeoxycytidine
ME162146
-
C03592
4.469048
-
S-(Carboxymethyl)-L-cysteine
S-Carboxymethyl-cysteine
ME162010
-
C03727
3.4975598
-
3-Imidazole-2-oxopropanoate
3-Imidazol-1-yl-2-oxopropanoic acid
ME161939
-
C03762
2.2981129
-
cholesteryl beta-D-glucoside
Cholesteryl beta-D-glucoside
ME161661
-
C03855
1.2646005
-
D-Glucosyldihydrosphingosine
D-Glucosyldihydrosphingosine
ME163027
-
C03858
1.2545047
-
3-Hydroxy-4-methylanthranilate
-
ME161851
-
C03986
1.8311125
-
4-Hydroxyaminoquinoline N-oxide
4-(Hydroxyamino)quinoline N-oxide
ME161953
-
C04050
2.564377
-
Isopentenyladenine
N6-Isopentenyladenine
ME162862
-
C04083
7.5485244
-
N,N-dimethylhistidine
N,N-Dimethylhistidine
ME161983
-
C04259
3.0276031
-
N,N-dimethylhistidine + 4.45251
N,N-Dimethylhistidine
ME162143
-
C04259
4.45251
-
N(alpha)-t-Butoxycarbonyl-L-leucine
-
ME162483
-
C04301
6.2090387
-
N(alpha)-t-Butoxycarbonyl-L-leucine + 7.0559106
-
ME162779
-
C04301
7.0559106
-
N(alpha)-Benzyloxycarbonyl-L-leucine
N-Benzyloxycarbonyl-L-leucine
ME162714
-
C04335
6.853635
-
alpha-D-galactosyl undecaprenyl diphosphate
alpha-D-galactosyl undecaprenyl diphosphate
ME162669
-
C04507
6.7381043
-
D-myo-Inositol-1,2,4,5,6-pentaphosphate
-
ME162383
-
C04563
5.8358884
-
12,13S-epoxy-9Z,11-octadecadienoic acid
-
ME161330
-
C04594
1.093414
-
12,13S-epoxy-9Z,11-octadecadienoic acid + 1.229105...
-
ME163230
-
C04594
1.2291057
-
5-O-(Indol-3-ylacetyl-myo-inositol) D-galactoside
5-O-(Indol-3-ylacetyl)-myo-inositol D-galactoside
ME163379
-
C04695
6.180263
-
13(S)-HpODE
13S-HpODE
ME161632
-
C04717
1.2239071
-
2'-O-Methyladenosine
2'-O-Methyladenosine
ME162537
-
C04779
6.399857
-
beta-D-Glucosyl-1,4-N-acetyl-D-glucosaminyldiphosp...
-
ME162418
-
C04830
5.8359656
-
Nalidixic acid
Nalidixic acid
ME162015
-
C05079
3.6008804
-
Taurocholic acid
Taurocholic acid
ME162042
-
C05122
3.9029086
-
Chlorophyll b
Chlorophyll B
ME163360
-
C05307
4.724706
-
D-2-Amino-hexano-6-lactam
Undecylprodigiosin
ME162949
-
C05328
9.330056
-
Phenylethylamine
Phenylethylamine
ME162022
-
C05332
3.70951
-
Psicofuranine
Angustmycin C
ME162006
-
C05342
3.396048
-
Psicofuranine + 3.517004
Angustmycin C
ME162011
-
C05342
3.517004
-
Dihydrocortisol
Dihydrocortisol
ME163242
-
C05471
1.9058994
-
Urocortisol
Tetrahydrocortisol
ME163282
-
C05472
6.556257
-
21-Hydroxy-5?-pregnane-3,11,20-trione
21-Hydroxy-5beta-pregnane-3,11,20-trione
ME161560
-
C05477
1.2327633
-
3b,17a,21-Trihydroxypregnenone
3beta,17alpha,21-Trihydroxy-pregnenone
ME161724
-
C05487
1.3938074
-
3b,17a,21-Trihydroxypregnenone + 1.4572551
3beta,17alpha,21-Trihydroxy-pregnenone
ME161755
-
C05487
1.4572551
-
5-Hydroxyindoleacetic acid
5-Hydroxyindoleacetic acid
ME163339
-
C05635
1.5452938
-
4,6-Dihydroxyquinoline
4,6-Dihydroxyquinoline
ME163347
-
C05639
1.802759
-
Heptanoic acid
Heptylic acid
ME161610
-
C05799
1.2514364
-
Methylimidazole acetaldehyde
Methylimidazole acetaldehyde
ME161993
-
C05827
3.118276
-
N-Methyl-4-pyridone-3-carboxamide
N1-Methyl-4-pyridone-3-carboxamide
ME161899
-
C05843
2.0728695
-
PGC2
PGC2
ME161410
-
C05955
1.1480751
-
6-keto PGE1
6-Keto PGE1
ME163013
-
C05962
1.2029549
-
3-ketosphingosine
3-Ketosphingosine
ME161522
-
C06121
1.2158562
-
3-Butynoate
3-Butynoic acid
ME162860
-
C06144
7.5481524
-
3-Butynoate + 1.091489
3-Butynoic acid
ME163208
-
C06144
1.091489
-
Hygrine
Hygrine
ME161768
-
C06179
1.5406988
-
Ectoine
Ectoine
ME162870
-
C06231
7.634795
-
Quinolin-2-ol
2-Hydroxyquinoline
ME161433
-
C06338
1.1438377
-
Quinolin-2-ol + 1.9616449
2-Hydroxyquinoline
ME161889
-
C06338
1.9616449
-
3-Methyl-quinolin-2-ol
-
ME162245
-
C06345
4.931611
-
Methylenediurea
Methylenediurea
ME162032
-
C06381
3.78813
-
N-(Aminomethyl)urea
N-(Aminomethyl)urea
ME162035
-
C06383
3.787943
-
?-Linolenic Acid
Octadecatrienoic acid
ME161298
-
C06427
1.087934
-
Muramic acid
Muramic acid
ME161927
-
C06470
2.1637948
-
PGF1?
PGF1alpha
ME161681
-
C06475
1.2730963
-
Compound III(S)
Compound III(S)
ME162272
-
C06495
5.207351
-
Cuscohygrine
Cuscohygrine
ME161578
-
C06521
1.2376783
-
Harmalol
Harmalol
ME162000
-
C06537
3.2085829
-
Harmalol + 4.906716
Harmalol
ME162244
-
C06537
4.906716
-
?-Caprolactam
Epsilon-caprolactam
ME161788
-
C06593
1.5871117
-
5,6-Dihydroxy-3-methyl-2-oxo-1,2,5,6-tetrahydroqui...
-
ME162002
-
C06726
3.3248916
-
Tetranactin
-
ME163168
-
C06764
6.746477
-
Trolamine
Triethanolamine
ME162479
-
C06771
6.2068024
-
Diethanolamine
Diethanolamine
ME162490
-
C06772
6.208659
-
Diethanolamine + 6.678039
Diethanolamine
ME162627
-
C06772
6.678039
-
Acetophenazine
Acetophenazine
ME163289
-
C06807
6.888448
-
Amikacin
Amikacin
ME163395
-
C06820
7.0735254
-
Bitolterol
-
ME163194
-
C06853
7.5482416
-
Buspirone
Buspirone
ME161356
-
C06861
1.1217374
-
Buspirone + 4.3572464
Buspirone
ME162125
-
C06861
4.3572464
-
Chlorambucil
Chlorambucil
ME161925
-
C06900
2.1672678
-
Diazepam
Diazepam
ME161913
-
C06948
2.1594338
-
Diltiazem
Diltiazem
ME161836
-
C06958
1.7256956
-
Fexofenadine
Fexofenadine
ME162303
-
C06999
5.5354357
-
Fexofenadine + 5.6458764
Fexofenadine
ME162333
-
C06999
5.6458764
-
Fosinopril
Fosinopril
ME162681
-
C07016
6.7719574
-
Gabapentin
Gabapentin
ME161682
-
C07018
1.2758588
-
2-Oxo-delta3-4,5,5-trimethylcyclopentenylacetate
-
ME163017
-
C07159
1.2087672
-
l-Methamphetamine
Methamphetamine
ME162071
-
C07164
4.148058
-
Ramipril
Ramipril
ME162036
-
C07232
3.809555
-
Rimantadine
Rimantadine
ME163033
-
C07236
1.2911017
-
Nadolol
Nadolol
ME163279
-
C07249
6.3468485
-
Nadolol + 6.457579
Nadolol
ME163280
-
C07249
6.457579
-
Nelfinavir
Nelfinavir
ME162767
-
C07257
7.0063252
-
Nelfinavir + 7.450638
Nelfinavir
ME162849
-
C07257
7.450638
-
Limonene-1,2-epoxide
Limonene-1,2-epoxide
ME161459
-
C07271
1.1485678
-
Limonene-1,2-epoxide + 1.4060118
Limonene-1,2-epoxide
ME161728
-
C07271
1.4060118
-
7S,8S-dihydroxy-9Z,12Z,15Z-octadecatrienoic acid
7S,8S-DiHOTrE
ME161339
-
C07357
1.097548
-
Enalkiren
Enalkiren
ME163409
-
C07466
6.755967
-
Irbesartan
Irbesartan
ME163128
-
C07469
5.9553537
-
Propofol
Propofol
ME161606
-
C07523
1.2552315
-
Netilmicin
Netilmicin
ME162149
-
C07657
4.488249
-
Sulfathalidine
Phthalylsulfathiazole
ME162288
-
C07659
5.4071345
-
2-Formyl-1-indanone
-
ME162840
-
C07719
7.342805
-
Pirbuterol
Pirbuterol
ME162925
-
C07807
8.521822
-
Dextroamphetamine
Dextroamphetamine
ME163092
-
C07884
3.4751046
-
Mephentermine
Mephentermine
ME162050
-
C07889
4.0012
-
Ivermectin B1a
-
ME162443
-
C07970
5.9519877
-
furazolidone
Furazolidone
ME162455
-
C07999
6.1113214
-
Buprenorphine
Buprenorphine
ME162343
-
C08007
5.68811
-
Buprenorphine + 6.8252945
Buprenorphine
ME162705
-
C08007
6.8252945
-
Buprenorphine + 6.915001
Buprenorphine
ME162741
-
C08007
6.915001
-
Erythromycin estolate
Erythromycin estolate
ME162653
-
C08031
6.7114573
-
Erythromycin estolate + 6.7943406
Erythromycin estolate
ME162697
-
C08031
6.7943406
-
Chaulmoogric acid
Chaulmoogric acid
ME161380
-
C08282
1.0990576
-
(+)-gamma-Hydroxy-L-homoarginine
gamma-Hydroxy-homoarginine
ME162806
-
C08286
7.147945
-
Hypoglycin
-
ME162257
-
C08287
5.0487785
-
Indospicine
Indospicine
ME162566
-
C08288
6.5858164
-
4-oxo-9Z,11E,13E-octadecatrienoic acid
alpha-Licanic acid
ME161340
-
C08319
1.1009626
-
Ricinoleic acid
Ricinoleic acid
ME161315
-
C08365
1.0853553
-
Vernolic acid
12S,13R-EpOME
ME161323
-
C08368
1.089021
-
Vernolic acid + 1.1473087
12S,13R-EpOME
ME161445
-
C08368
1.1473087
-
Dipropyl disulfide
Dipropyl disulfide
ME161946
-
C08373
2.4042609
-
(3Z,6Z,9Z)-dodecatrienol
-
ME161702
-
C08375
1.3049446
-
Propanethial S-oxide
Thial-1-Propene-1-thiol S-oxide
ME162018
-
C08389
3.6413476
-
Indican
Indican
ME161980
-
C08481
3.012869
-
Jasmonic acid
Jasmonic acid
ME161364
-
C08491
1.1927333
-
gamma-Nonalactone
(S)-4-Nonanolide
ME161335
-
C08501
1.1251279
-
Ruscopine
Ruscopine
ME161605
-
C08510
1.2542356
-
Hispidol
(Z)-4',6-Dihydroxyaurone
ME161162
-
C08644
0.74429685
-
Lindheimerine
Lindheimerine
ME162760
-
C08695
6.9929986
-
Staphidine
-
ME161652
-
C08712
1.271624
-
Melamine
Melamine
ME162049
-
C08737
3.9874303
-
Chaparrinone
Chaparrinone
ME163006
-
C08757
1.1589627
-
Bryotoxin A
Bryotoxin A
ME161771
-
C08853
1.5430819
-
Hecogenin
Hecogenin
ME161521
-
C08902
1.2045225
-
Astrasieversianin XVI
Astrasieversianin XVI
ME163106
-
C08925
4.636721
-
Mulberrofuran C
Mulberrofuran C
ME162298
-
C08928
5.4861608
-
Barringtogenol C
Theasapogenol B
ME162044
-
C08931
3.9616969
-
Borreverine
Borreverine
ME162466
-
C09082
6.172808
-
Athamantin
Athamantin
ME161385
-
C09123
1.1239628
-
Athamantin + 1.2098414
Athamantin
ME161535
-
C09123
1.2098414
-
Evodiamine
Evodiamine
ME162159
-
C09187
4.542899
-
Hodgkinsine
Hodgkinsine
ME163364
-
C09211
5.601868
-
Angustibalin
Angustibalin
ME161932
-
C09293
2.2864175
-
(+)-Adlumine
Adlumine
ME162917
-
C09324
8.348879
-
Alpinine
Alpinine
ME162867
-
C09331
7.587975
-
Ankorine
Ankorine
ME163278
-
C09337
6.3399115
-
Heliamine
Heliamine
ME162777
-
C09460
7.0484853
-
Hymenoflorin
Hymenoflorin
ME161451
-
C09480
1.1493529
-
Inulicin
-
ME161690
-
C09483
1.2867934
-
Tutin
Tutin
ME161434
-
C09570
1.1476514
-
Tutin + 2.6770117
Tutin
ME161958
-
C09570
2.6770117
-
Tutin + 3.0069094
Tutin
ME163084
-
C09570
3.0069094
-
Noscapine
alpha-Narcotine
ME162931
-
C09592
8.678719
-
Debneyol
Debneyol
ME161411
-
C09653
1.1282991
-
Trilobine
Trilobine
ME162619
-
C09669
6.664668
-
Hemigossypol
Hemigossypol
ME163058
-
C09680
1.5901996
-
Rugosal A
Rugosal
ME161523
-
C09717
1.2021598
-
Boschnialactone + 1.2586726
Boschnialactone
ME161680
-
C09772
1.2586726
-
Didrovaltratum
Didrovaltratum
ME161284
-
C09776
1.0864221
-
Bergenin
Bergenin
ME161922
-
C09919
2.1622493
-
Rhexifoline
Rhexifoline
ME163093
-
C09986
3.5318797
-
Diosmetin
Diosmetin
ME163086
-
C10038
3.0244029
-
Cucurbitine
-
ME162813
-
C10140
7.1465015
-
Lentiginosine
Lentiginosine
ME162786
-
C10155
7.077419
-
Lentiginosine + 1.3061546
Lentiginosine
ME163041
-
C10155
1.3061546
-
Velloquercetin
Velloquercetin
ME163147
-
C10194
6.3205137
-
Procyanidin B1
Procyanidin B1
ME161974
-
C10221
2.9883502
-
Pedunculagin
Pedunculagin
ME163119
-
C10236
5.536335
-
Batatasin IV
Batatasin IV
ME163002
-
C10247
1.1490388
-
Embelin
Embelin
ME161406
-
C10342
1.1563085
-
Otonecine
Otonecine
ME162744
-
C10356
6.921283
-
Otonecine + 1.4471529
Otonecine
ME163044
-
C10356
1.4471529
-
Otonecine + 4.6158233
Otonecine
ME163104
-
C10356
4.6158233
-
6-Gingerol
Gingerol
ME162217
-
C10462
4.7910037
-
12a-Hydroxyrotenone
cis-Rotenolone
ME163087
-
C10464
3.0461662
-
Isosafrole
Isosafrole
ME161260
-
C10472
1.066141
-
Isosafrole + 1.1335262
Isosafrole
ME161408
-
C10472
1.1335262
-
Piscerythramine
Piscerythramine
ME162897
-
C10518
7.8594813
-
Decaline
Decaline
ME162857
-
C10589
7.5128465
-
Decaline + 7.456029
Decaline
ME163295
-
C10589
7.456029
-
Homaline
Homaline
ME161278
-
C10599
1.0733131
-
Deoxyvasicinone
Deoxyvasicinone
ME162225
-
C10659
4.8083916
-
Ammothamnine
Oxymatrine
ME161671
-
C10749
1.2769941
-
Cyclopamine
Cyclopamine
ME163417
-
C10798
4.236847
-
Belladonnine
Belladonnine
ME162334
-
C10845
5.645353
-
Convoline
Convoline
ME161916
-
C10855
2.1635633
-
Darlingine
Darlingine
ME163037
-
C10857
1.2609951
-
Valeroidine
Valeroidine
ME161674
-
C10869
1.2671084
-
Hexazinone
-
ME161848
-
C10926
1.7872953
-
Hexazinone + 2.021875
-
ME161895
-
C10926
2.021875
-
Metalaxyl
Metalaxyl
ME163287
-
C10947
6.8561373
-
4-Methylaminobutanal
4-(Methylamino)butanal
ME163039
-
C10974
1.2688656
-
Guazatine
Guazatine
ME162061
-
C10997
4.0853767
-
2-Fluoroaniline
2-Fluoroaniline
ME161937
-
C11010
2.2883675
-
2-Fluoroaniline + 1.5872291
2-Fluoroaniline
ME163054
-
C11010
1.5872291
-
THTC
Tetrahydrothiophene-2-carboxylic acid
ME162476
-
C11074
6.1869273
-
Pirimicarb
Pirimicarb
ME161935
-
C11079
2.2883043
-
N-Methyl-2-pyrrolidinone
2-Pyrrolidinone
ME163072
-
C11118
1.9363258
-
Bisindolylmaleimide I
Bisindolylmaleimide i
ME161285
-
C11238
1.0735351
-
Tridemorph
Tridemorph
ME161417
-
C11285
1.1356211
-
Leu-leu-tyr
Leu-Leu-Tyr
ME162816
-
C11331
7.156671
-
N-Methylformamide
N-Methylformamide
ME163135
-
C11489
6.1738796
-
3beta-hydroxy-4beta-methyl-5alpha-cholest-7-ene-4a...
3beta-Hydroxy-4beta-methyl-5alpha-cholest-7-ene-4alpha-carbaldehyde
ME161244
-
C11509
1.0519689
-
Geniposidic acid
Geniposidic acid
ME161858
-
C11673
1.8674428
-
MET-enkephalin
MET-enkephalin
ME163375
-
C11684
5.9658327
-
Curacin A
Curacin A
ME162137
-
C11689
4.417174
-
Methylnoradrenaline
Levonordefrin
ME163400
-
C11768
0.8957567
-
Xamoterol
Xamoterol
ME162636
-
C11775
6.6908283
-
Xamoterol + 9.089115
Xamoterol
ME162941
-
C11775
9.089115
-
Loxtidine
Loxtidine
ME161353
-
C11805
1.1108028
-
Loxtidine + 1.1110786
Loxtidine
ME161355
-
C11805
1.1110786
-
N-(3-oxo-hexanoyl)-homoserine lactone
N-(3-Oxo-hexanoyl)-homoserine lactone
ME163309
-
C11839
0.92410725
-
N-(3-hydroxy-7Z-tetradecenoyl)-homoserine lactone
N-(3-hydroxy-7Z-tetradecenoyl)-homoserine lactone
ME162120
-
C11845
4.3255677
-
3-Hydroxy-palmitic acid methyl ester
Cyclopamine
ME163413
-
C11849
1.2287426
-
L-Cladinose
L-Cladinose
ME161879
-
C11917
1.8969164
-
5-Oxoavermectin ''1a'' aglycone
-
ME162363
-
C11978
5.7634177
-
10-Deoxymethynolide
10-Deoxymethynolide
ME163218
-
C11993
1.1252754
-
5-O-?-D-Mycaminosyltylactone
CHEMBL296286
ME162077
-
C12001
4.1915216
-
Undecylprodigiosin
Undecylprodigiosin
ME162956
-
C12023
0.90340513
-
Mycobactin S
Mycobactin S
ME163165
-
C12216
6.7312994
-
3-Buten-1-amine
3-Buten-1-amine
ME162504
-
C12244
6.3197694
-
alpha-Ionone
alpha-Ionone
ME161569
-
C12286
1.2345767
-
Saphenamycin
Saphenamycin
ME163374
-
C12311
5.9658666
-
Militarinone A
Militarinone A
ME161427
-
C12333
1.1528153
-
Militarinone B
Militarinone B
ME163296
-
C12334
7.4876575
-
Novobiocic acid
Novobiocic acid
ME162907
-
C12474
8.048765
-
Eplerenone
Eplerenone
ME161448
-
C12512
1.1493633
-
n-decanohydroxamic acid
N-Decanohydroxamic acid
ME161725
-
C12889
1.3747275
-
n-decanohydroxamic acid + 1.4612739
N-Decanohydroxamic acid
ME161756
-
C12889
1.4612739
-
Butoctamide hydrogen succinate
Listomin S
ME162762
-
C12946
6.989814
-
dl-alpha-Tocopherol nicotinate
Vitamin E Nicotinate
ME162719
-
C12981
6.8590055
-
Acetylsulfamethoxazole
-
ME163235
-
C13061
1.3136238
-
Faropenem
Faropenem
ME161914
-
C13310
2.1597743
-
Faropenem + 2.889555
Faropenem
ME163082
-
C13310
2.889555
-
Aniracetam
Aniracetam
ME162170
-
C13355
4.617007
-
4,5,6,7-Tetrahydroisoxazolo(5,4-c)pyridin-3-ol
-
ME162531
-
C13693
6.386847
-
IBMX
-
ME161700
-
C13708
1.302048
-
Batrachotoxin
Batrachotoxin
ME162590
-
C13750
6.643933
-
Gallopamil
Gallopamil
ME163129
-
C13764
5.9701333
-
2S-amino-tridecanoic acid
2S-Aminotridecanoic acid
ME162100
-
C13795
4.27988
-
2S-amino-tridecanoic acid + 6.56059
2S-Aminotridecanoic acid
ME162563
-
C13795
6.56059
-
Dihomo-?-linolenoyl-EA
Dihomo-gamma-linolenoyl-EA
ME161579
-
C13828
1.2450869
-
Stearamide
Stearamide
ME161437
-
C13846
1.1336201
-
1-AG
MG 20:4
ME162292
-
C13857
5.4568133
-
PS(16:0/18:1(9Z))[U]
PS 16:0/18:1(9Z)*
ME162295
-
C13880
5.4751906
-
N,N-dimethylsphing-4-enine
N,N-Dimethylsphingosine
ME161546
-
C13914
1.2188791
-
N,N-dimethylsphing-4-enine + 4.1255655
N,N-Dimethylsphingosine
ME162067
-
C13914
4.1255655
-
sec-Butylbenzene
-
ME163001
-
C14142
1.1326512
-
Cyclopropylamine
Cyclopropylamine
ME162757
-
C14150
6.960572
-
Prometon
Prometon
ME163299
-
C14186
7.9244475
-
Dibutyl phthalate
Dibutyl phthalate
ME161252
-
C14214
1.0597287
-
2,4-Dihydroxybenzophenone
2,4-Dihydroxybenzophenone
ME161831
-
C14215
1.7193168
-
4-Heptyloxyphenol
4-Heptyloxyphenol
ME161421
-
C14236
1.137754
-
4-Dodecylphenol
4-Dodecylphenol
ME161362
-
C14245
1.1330767
-
Demethyltexasin
Demethyltexasin
ME161160
-
C14314
0.7356324
-
Chlorocresol
-
ME163083
-
C14331
3.005084
-
alpha-Methylstyrene
-
ME161454
-
C14395
1.150304
-
1-Hydroxy-2-acetamidofluorene
-
ME162464
-
C14481
6.1592774
-
1,2,3-Trimethylbenzene
1,2,3-Trimethylbenzene
ME161460
-
C14518
1.1510674
-
Diisooctyl phthalate
Diisooctyl phthalate
ME161230
-
C14577
1.0447284
-
Melengestrol acetate
-
ME161496
-
C14642
1.1818823
-
Estradiol-17-phenylpropionate
-
ME163210
-
C14645
1.1060929
-
17-Ethynyl-10-hydroxy-19-nortestosterone
-
ME161393
-
C14670
1.1299831
-
Dicyclohexylamine
N,N-Dicyclohexylamine
ME162142
-
C14686
4.451823
-
Diethylene glycol
Diethylene glycol
ME163052
-
C14689
1.6272333
-
N-Hydroxy-1-aminonaphthalene
-
ME161841
-
C14789
1.7373525
-
2,3-dinor-11b-PGF2?
2,3-Dinor-11beta-PGF2alpha
ME162996
-
C14794
1.1282063
-
1-Nitronaphthalene-5,6-oxide
-
ME162182
-
C14800
4.657124
-
(±)9,10-DiHOME
9,10-DiHOME
ME161458
-
C14828
1.1475863
-
(±)9,10-DiHOME + 1.0888939
9,10-DiHOME
ME163207
-
C14828
1.0888939
-
17beta-Hydroxy-2alpha-(methoxymethyl)-17-methyl-5a...
-
ME161306
-
C14919
1.0802852
-
17-Propylestra-1,3,5(10)-triene-3,17beta-diol diac...
-
ME161394
-
C14947
1.1271217
-
17beta-(Acetylthio)estra-1,3,5(10)-trien-3-ol acet...
-
ME161918
-
C14955
2.1612184
-
2alpha-(Hydroxymethyl)-5alpha-androstane-3beta,17b...
2alpha-(Hydroxymethyl)-5alpha-androstane-3beta,17beta-diol
ME161314
-
C14970
1.0844821
-
AP 23573
-
ME162439
-
C15183
5.949091
-
17beta-Hydroxy-6beta-methyl-5alpha-androstan-3-one...
-
ME162329
-
C15331
5.6339655
-
Androst-4-ene-3alpha,17beta-diol diacetate
-
ME163109
-
C15423
5.011442
-
Taurohyocholic acid + 4.3186736
Taurohyocholic acid
ME162118
-
C15516
4.3186736
-
Taurohyocholic acid + 4.596465
Taurohyocholic acid
ME162164
-
C15516
4.596465
-
GW 9662
-
ME161178
-
C15627
0.9295518
-
24,25-epoxy-cholesterol
24,25-Epoxycholesterol
ME161374
-
C15632
1.1148764
-
Aureothin
Aureothin
ME162916
-
C15689
8.283623
-
Chivosazole F
-
ME162708
-
C15733
6.8318305
-
Chivosazole F + 7.4589205
-
ME163192
-
C15733
7.4589205
-
Ascidiacyclamide
-
ME161234
-
C15738
1.0455271
-
Enniatin B4
Enniatin B4
ME162445
-
C15757
5.9670935
-
Lankacidin C
-
ME163423
-
C15758
1.0817
-
Pederin
-
ME161536
-
C15760
1.2058316
-
Traumatic Acid
Traumatic acid
ME161390
-
C16308
1.1800236
-
Traumatic Acid + 1.2060251
Traumatic acid
ME163018
-
C16308
1.2060251
-
12-oxo-10E-dodecenoic acid
Traumatin
ME161400
-
C16309
1.1337296
-
methyl (+)-7-isojasmonate
Methyl-7-isojasmonate
ME163223
-
C16318
1.1494325
-
9(S)-HpOTrE
9S-HpOTrE
ME163012
-
C16321
1.1895744
-
Phlorizin chalcone
-
ME161882
-
C16406
1.9173528
-
4-Acetamido-2-amino-6-nitrotoluene
-
ME161951
-
C16420
2.5628643
-
Lysine
Lysine
ME163422
-
C16440
8.990875
-
12-trans-Hydroxy juvenile hormone III
-
ME161407
-
C16508
1.1292775
-
9E-heptadecenoic acid
(Z)-9-Heptadecenoic acid
ME162969
-
C16536
1.0719757
-
2-Hydroxyfelbamate
2-Hydroxyfelbamate
ME162541
-
C16582
6.4073725
-
7-Mercaptoheptanoylthreonine
-
ME162792
-
C16594
7.1226935
-
1,2-Diacetylhydrazine
-
ME163184
-
C16622
7.153519
-
Spergualin
Spergualin
ME161299
-
C16747
1.080361
-
Spergualin + 1.1258513
Spergualin
ME161388
-
C16747
1.1258513
-
AK-toxin I
AK toxin I
ME162901
-
C16787
7.926347
-
Hydnocarpic acid
Hydnocarpic acid
ME161490
-
C16795
1.1733196
-
Gambieric acid B
-
ME162695
-
C16886
6.79865
-
Dolastatin 11
-
ME162442
-
C16905
5.957612
-
Bufadienolide + 1.8836479
-
ME161874
-
C16921
1.8836479
-
Ectocarpen
Ectocarpen
ME161462
-
C16993
1.1514455
-
Palmitic Acid methyl ester
Methyl hexadecanoate
ME162119
-
C16995
4.325129
-
Indole-3-acetaldoxime N-oxide
Indole-3-acetaldoxime N-oxide
ME161803
-
C17204
1.6340783
-
Indole-3-acetaldoxime N-oxide + 5.5751677
Indole-3-acetaldoxime N-oxide
ME162311
-
C17204
5.5751677
-
Homomethionine
Homomethionine
ME161992
-
C17213
3.0937402
-
2-(3'-Methylthio)propylmalic acid
2-(3-Methylthiopropyl)malic acid
ME161220
-
C17214
1.0295202
-
2-(3'-Methylthio)propylmalic acid + 1.0449985
2-(3-Methylthiopropyl)malic acid
ME161229
-
C17214
1.0449985
-
Dihomomethionine
Dihomomethionine
ME161961
-
C17217
2.763817
-
2-(6'-Methylthio)hexylmalic acid
-
ME162873
-
C17226
7.648919
-
2-Oxo-9-methylthiononanoic acid
-
ME163049
-
C17228
1.5723234
-
S-(4-Methylthiobutylthiohydroximoyl)-L-cysteine
-
ME163141
-
C17242
6.2065043
-
Sugetriol
-
ME161533
-
C17502
1.2182125
-
Capsi-amide
Capsiamide
ME163315
-
C17515
1.0795077
-
Kukoamine B
-
ME161972
-
C17616
2.96017
-
5,6-Indolequinone-2-carboxylic acid
5,6-Indolequinone-2-carboxylic acid
ME163076
-
C17938
2.2974086
-
Fortimicin FU-10
-
ME162124
-
C17971
4.3575306
-
Istamycin C1
-
ME162078
-
C17996
4.1909657
-
3,3'-Biflaviolin
3,3'-Biflaviolin
ME161807
-
C18013
1.6538016
-
Deoxymiroestrol
Deoxymiroestrol
ME161263
-
C18164
1.0675449
-
Carboxynorspermidine
Carboxynorspermidine
ME162753
-
C18174
6.959584
-
5,6-epoxy-18R-HEPE
-
ME163219
-
C18175
1.1154392
-
1-Methoxypyrene-6,7-oxide
-
ME163077
-
C18262
2.3022802
-
Dimethametryn
-
ME163056
-
C18537
1.5883565
-
Sethoxydim
-
ME161781
-
C18539
1.5755668
-
Sethoxydim + 6.207309
-
ME162486
-
C18539
6.207309
-
Ferimzone
Ferimzone
ME161361
-
C18579
1.1297677
-
Ferimzone + 1.587867
Ferimzone
ME163057
-
C18579
1.587867
-
Azaconazole
-
ME162440
-
C18701
5.9486256
-
Metaldehyde
-
ME161928
-
C18744
2.288355
-
Ethyl 3-(N-butylacetamido)propionate
-
ME161730
-
C18830
1.4088768
-
Nitrilacarb
-
ME162937
-
C18954
9.017194
-
Methiuron
-
ME163353
-
C19086
2.9720387
-
Monuron
Monuron
ME162040
-
C19087
3.8713799
-
Sesamex
-
ME161747
-
C19146
1.4458069
-
Sesamex + 1.5498425
-
ME161777
-
C19146
1.5498425
-
4-Vinylcyclohexene
-
ME161444
-
C19310
1.1518548
-
11-amino-undecanoic acid
11-Aminoundecanoic acid
ME161712
-
C19325
1.3436909
-
11-amino-undecanoic acid + 1.4218489
11-Aminoundecanoic acid
ME161734
-
C19325
1.4218489
-
11-amino-undecanoic acid + 5.2308316
11-Aminoundecanoic acid
ME162271
-
C19325
5.2308316
-
1,2-Diamino-4-nitrobenzene
-
ME163078
-
C19384
2.2973633
-
Glycidyl oleate
-
ME161203
-
C19426
1.119708
-
4-(Methylnitrosamino)-1-(3-pyridyl)-1-butanol gluc...
-
ME162927
-
C19605
8.5739155
-
Aminopentol
-
ME161373
-
C19805
1.1181566
-
26-Hydroxycastasterone
-
ME161398
-
C19873
1.133569
-
Lasonolide A
-
ME163110
-
C19903
5.0245934
-
Cytochalasin B
Cytochalasin B
ME163255
-
C19954
4.311219
-
Clitidine
-
ME161994
-
C19977
3.1375344
-
Taxine B
-
ME162793
-
C19989
7.1898646
-
Iriomoteolide 1a
-
ME162711
-
C20009
6.840804
-
Decarbamoylsaxitoxin
-
ME161815
-
C20021
1.6776861
-
Gymnodimine
Gymnodimine
ME162324
-
C20025
5.623964
-
Gymnodimine + 6.7119865
Gymnodimine
ME162647
-
C20025
6.7119865
-
Gymnodimine + 6.8054833
Gymnodimine
ME162701
-
C20025
6.8054833
-
Pumiliotoxin A
-
ME162103
-
C20033
4.295532
-
CMP-pseudaminic acid
CMP-pseudaminic acid
ME163313
-
C20083
1.0360416
-
(±)11-HEDE
-
ME161290
-
-
1.0772122
-
1?,25-dihydroxy-24-oxo-23-azavitamin D2 / 1?,25-di...
-
ME162322
-
-
5.6232924
-
16(S)-HETE
-
ME163326
-
-
1.1067971
-
17,20-dimethyl Prostaglandin F1?
-
ME161563
-
-
1.2337272
-
1-(8-[3]-ladderane-octanoyl-2-(8-[3]-ladderane-oct...
-
ME162168
-
-
4.619491
-
19-(3-methyl-butanoyloxy)-villanovane-13alpha,17-d...
-
ME162538
-
-
6.4168506
-
1-Aminocyclohexanecarboxylic acid
1-Azaniumylcyclohexane-1-carboxylate
ME162790
-
-
7.1051326
-
1-Aminocyclohexanecarboxylic acid + 7.5476794
1-Azaniumylcyclohexane-1-carboxylate
ME162859
-
-
7.5476794
-
1-Aminocyclohexanecarboxylic acid + 8.401059
1-Azaniumylcyclohexane-1-carboxylate
ME162920
-
-
8.401059
-
1-Phenyl-2-(diethylamino)-1-propanol
-
ME161820
-
-
1.7104056
-
(22Z)-1?-hydroxy-22,23-didehydrovitamin D3 / (22Z)...
-
ME161384
-
-
1.1040775
-
(23S)-3?,7?,23-Trihydroxy-5?-cholan-24-oic Acid
-
ME161753
-
-
1.4736587
-
(23S)-3?,7?,23-Trihydroxy-5?-cholan-24-oic Acid + ...
-
ME161872
-
-
1.8877333
-
2,4,6,8-decatetraenal
2,4,6,8-Decatetraenal
ME161404
-
-
1.1285329
-
(2-Chlorophenyl)diphenylmethane
(2-Chlorophenyl)diphenylmethane
ME162592
-
-
6.6523366
-
2-Methylbutyrylglycine
2-Methylbutyrylglycine
ME161887
-
-
1.941181
-
3?,11?-Dihydroxy-12-oxo-5?-cholan-24-oic Acid
-
ME161282
-
-
1.0725418
-
3,4-Dihydroxybenzylamine
3,4-Dihydroxybenzylamine
ME161842
-
-
1.7464333
-
3-(a-Naphthoxy)lactic acid glucuronide
-
ME161973
-
-
2.9584527
-
3?-Hydroxy-12-oxo-5?-chol-6-en-24-oic Acid
-
ME163327
-
-
1.1548241
-
3-Hydroxy-4-methoxyphenylacetic acid
-
ME162958
-
-
0.9300586
-
3-Hydroxysuberic acid
3-Hydroxysuberic acid
ME161769
-
-
1.5365499
-
3-methoxy Prostaglandin F1?
-
ME161504
-
-
1.1862227
-
3-Methyl-2-butenoic acid
beta,beta-Dimethyl acrylic acid
ME161509
-
-
1.1939839
-
3-O-Methylanhydrotuberosin
3-O-Methylanhydrotuberosin
ME163306
-
-
0.7706163
-
3R-aminononanoic acid
3R-Aminononanoic acid
ME162446
-
-
6.019514
-
4,4-difluoro-1?,25-dihydroxyvitamin D3 / 4,4-diflu...
-
ME162990
-
-
1.113789
-
4,7,10,13-Hexadecatetraenoic acid
4,7,10,13-Hexadecatetraenoic acid
ME161336
-
-
1.0977863
-
4alpha-formyl-4beta-methyl-5alpha-cholesta-8,24-di...
4alpha-Formyl-4beta-methyl-5alpha-cholesta-8,24-dien-3beta-ol
ME161297
-
-
1.0767372
-
4-oxo-2-Nonenal
-
ME161304
-
-
1.1155127
-
5-(1-Hydroxyethyl)-4-methylthiazole
-
ME162874
-
-
7.64864
-
5,6-Dihydrouridine
5,6-Dihydrouridine
ME161855
-
-
1.8640534
-
5,7,2'-Trihydroxy-3,6,4',5'-tetramethoxyflavone
5,7,2'-Trihydroxy-3,6,4',5'-tetramethoxyflavone
ME163248
-
-
2.966713
-
5?-Chola-3,8(14),11-trien-24-oic Acid
-
ME161868
-
-
1.8787795
-
5?-Cholane-3?,7?,23,24-tetrol
-
ME162341
-
-
5.672421
-
5-Dodecenoic acid
5-Dodecenoic acid
ME161324
-
-
1.0899496
-
5-hexenal
5-Hexenal
ME162347
-
-
5.697753
-
5-Hydroxy-3,6,7,2',4',5'-hexamethoxyflavone
5-Hydroxy-3,6,7,2',4',5'-hexamethoxyflavone
ME163357
-
-
4.2780056
-
5-Methoxytryptophan
5-Methoxytryptophan
ME162216
-
-
4.7946258
-
5-Methylcytidine
5-Methylcytidine
ME162031
-
-
3.7899442
-
5-Methylcytidine + 6.077912
5-Methylcytidine
ME162452
-
-
6.077912
-
5-Methylcytidine + 9.106024
5-Methylcytidine
ME162943
-
-
9.106024
-
6'-Hydroxysiphonaxanthin
6'-Hydroxysiphonaxanthin
ME163408
-
-
5.4896264
-
6-methyltetrahydropterin
6-Methyltetrahydropterin
ME161912
-
-
2.1584811
-
7a-Hydroxy-3-oxo-4-cholenoic acid
-
ME162966
-
-
1.1145232
-
8-hydroxy Guanosine
8-Hydroxyguanosine
ME161905
-
-
2.127978
-
8(S)-HETrE
8S-HETrE
ME163322
-
-
1.1339425
-
9,12-dioxo-dodecanoic acid
9,12-Dioxo-dodecanoic acid
ME163428
-
-
1.2607647
-
9,12-octadecadienal
9,12-Octadecadienal
ME163005
-
-
1.1570152
-
9-dodecynoic acid
9-Dodecynoic acid
ME161479
-
-
1.1462369
-
9Z-undecenoic acid
9Z-Undecenoic acid
ME163429
-
-
1.2570957
-
Amiprilose
-
ME162890
-
-
7.8175416
-
Arg Arg Arg
Arg-Arg-Arg
ME163376
-
-
5.9671884
-
Arg Arg Met
Arg-Arg-Met
ME163068
-
-
1.867821
-
Asn-Abu-OH
-
ME162944
-
-
9.107249
-
Asn Cys Cys
Asn-Cys-Cys
ME161876
-
-
1.892552
-
Avocadyne acetate
-
ME163000
-
-
1.1433647
-
C18-OH Sulfatide
-
ME162342
-
-
5.662143
-
C25:4 Highly branched isoprenoid B
-
ME162959
-
-
1.0928196
-
Capryloylglycine
Capryloylglycine
ME161751
-
-
1.4579339
-
carboprost
Carboprost
ME161418
-
-
1.1337794
-
CE(20:4)
CE 20:4
ME162972
-
-
1.0774299
-
Cer(d18:2/16:0)
Cer 18:2;O2/16:0
ME162986
-
-
1.1204612
-
Chalconaringenin 2',4'-di-O-glucoside
Chalconaringenin 2',4'-di-O-glucoside
ME163362
-
-
5.4650803
-
clavirin II
Clavirin II
ME162361
-
-
5.726158
-
Corey PG-Lactone Diol
-
ME162559
-
-
6.5342627
-
Corey PG-Lactone Diol + 1.133648
-
ME163217
-
-
1.133648
-
Cys His Ser
Cys-His-Ser
ME162616
-
-
6.6672487
-
DG(15:0/16:1(9Z)/0:0)
DG 15:0/16:1(9Z)/0:0*
ME161273
-
-
1.0733875
-
DG(15:0/18:4(6Z,9Z,12Z,15Z)/0:0)
DG 15:0/18:4(6Z,9Z,12Z,15Z)/0:0*
ME161305
-
-
1.0844543
-
DG(15:0/22:5(7Z,10Z,13Z,16Z,19Z)/0:0)
DG 15:0/22:5(7Z,10Z,13Z,16Z,19Z)/0:0*
ME163328
-
-
1.1618862
-
DG(15:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/0:0)
DG 15:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/0:0*
ME163226
-
-
1.1819592
-
DG(18:2(9Z,12Z)/18:3(6Z,9Z,12Z)/0:0)
DG 18:2(9Z,12Z)/18:3(6Z,9Z,12Z)/0:0*
ME163312
-
-
1.0234065
-
DG(18:3(6Z,9Z,12Z)/20:4(5Z,8Z,11Z,14Z)/0:0)
DG 18:3(6Z,9Z,12Z)/20:4(5Z,8Z,11Z,14Z)/0:0*
ME163311
-
-
1.0194954
-
DG(20:3(5Z,8Z,11Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/0:0...
DG 20:3(5Z,8Z,11Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/0:0*
ME162992
-
-
1.1243834
-
DG(22:4(7Z,10Z,13Z,16Z)/22:2(13Z,16Z)/0:0)
DG 22:4(7Z,10Z,13Z,16Z)/22:2(13Z,16Z)/0:0*
ME161344
-
-
1.1028801
-
DG(22:4(7Z,10Z,13Z,16Z)/22:5(4Z,7Z,10Z,13Z,16Z)/0:...
DG 22:4(7Z,10Z,13Z,16Z)/22:5(4Z,7Z,10Z,13Z,16Z)/0:0*
ME161372
-
-
1.118149
-
DGDG(18:2(9Z,12Z)/18:2(9Z,12Z)[15(R)OH-18:2(9Z,12Z...
-
ME163361
-
-
5.452849
-
Dihydroartemisinin
Dihydroartemisinin
ME163180
-
-
7.1035924
-
Dinor-PGD2
Dinor-PGD2
ME161424
-
-
1.1428493
-
DL-2-Aminooctanoic acid
2-Aminocaprylic acid
ME161794
-
-
1.6105052
-
DL-2-amino-octanoic acid + 6.4934916
2-Aminocaprylic acid
ME162553
-
-
6.4934916
-
DL-2-amino-octanoic acid + 7.0471787
2-Aminocaprylic acid
ME162773
-
-
7.0471787
-
Eicosanedioic acid
Eicosanedioic acid
ME163325
-
-
1.1674825
-
Epinephrine sulfate
Epinephrine sulfate
ME161175
-
-
0.88739944
-
Erythrohydrobupropion
Erythrohydrobupropion
ME162115
-
-
4.3161874
-
Ethambutol aldehyde
-
ME161897
-
-
2.0545263
-
GalCer(d18:2/22:0)
GalCer 18:2;O2/22:0
ME161687
-
-
1.28474
-
Gln Trp Glu
Gln-Trp-Glu
ME163366
-
-
5.655397
-
Gly Cys Trp
Gly-Cys-Trp
ME161693
-
-
1.2832457
-
Gö 6983
-
ME162978
-
-
1.0808438
-
HA-1077
-
ME162788
-
-
7.1036997
-
HPF
-
ME161779
-
-
1.5569327
-
Isovalerylalanine
Isovalerylalanine
ME162001
-
-
3.2196655
-
L-alpha-Aspartyl-L-hydroxyproline
-
ME161854
-
-
1.8584633
-
L-beta-aspartyl-L-threonine
-
ME161996
-
-
3.153038
-
Leucodelphinidin 3-O-(beta-D-glucopyranosyl-(1-4)-...
-
ME162321
-
-
5.624102
-
Leu Tyr
Leu-Tyr
ME161880
-
-
1.8959446
-
(±)-Limonene
Limonene
ME163404
-
-
1.2596614
-
Linoleoyl Ethanolamide
Linoleoyl-EA
ME161506
-
-
1.1889015
-
L-isoleucyl-L-proline
Ile-Pro
ME162911
-
-
8.215546
-
L-isoleucyl-L-proline + 8.420621
Ile-Pro
ME162922
-
-
8.420621
-
Lovastatin acid (Mevinolinic acid)
-
ME163123
-
-
5.9288664
-
Loxoprofen Metabolite (b-D-Glucopyranuronic acid, ...
-
ME163245
-
-
2.1652963
-
Lupanyl Acid
-
ME161943
-
-
2.3022113
-
Lupanyl Acid + 3.9595964
-
ME162043
-
-
3.9595964
-
Lys-Lys-OH
-
ME162004
-
-
3.347584
-
LysoPE(0:0/16:0)
LPE 0:0/16:0
ME162353
-
-
5.7185373
-
LysoPE(0:0/16:1(9Z))
LPE 0:0/16:1(9Z)
ME163190
-
-
7.323031
-
LysoPE(0:0/18:0)
LPE 0:0/18:0
ME162337
-
-
5.6583056
-
LysoPE(0:0/18:0) + 6.773583
LPE 0:0/18:0
ME162684
-
-
6.773583
-
LysoPE(0:0/18:0) + 6.8673964
LPE 0:0/18:0
ME162722
-
-
6.8673964
-
LysoPE(0:0/18:1(11Z))
LPE 0:0/18:1(11Z)
ME162307
-
-
5.568454
-
LysoPE(0:0/18:1(11Z)) + 5.671535
LPE 0:0/18:1(11Z)
ME162340
-
-
5.671535
-
LysoPE(0:0/20:0)
LPE 0:0/20:0
ME162630
-
-
6.6885204
-
LysoPE(0:0/20:0) + 6.7854633
LPE 0:0/20:0
ME162689
-
-
6.7854633
-
LysoPE(0:0/22:0)
LPE 0:0/22:0
ME162581
-
-
6.621859
-
LysoPE(0:0/22:0) + 6.722954
LPE 0:0/22:0
ME162657
-
-
6.722954
-
LysoPE(0:0/22:1(13Z))
LPE 0:0/22:1(13Z)*
ME162668
-
-
6.736052
-
LysoPE(0:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))
LPE 0:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)*
ME162325
-
-
5.6248355
-
Lys Thr Trp
Lys-Thr-Trp
ME161847
-
-
1.7659953
-
Mesquitol-4beta-ol 3,8-dimethyl ether
Mesquitol-4beta-ol 3,8-dimethyl ether
ME162495
-
-
6.25176
-
Met Gly His
Met-Gly-His
ME163088
-
-
3.1577623
-
methyl 8-[2-(2-formyl-vinyl)-3-hydroxy-5-oxo-cyclo...
-
ME162130
-
-
4.381767
-
Methyl N-butyrylglycine
-
ME163350
-
-
2.2263994
-
MG(0:0/16:0/0:0)
MG 0:0/16:0/0:0
ME161375
-
-
1.1527176
-
MG(0:0/18:1(9Z)/0:0)
MG 0:0/18:1(9Z)/0:0
ME161470
-
-
1.1561633
-
MG(0:0/18:3(6Z,9Z,12Z)/0:0)
MG 0:0/18:3(6Z,9Z,12Z)/0:0*
ME161403
-
-
1.131286
-
MG(0:0/20:2(11Z,14Z)/0:0)
MG 0:0/20:2(11Z,14Z)/0:0*
ME161363
-
-
1.1227365
-
MG(0:0/22:2(13Z,16Z)/0:0)
MG 0:0/22:2(13Z,16Z)/0:0*
ME161342
-
-
1.1036906
-
MG(0:0/24:1(15Z)/0:0)
MG 0:0/24:1(15Z)/0:0
ME161950
-
-
2.5377781
-
MG(18:0/0:0/0:0)
MG 18:0/0:0/0:0
ME161347
-
-
1.1036855
-
MID42329:(22S)-1?,22,25-trihydroxy-26,27-dimethyl-...
-
ME162468
-
-
6.160147
-
N1,N4-Diacetylsulfanilamide
-
ME163321
-
-
1.1239978
-
N2,N2-Dimethylguanosine
N2,N2-Dimethylguanosine
ME162027
-
-
3.7350883
-
N4-Acetylcytidine
N4-Acetylcytidine
ME161942
-
-
2.301084
-
N?-Acetyl-L-arginine
N-Acetylarginine
ME163377
-
-
5.9756985
-
N-acetyl-S-geranylgeranyl-L-Cysteine
-
ME163221
-
-
1.1228797
-
Nap-Ile-OH
-
ME162380
-
-
5.8366666
-
N-dodecanoyl-L-Homoserine lactone
N-Dodecanoyl-homoserine lactone
ME162258
-
-
5.046059
-
N-hexanoyl-L-Homoserine lactone
-
ME163043
-
-
1.3703777
-
N-Methylhistamine
1-Methylhistamine
ME163191
-
-
7.392769
-
N-oleoyl ethanolamine + 1.2216221
Oleoyl-EA
ME161548
-
-
1.2216221
-
Nonoxynol-9
Nonoxynol-9
ME163343
-
-
1.6426911
-
Norepinephrine sulfate
Norepinephrine sulfate
ME161182
-
-
0.9953287
-
Norepinephrine sulfate + 1.0737517
Norepinephrine sulfate
ME161269
-
-
1.0737517
-
Norharman
beta-Carboline
ME163351
-
-
2.7481444
-
N-palmitoyl glutamic acid
N-Palmitoyl glutamic acid
ME162521
-
-
6.3549566
-
N-palmitoyl glutamic acid + 6.5176063
N-Palmitoyl glutamic acid
ME162556
-
-
6.5176063
-
N-Valerylglycine methyl ester
-
ME161805
-
-
1.648754
-
Okanin 4'-(4''-acetyl-6''-p-coumarylglucoside)
-
ME161338
-
-
1.1057636
-
Oleoyl Ethanolamide
Oleoyl-EA
ME161488
-
-
1.1765511
-
Oleoyl Serotonin
-
ME163318
-
-
1.1045661
-
PA(20:2(11Z,14Z)/19:0)
PA 20:2(11Z,14Z)/19:0*
ME163319
-
-
1.1157641
-
PA(O-18:0/12:0)
PA O-18:0/12:0
ME162709
-
-
6.831672
-
PD 173074
PD173074
ME162533
-
-
6.382411
-
PE(14:0/10:0)[U]
PE 14:0/10:0*
ME163388
-
-
6.6751556
-
PE(17:0/22:4(7Z,10Z,13Z,16Z))
PE 17:0/22:4(7Z,10Z,13Z,16Z)*
ME162297
-
-
5.491455
-
PE(20:2(11Z,14Z)/21:0)
PE 20:2(11Z,14Z)/21:0*
ME162453
-
-
6.132487
-
PE(20:3(8Z,11Z,14Z)/17:0)
PE 20:3(8Z,11Z,14Z)/17:0*
ME162472
-
-
6.161041
-
PE(22:4(7Z,10Z,13Z,16Z)/19:0)
PE 22:4(7Z,10Z,13Z,16Z)/19:0*
ME161629
-
-
1.265828
-
PE(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:1(11Z))
PE 22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:1(11Z)*
ME163118
-
-
5.4764686
-
PE(O-18:0/0:0)
PE O-18:0/0:0*
ME162359
-
-
5.7415977
-
PE(P-18:0/17:2(9Z,12Z))
PE P-18:0/17:2(9Z,12Z)*
ME163365
-
-
5.6195655
-
PE(P-18:0/22:4(7Z,10Z,13Z,16Z))
PE P-18:0/22:4(7Z,10Z,13Z,16Z)*
ME163407
-
-
4.829559
-
PE(P-20:0/17:1(9Z))
PE P-20:0/17:1(9Z)*
ME162296
-
-
5.457796
-
PG(18:1(11Z)/18:1(9Z))
PG 18:1(11Z)/18:1(9Z)*
ME162971
-
-
1.1199673
-
PG(18:1(11Z)/20:3(5Z,8Z,11Z))
PG 18:1(11Z)/20:3(5Z,8Z,11Z)*
ME162429
-
-
5.9455495
-
Phe Gly Phe Gly
-
ME163345
-
-
1.6964256
-
PI(16:0/20:5(5Z,8Z,11Z,14Z,17Z))
PI 16:0/20:5(5Z,8Z,11Z,14Z,17Z)*
ME162198
-
-
4.7613006
-
PI(16:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))
PI 16:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)*
ME162186
-
-
4.6667156
-
PI(18:1(9Z)/18:2(9Z,12Z))
PI 18:1(9Z)/18:2(9Z,12Z)*
ME162192
-
-
4.7104692
-
PI(18:1(9Z)/20:5(5Z,8Z,11Z,14Z,17Z))
PI 18:1(9Z)/20:5(5Z,8Z,11Z,14Z,17Z)*
ME162176
-
-
4.652464
-
PI(22:1(11Z)/22:4(7Z,10Z,13Z,16Z))
PI 22:1(11Z)/22:4(7Z,10Z,13Z,16Z)*
ME162441
-
-
5.9566607
-
Poloxalene
-
ME161735
-
-
1.4281267
-
Primflasine
Primflasine
ME161239
-
-
1.049438
-
Prosopinine
Prosopinine
ME161677
-
-
1.253655
-
Pro Trp Cys
Pro-Trp-Cys
ME161287
-
-
1.0761787
-
PS(14:1(9Z)/0:0)
PS 14:1(9Z)/0:0
ME162883
-
-
7.703299
-
PS(20:0/0:0)
LPS 20:0/0:0
ME162633
-
-
6.7352467
-
PS(21:0/20:4(5Z,8Z,11Z,14Z))
PS 21:0/20:4(5Z,8Z,11Z,14Z)*
ME162444
-
-
5.963296
-
PS(21:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))
PS 21:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)*
ME163363
-
-
5.4804873
-
PS(22:4(7Z,10Z,13Z,16Z)/0:0)
PS 22:4(7Z,10Z,13Z,16Z)/0:0*
ME163161
-
-
6.735529
-
PS(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:1(11Z))
PS 22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:1(11Z)*
ME162414
-
-
5.8326197
-
PS(P-20:0/20:3(8Z,11Z,14Z))
PS P-20:0/20:3(8Z,11Z,14Z)*
ME162293
-
-
5.4770684
-
(R)-benzyl Mandelate
-
ME161164
-
-
0.76998836
-
Resveratrol 4'-Methyl Ether
-
ME163097
-
-
4.149179
-
Stypoltrione
-
ME163329
-
-
1.1792867
-
TG(16:0/17:2(9Z,12Z)/18:2(9Z,12Z))[iso6]
TG 16:0/17:2(9Z,12Z)/18:2(9Z,12Z)*
ME161283
-
-
1.0744252
-
TG(17:0/17:1(10Z)/17:0) (d5)
TG 17:0/17:1(10Z)/17:0*
ME161691
-
-
1.2885
-
TG(18:2(9Z,12Z)/14:0/18:2(9Z,12Z))[iso3]
TG 18:2(9Z,12Z)/14:0/18:2(9Z,12Z)*
ME161256
-
-
1.0698285
-
TG(18:2(9Z,12Z)/18:2(9Z,12Z)/18:3(6Z,9Z,12Z))[iso3...
TG 18:2(9Z,12Z)/18:2(9Z,12Z)/18:3(6Z,9Z,12Z)*
ME162968
-
-
1.0649006
-
Thr Phe Asp
Thr-Phe-Asp
ME162908
-
-
8.075741
-
Thr Trp Asn
Thr-Trp-Asn
ME161309
-
-
1.0880101
-
Tumonoic Acid I
-
ME163317
-
-
1.0914599
-
Tyr Glu Ile
Tyr-Glu-Ile
ME162872
-
-
7.6439857
-
Val Ile
Val-Ile
ME162934
-
-
8.871842
-
Xeniasterol-a
Xeniasterol-a
ME163202
-
-
1.0918106
-
ZK 168281
ZK 168281
ME162202
-
-
4.69521
-
ZK 168281 + 3.9079714
ZK 168281
ME163415
-
-
3.9079714
-
Analysis: HILIC NEGATIVE ION MODE
Select
Metabolite Name
RefMet Name/Standardized Name*
WorkBenchMetabolite_ID
PubChemCompound_ID
Kegg Id
Retentiontime/index
m/z ratio
Succinic acid
Succinic acid
ME163966
-
C00042
1.8672279
-
Succinic acid - 2.118289
Succinic acid
ME164011
-
C00042
2.118289
-
L-Ascorbic acid
Vitamin C
ME163455
-
C00072
0.7367018
-
L-Methionine
Methionine
ME164280
-
C00073
6.1970496
-
Uracil
Uracil
ME163889
-
C00106
1.456582
-
Uracil - 3.6865609
Uracil
ME164112
-
C00106
3.6865609
-
L-Leucine
Leucine
ME164261
-
C00123
6.1090474
-
D-Alanine
D-Alanine
ME164401
-
C00133
7.307549
-
Phenol
Phenol
ME163471
-
C00146
0.77064246
-
Propionic acid
Propionic acid
ME163967
-
C00163
1.8676617
-
Acetoacetic acid
Acetoacetic acid
ME164080
-
C00164
2.8895628
-
?-Hydroxypyruvic acid
Hydroxypyruvic acid
ME164145
-
C00168
4.64277
-
Benzoic acid
Benzoic acid
ME163736
-
C00180
1.1223295
-
2,3-Dihydroxybenzoic acid
2-Pyrocatechuic acid
ME163515
-
C00196
0.832319
-
Sarcosine
Sarcosine
ME164487
-
C00213
3.5752156
-
Thymidine
Thymidine
ME163923
-
C00214
1.5883137
-
Arachidonic Acid (peroxide free)
Arachidonic acid
ME163629
-
C00219
1.0694298
-
Taurine
Taurine
ME164179
-
C00245
5.5811996
-
Palmitic acid
Palmitic acid
ME163638
-
C00249
1.0750768
-
Palmitic acid - 6.8347077
Palmitic acid
ME164375
-
C00249
6.8347077
-
edetate
Edetic acid
ME163959
-
C00284
1.8477808
-
Orotic acid
Orotic acid
ME164111
-
C00295
3.6877422
-
Uridine
Uridine
ME163948
-
C00299
1.7130746
-
Uridine - 2.2936547
Uridine
ME164057
-
C00299
2.2936547
-
PE(20:2(11Z,14Z)/18:2(9Z,12Z))
PE 20:2(11Z,14Z)/18:2(9Z,12Z)*
ME164163
-
C00350
4.801623
-
PE(20:3(5Z,8Z,11Z)/18:3(6Z,9Z,12Z))
PE 20:3(5Z,8Z,11Z)/18:3(6Z,9Z,12Z)*
ME164162
-
C00350
4.777125
-
PE(20:3(5Z,8Z,11Z)/20:3(5Z,8Z,11Z))
PE 20:3(5Z,8Z,11Z)/20:3(5Z,8Z,11Z)*
ME164490
-
C00350
5.420885
-
PE(20:3(8Z,11Z,14Z)/20:3(8Z,11Z,14Z))
PE 20:3(8Z,11Z,14Z)/20:3(8Z,11Z,14Z)*
ME164161
-
C00350
4.771625
-
PE(20:3(8Z,11Z,14Z)/20:4(5Z,8Z,11Z,14Z))
PE 20:3(8Z,11Z,14Z)/20:4(5Z,8Z,11Z,14Z)*
ME164156
-
C00350
4.7443237
-
PE(20:3(8Z,11Z,14Z)/P-18:0)
-
ME164593
-
C00350
4.841394
-
PE(22:4(7Z,10Z,13Z,16Z)/P-18:1(9Z))
-
ME164165
-
C00350
4.7987056
-
PE(22:5(7Z,10Z,13Z,16Z,19Z)/P-18:1(11Z))
-
ME164155
-
C00350
4.7289543
-
Uric acid
Uric acid
ME164115
-
C00366
3.790449
-
Xanthine
Xanthine
ME163979
-
C00385
2.0160277
-
Guanosine
Guanosine
ME164125
-
C00387
4.06969
-
L-Isoleucine
Isoleucine
ME164272
-
C00407
6.1858974
-
Indole
Indole
ME164126
-
C00463
4.094502
-
Indole - 5.8447213
Indole
ME164228
-
C00463
5.8447213
-
Cytidine
Cytidine
ME164128
-
C00475
4.232026
-
Cytidine - 9.126549
Cytidine
ME164407
-
C00475
9.126549
-
Glutaric acid
Glutaric acid
ME163939
-
C00489
1.674779
-
Pantoic acid
(R)-Pantoic acid
ME164467
-
C00522
1.8465428
-
D-Tryptophan
D-Tryptophan
ME164413
-
C00525
1.0612248
-
2'-Deoxyuridine
Deoxyuridine
ME163935
-
C00526
1.6549358
-
Hydroquinone
Hydroquinone
ME163450
-
C00530
0.7317022
-
Hydroquinone - 0.8294034
Hydroquinone
ME163509
-
C00530
0.8294034
-
Methylglyoxal
Pyruvaldehyde
ME163927
-
C00546
1.596375
-
meso-Tartaric acid
Meso-tartaric acid
ME163600
-
C00552
1.0218455
-
3-Sulfino-L-alanine
3-Sulfino-alanine
ME164077
-
C00606
2.8190246
-
PI(18:1(11Z)/16:1(9Z))
PI 18:1(11Z)/16:1(9Z)*
ME164158
-
C00626
4.7577825
-
PI(18:1(9Z)/18:1(9Z))
PI 18:1(9Z)/18:1(9Z)*
ME164153
-
C00626
4.7284927
-
PI(20:3(5Z,8Z,11Z)/18:1(11Z))
PI 20:3(5Z,8Z,11Z)/18:1(11Z)*
ME164143
-
C00626
4.6371
-
PI(20:4(8Z,11Z,14Z,17Z)/16:0)
PI 20:4(8Z,11Z,14Z,17Z)/16:0*
ME164148
-
C00626
4.6654606
-
PI(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/18:0)
PI 22:6(4Z,7Z,10Z,13Z,16Z,19Z)/18:0*
ME164140
-
C00626
4.6102796
-
PGF2?
PGF2
ME163840
-
C00639
1.2394578
-
3-Methyl-2-oxovaleric acid
3-Methyl-2-oxovaleric acid
ME164480
-
C00671
2.4238033
-
DL-Serine
Serine
ME164362
-
C00716
6.8079095
-
D-Proline
D-Proline
ME164308
-
C00763
6.662177
-
Urocanic acid
Urocanic acid
ME164572
-
C00785
2.7396026
-
Creatinine
Creatinine
ME164133
-
C00791
4.383683
-
D-Sorbitol
Sorbitol
ME164100
-
C00794
3.36174
-
Tryptophan
Tryptophan
ME164231
-
C00806
5.844762
-
Barbiturate
Barbituric acid
ME163747
-
C00813
1.125763
-
D-Glutamine
D-Glutamine
ME164398
-
C00819
7.177983
-
Phenyl sulfate
Phenyl hydrogen sulfate
ME163469
-
C00850
0.77008986
-
Pantothenic Acid
Pantothenic acid
ME164059
-
C00864
2.5208025
-
3-Indoleacetic Acid
Indoleacetic acid
ME164523
-
C00954
1.181309
-
4-hydroxybutanoic acid
4-Hydroxybutyric acid
ME163910
-
C00989
1.5669972
-
KAPA
Acetoacetic acid
ME163903
-
C01092
1.5392792
-
KAPA - 2.9342902
Acetoacetic acid
ME164485
-
C01092
2.9342902
-
4-Hydroxyphenylpyruvic acid
4-Hydroxyphenylpyruvic acid
ME163477
-
C01179
0.78605634
-
4-(2-Aminophenyl)-2,4-dioxobutanoic acid
4-(2-Aminophenyl)-2,4-dioxobutanoic acid
ME163930
-
C01252
1.6341451
-
Lactic acid
Lactic acid
ME164064
-
C01432
2.5364687
-
m-Cresol
m-Cresol
ME163857
-
C01467
1.2975398
-
Allysine
Allysine
ME164124
-
C01475
4.075222
-
Stearic acid
Stearic acid
ME163623
-
C01530
1.0680251
-
Stearic acid - 6.7605224
Stearic acid
ME164343
-
C01530
6.7605224
-
DL-Tyrosine
Tyrosine
ME164273
-
C01536
6.186845
-
DL-Tyrosine - 6.185105
Tyrosine
ME164498
-
C01536
6.185105
-
Allantoin
Allantoin
ME163971
-
C01551
1.8811419
-
Hippuric acid
Hippuric acid
ME164538
-
C01586
3.1511285
-
Tauropine
Tauropine
ME164088
-
C01616
2.9571037
-
Ribonic acid
Ribonic acid
ME163599
-
C01685
1.0155679
-
Dulcitol
Galactitol
ME164202
-
C01697
5.8264937
-
Xanthosine
Xanthosine
ME164537
-
C01762
3.071348
-
o-Coumaric acid
trans-o-Coumaric acid
ME163821
-
C01772
1.1895788
-
Kanamycin
Kanamycin
ME163962
-
C01822
1.8806869
-
Pyroglutamic acid
Pyroglutamic acid
ME164285
-
C01879
6.2150803
-
Pyroglutamic acid - 6.2167535
Pyroglutamic acid
ME164499
-
C01879
6.2167535
-
Aspulvinone H
Aspulvinone H
ME163796
-
C02008
1.164044
-
Sedoheptulose
Glucoheptulose
ME164032
-
C02076
2.145603
-
2-Naphthylamine
2-Aminonaphthalene
ME164220
-
C02227
5.844705
-
D-Phenylalanine
D-Phenylalanine
ME164249
-
C02265
5.967726
-
3-Methyloxindole
3-Methyloxindole
ME163901
-
C02366
1.5397656
-
3-oxo-dodecanoic acid
3-Oxododecanoic acid
ME164445
-
C02367
1.1906193
-
p-Benzosemiquinone
-
ME163454
-
C02389
0.7324581
-
(6S)-dehydrovomifoliol
(6S)-Dehydrovomifoliol
ME163719
-
C02533
1.1223623
-
Dodecanedioic acid
Dodecanedioic acid
ME163807
-
C02678
1.1756431
-
Monomethyl sulfate
Methyl sulfate
ME163579
-
C02704
0.95406026
-
N4-Phosphoagmatine
N(4)-Phosphoagmatine
ME163854
-
C02726
1.2385699
-
4-Hydroxy-6-methylpyran-2-one
-
ME163606
-
C02752
1.0439814
-
Ascorbate 2-sulfate
-
ME163456
-
C02812
0.7367556
-
D-Glucose 6-sulfate
D-Glucose 6-sulfate
ME163716
-
C02827
1.1156061
-
Homoserine lactone
Homoserine lactone
ME164198
-
C02926
5.819209
-
3,4-Dihydroxypyridine
-
ME163945
-
C02932
1.7126181
-
Palmitoyl glucuronide
Palmitoyl glucuronide
ME163756
-
C03033
1.1297914
-
2S-hydroxy-octadecanoic acid
-
ME163699
-
C03045
1.1116574
-
N-Acetyl-D-tryptophan
N-Acetyl-D-tryptophan
ME164097
-
C03137
3.2113614
-
N-Formylmethionine
N-Formylmethionine
ME164127
-
C03145
4.1363745
-
D-Leucic acid
D-Leucic acid
ME163868
-
C03264
1.3888779
-
N-Acetylgalactosaminate
N-Acetylgalactosaminate
ME164274
-
C03408
6.187944
-
5-Methyldeoxycytidine
5-Methyldeoxycytidine
ME164029
-
C03592
2.1256495
-
S-(Carboxymethyl)-L-cysteine
S-Carboxymethyl-cysteine
ME164105
-
C03727
3.4960835
-
3-Imidazole-2-oxopropanoate
3-Imidazol-1-yl-2-oxopropanoic acid
ME164058
-
C03762
2.2933838
-
Ethyl (R)-3-hydroxyhexanoate
Ethyl (R)-3-hydroxyhexanoate
ME163858
-
C03864
1.3056948
-
Oxidized Watasenia luciferin
Oxidized Watasenia luciferin
ME163725
-
C03888
1.1172457
-
3-(2,3-Dihydroxyphenyl)propanoate
-
ME164061
-
C04044
2.5484023
-
3,5-Dihydroxy-1,4-naphthoquinone
-
ME163985
-
C04110
2.1146555
-
all-trans-heptaprenyl diphosphate
All-trans-heptaprenyl diphosphate
ME163652
-
C04216
1.0842626
-
3?,7?-Dihydroxy-5?-cholestanate - 1.2261018
3alpha,7alpha-Dihydroxy-5beta-cholestanoic acid
ME163844
-
C04554
1.2261018
-
12,13S-epoxy-9Z,11-octadecadienoic acid
-
ME163659
-
C04594
1.0892818
-
3-Hydroxy-2-methylpyridine-4,5-dicarboxylate
3-Hydroxy-2-methylpyridine-4,5-dicarboxylate
ME163775
-
C04604
1.1547
-
5-Amino-1-ribofuranosylimidazole-4-carboxyamide
5-Amino-1-Ribofuranosylimidazole-4-carboxyamide
ME164019
-
C04663
2.1273518
-
15-keto-PGE2
15-Keto-PGE2
ME163805
-
C04707
1.1754178
-
13(S)-HpODE
13S-HpODE
ME163754
-
C04717
1.134
-
methyl (2E,6E,10R,11S)-10,11-epoxy-3,7,11-trimethy...
-
ME163730
-
C04867
1.1182053
-
2-Hydroxyethanesulfonate
2-Hydroxyethanesulfonate
ME164022
-
C05123
2.1209927
-
Taurochenodeoxycholic acid
Taurochenodeoxycholic acid
ME164108
-
C05465
3.5944006
-
Taurochenodeoxycholic acid - 3.6667702
Taurochenodeoxycholic acid
ME164113
-
C05465
3.6667702
-
4-hydroxy-2-oxo-Heptanedioic acid
4-Hydroxy-2-oxo-heptanedioic acid
ME163842
-
C05601
1.2411244
-
D-(+)-3-Phenyllactic acid
L-3-Phenyllactic acid
ME163545
-
C05607
0.8846165
-
5-Hydroxyindoleacetic acid
5-Hydroxyindoleacetic acid
ME163902
-
C05635
1.5397311
-
4,6-Dihydroxyquinoline
4,6-Dihydroxyquinoline
ME164590
-
C05639
0.8331557
-
5-Methoxyindoleacetate
5-Methoxyindoleacetic acid
ME164539
-
C05660
3.2937427
-
3-Methyldioxyindole
3-Methyldioxyindole
ME163931
-
C05834
1.634772
-
20-carboxy-LTB4
20-Carboxy-LTB4
ME163698
-
C05950
1.106462
-
DL-a-Hydroxybutyric acid
2R-Hydroxybutyric acid
ME163876
-
C05984
1.4291327
-
Lactaldehyde
Lactaldehyde
ME163879
-
C05999
1.4284569
-
Lactaldehyde - 2.1190975
Lactaldehyde
ME164018
-
C05999
2.1190975
-
Adipic acid
Adipic acid
ME163895
-
C06104
1.4991586
-
Ganglioside GA2 (d18:1/16:0)
-
ME164338
-
C06135
6.746597
-
Ganglioside GA2 (d18:1/9Z-18:1)
-
ME164348
-
C06135
6.7670865
-
3,4-Dihydroxystyrene
3,4-Dihydroxystyrene
ME163478
-
C06224
0.78497297
-
3-Sulfocatechol
3-Sulfocatechol
ME163451
-
C06336
0.731612
-
4-Quinolinecarboxylic acid
4-Quinolinecarboxylic acid
ME163830
-
C06414
1.221552
-
?-Linolenic Acid
Octadecatrienoic acid
ME163639
-
C06427
1.0758681
-
Erythromycin C
Erythromycin C
ME164552
-
C06616
7.041082
-
Dihydroclavaminic acid
Dihydroclavaminic acid
ME164549
-
C06659
6.4773746
-
4-Sulfobenzyl alcohol
-
ME163474
-
C06678
0.778158
-
5,6-Dihydroxy-3-methyl-2-oxo-1,2,5,6-tetrahydroqui...
-
ME164099
-
C06726
3.3263607
-
Cefaclor
Cefaclor
ME163472
-
C06877
0.7712111
-
Spirodilactone
-
ME163982
-
C06986
2.1147382
-
Fexofenadine
Fexofenadine
ME164174
-
C06999
5.5387588
-
Fexofenadine - 5.6491313
Fexofenadine
ME164185
-
C06999
5.6491313
-
Losartan
Losartan
ME164439
-
C07072
1.1650151
-
Phenylacetic acid
Phenylacetic acid
ME163750
-
C07086
1.1291705
-
Phenylacetic acid - 2.5097709
Phenylacetic acid
ME164060
-
C07086
2.5097709
-
Vidarabine
Vidarabine
ME164096
-
C07195
3.1623676
-
Ramipril
Ramipril
ME164116
-
C07232
3.80262
-
Spironolactone
Spironolactone
ME164466
-
C07310
1.7677959
-
Methitural
Methitural
ME163921
-
C07558
1.5883406
-
docusate
2-Methylacetophenone
ME164534
-
C07874
2.1182919
-
Nitrofurazone
Nitrofurazone
ME163867
-
C08042
1.3758582
-
Hexadecanedioic acid
Hexadecanedioic acid
ME163764
-
C08260
1.1530219
-
Methyl N-(a-methylbutyryl)glycine
Azelaic acid
ME163855
-
C08261
1.2627705
-
Isovaleric acid
Isovaleric acid
ME163897
-
C08262
1.498921
-
Chaulmoogric acid
Chaulmoogric acid
ME163636
-
C08282
1.0733137
-
Chaulmoogric acid - 6.7127714
Chaulmoogric acid
ME164320
-
C08282
6.7127714
-
Chaulmoogric acid - 6.811256
Chaulmoogric acid
ME164368
-
C08282
6.811256
-
4-oxo-9Z,11E,13E-octadecatrienoic acid
alpha-Licanic acid
ME163671
-
C08319
1.0974531
-
2-Methoxyestrone 3-sulfate
2-Methoxyestrone 3-sulfate
ME164046
-
C08358
2.1595879
-
trans-9-palmitoleic acid
Palmitelaidic acid
ME163643
-
C08362
1.0773731
-
Petroselinic acid
6-Octadecylenic acid
ME163630
-
C08363
1.0698535
-
Ricinoleic acid
Ricinoleic acid
ME163715
-
C08365
1.11644
-
Vernolic acid
12S,13R-EpOME
ME163707
-
C08368
1.1061225
-
Convicine
Convicine
ME164461
-
C08430
1.5876749
-
Jasmonic acid
Jasmonic acid
ME163819
-
C08491
1.188357
-
Jasmonic acid - 1.1212678
Jasmonic acid
ME164514
-
C08491
1.1212678
-
Indole-3-carboxaldehyde
1H-Indole-3-carboxaldehyde
ME163762
-
C08493
1.14343
-
Tuberonic acid glucoside
Tuberonic acid glucoside
ME164087
-
C08558
2.9704542
-
Asiatic acid
Asiatic acid
ME163845
-
C08617
1.2378591
-
Falaconitine
-
ME164551
-
C08683
6.976751
-
6-O-Methyleuparin
-
ME163874
-
C08762
1.4540424
-
Salannin
Salannin
ME164189
-
C08780
5.7137284
-
Cucurbitacin S
Cucurbitacin S
ME163526
-
C08806
0.84243673
-
Cymarin
Cymarin
ME163657
-
C08859
1.0941874
-
Decoside
Decoside
ME164581
-
C08860
1.0874441
-
Hellebrigenin 3-acetate
Hellebrigenin 3-acetate
ME163702
-
C08867
1.108578
-
lokundjoside
Lokundjoside
ME164559
-
C08874
1.0820272
-
Auricularine
Auricularine
ME163512
-
C09043
0.8304261
-
Callicarpone
Callicarpone
ME163714
-
C09067
1.1490357
-
Carnosol
Carnosol
ME163791
-
C09069
1.1677306
-
Caryoptin
Caryoptin
ME164483
-
C09070
2.8308132
-
Borreverine
Borreverine
ME163510
-
C09082
0.8314288
-
Brucine
Brucine
ME163729
-
C09084
1.116074
-
Ingenol 3,20-dibenzoate
Ingenol 3,20-dibenzoate
ME163950
-
C09113
1.713355
-
Isodomedin - 1.2324258
Isodomedin
ME163833
-
C09115
1.2324258
-
Portulal
3-Methoxy-androsta-3,5-diene-7,17-dione
ME164428
-
C09175
1.1219727
-
Evodiamine
Evodiamine
ME164031
-
C09187
2.1352677
-
Decursinol
Decursinol
ME163983
-
C09259
2.107255
-
Angustibalin
Angustibalin
ME164030
-
C09293
2.1351895
-
Artabsin
Artabsin
ME164519
-
C09301
1.114883
-
Hymenoflorin
Hymenoflorin
ME163734
-
C09480
1.1162913
-
Hymenoxon
Hymenoxon
ME163828
-
C09482
1.1937623
-
Polhovolide
Polhovolide
ME163704
-
C09532
1.1095816
-
Botrydial
Botrydial
ME163765
-
C09622
1.1455373
-
Botrydial - 2.1188974
Botrydial
ME164012
-
C09622
2.1188974
-
Rishitin
Rishitin
ME163773
-
C09715
1.1470741
-
Antirrhinoside
Antirrhinoside
ME164050
-
C09768
2.1605783
-
Naringin
Naringin
ME163589
-
C09789
0.986263
-
Luciduline
Luciduline
ME163955
-
C09872
1.7359345
-
Goniothalenol - 2.1228929
Altholactone
ME164053
-
C09930
2.1228929
-
Norwogonin
Norwogonin
ME163447
-
C10113
0.73201704
-
Anhydroglycinol
Anhydroglycinol
ME163458
-
C10200
0.7416897
-
Cornudentanone
Cornudentanone
ME163837
-
C10320
1.2156321
-
Embelin
Embelin
ME163770
-
C10342
1.1502733
-
Embelin - 2.1210034
Embelin
ME164013
-
C10342
2.1210034
-
5-O-Methylembelin
5-O-Methylembelin
ME163705
-
C10373
1.1114756
-
1'-Acetoxyeugenol acetate
1'-Acetoxyeugenol acetate
ME164282
-
C10427
6.207774
-
Halfordinol
Halfordinol
ME163501
-
C10596
0.80608374
-
Aspidin
Aspidin
ME163740
-
C10672
1.1261556
-
Ginkgolic Acid
Ginkgolic acid
ME163672
-
C10794
1.0937707
-
Tetradecanedioic acid
Tetradecanedioic acid
ME163784
-
C11002
1.1574907
-
Tetradecanedioic acid - 1.2295798
Tetradecanedioic acid
ME163834
-
C11002
1.2295798
-
Fenothiocarb
Fenothiocarb
ME164489
-
C11084
4.235811
-
Methanesulfonic acid
Methanesulfonic acid
ME164028
-
C11145
2.1216273
-
Teniposide
Teniposide
ME163793
-
C11153
1.16396
-
Topotecan
Topotecan
ME163620
-
C11158
1.0662354
-
Lauryl hydrogen sulfate
Dopamine
ME163511
-
C11166
0.83064514
-
Lauryl hydrogen sulfate - 2.119083
Dopamine
ME163995
-
C11166
2.119083
-
S-(2,4-Dinitrophenyl)glutathione
S-(2,4-Dinitrophenyl)glutathione
ME163538
-
C11175
0.8928392
-
N-Acetyl-leu-leu-leu-tyr-amide
NAc-L3Y-amide
ME164358
-
C11296
6.7983794
-
Sulfolithocholylglycine
Sulfoglycolithocholic acid
ME164085
-
C11301
2.9382262
-
Sulfolithocholylglycine - 2.9932208
Sulfoglycolithocholic acid
ME164090
-
C11301
2.9932208
-
Sulfolithocholylglycine - 4.0221667
Sulfoglycolithocholic acid
ME164121
-
C11301
4.0221667
-
Chymostatin
Chymostatin
ME164381
-
C11308
6.8710823
-
Oxolinic Acid
Oxolinicacid
ME164278
-
C11342
6.1931624
-
Oxolinic Acid - 6.190845
Oxolinicacid
ME164546
-
C11342
6.190845
-
(3R)-3-isopropenyl-6-oxoheptanoic acid
-
ME163696
-
C11405
1.1186116
-
Methyl jasmonate
Methyl jasmonate
ME163695
-
C11512
1.1242819
-
8-Epiiridotrial glucoside
8-Epiiridotrial glucoside
ME163886
-
C11652
1.4519207
-
8-Epiiridotrial glucoside - 1.5395757
8-Epiiridotrial glucoside
ME163900
-
C11652
1.5395757
-
Epibatidine
Epibatidine
ME164042
-
C11690
2.155493
-
DCI
-
ME163980
-
C11772
2.1149712
-
5-Hydroxyisourate
5-Hydroxyisouric acid
ME163892
-
C11821
1.4616607
-
5-Oxoavermectin ''2a'' aglycone
Homoserine lactone
ME164196
-
C11970
5.767298
-
Oleandolide
Oleandolide
ME164114
-
C11990
3.764336
-
Nanchangmycin
-
ME164160
-
C12047
4.760864
-
Valnemulin
Valnemulin
ME164582
-
C12066
1.0875113
-
7,4'-Dihydroxyflavone
7,4'-Dihydroxyflavone
ME163759
-
C12123
1.1360292
-
Anhalamine
Anhalamine
ME163612
-
C12231
1.064203
-
3-Amino-4,7-dihydroxy-8-methylcoumarin
3-Amino-4,7-dihydroxy-8-methylcoumarin
ME164010
-
C12466
2.1206062
-
N2-Acetyl-L-aminoadipate
N-Acetyl-2-aminoadipic acid
ME164472
-
C12986
2.1113331
-
Faropenem
Faropenem
ME164081
-
C13310
2.9003725
-
Xanthoxin
-
ME163757
-
C13453
1.1329747
-
Xanthoxic acid
Xanthoxic acid
ME163724
-
C13454
1.1174362
-
Olprinone
Olprinone hydrochloride
ME164066
-
C13546
2.589613
-
IAA-94
-
ME164052
-
C13703
2.1703522
-
Fampridine
4-Aminopyridine
ME163956
-
C13728
1.761673
-
Fampridine - 2.7416701
4-Aminopyridine
ME164071
-
C13728
2.7416701
-
Argiotoxin 659
Argiotoxin 659
ME164294
-
C13929
6.4762487
-
2-oxo capric acid
2-Oxo capric acid
ME163829
-
C13945
1.2034925
-
2-Benzothiazolesulfonamide
-
ME163557
-
C14181
0.913999
-
Compactin diol lactone
ML 236A
ME163792
-
C14183
1.1720889
-
Mibolerone
Mibolerone
ME163635
-
C14255
1.0733768
-
Furfural diethyl acetal
-
ME163932
-
C14280
1.6419237
-
Dinoseb
2-(1-Methylpropyl)-4,6-dinitrophenol
ME163582
-
C14302
0.9667774
-
Demethyltexasin
Demethyltexasin
ME163685
-
C14314
1.1064692
-
Bendiocarb
Bendiocarb
ME164488
-
C14433
4.004199
-
Di-n-decyl phthalate
-
ME163678
-
C14505
1.0997345
-
Diethyl adipate
-
ME163873
-
C14566
1.4122254
-
Diethyl adipate - 1.2166648
-
ME164447
-
C14566
1.2166648
-
Dimethyl adipate
Dimethyl adipate
ME163860
-
C14570
1.317512
-
6alpha-Methylprogesterone
-
ME163626
-
C14586
1.0695748
-
2-Ethylhexyl-4-hydroxybenzoate
Hexyl benzoate
ME163628
-
C14716
1.0684062
-
5-Oxo-ETE
5-Oxo-ETE
ME163661
-
C14732
1.0955794
-
8-HETE
8-HETE
ME163683
-
C14776
1.09902
-
1-Nitro-7-glutathionyl-8-hydroxy-7,8-dihydronaphth...
-
ME164464
-
C14804
1.7098279
-
(±)9,10-DiHOME
9,10-DiHOME
ME163651
-
C14828
1.085375
-
9S,12S,13S-trihydroxy-10E-octadecenoic acid - 1.33...
9,12,13-TriHOME
ME163862
-
C14833
1.3309315
-
3-Methoxy-androsta-3,5-diene-7,17-dione
3-Methoxy-androsta-3,5-diene-7,17-dione
ME164429
-
C14930
1.1249509
-
HR1917
-
ME163689
-
C15343
1.1037077
-
5alpha-Androstan-17beta-ol propionate
-
ME163615
-
C15373
1.0651481
-
17-Methyl-5alpha-androstane-11beta,17beta-diol
17-Methyl-5alpha-androstane-11beta,17beta-diol
ME163621
-
C15399
1.068426
-
17beta-Hydroxy-4,4,17-trimethylandrost-5-en-3-one
17beta-Hydroxy-4,4,17-trimethylandrost-5-en-3-one
ME163619
-
C15413
1.0677586
-
N,N-Dihydroxy-L-tyrosine
N,N-Dihydroxy-tyrosine
ME164245
-
C15503
5.953198
-
Taurohyocholic acid
Taurohyocholic acid
ME164118
-
C15516
3.9026082
-
Taurohyocholic acid - 4.0034986
Taurohyocholic acid
ME164120
-
C15516
4.0034986
-
Taurohyocholic acid - 4.322024
Taurohyocholic acid
ME164132
-
C15516
4.322024
-
Taurohyocholic acid - 4.592833
Taurohyocholic acid
ME164137
-
C15516
4.592833
-
Taurohyocholic acid - 4.759052
Taurohyocholic acid
ME164157
-
C15516
4.759052
-
GW 409544
-
ME164583
-
C15623
1.4643068
-
Angiotensin III
Angiotensin III
ME163604
-
C15848
1.0369911
-
Anhydrorhodovibrin
Anhydrorhodovibrin
ME164417
-
C15877
1.0995163
-
dihydrophaseic acid
Dihydrophaseic acid
ME164470
-
C15971
1.9342897
-
5-Sulfosalicylic acid
5-Sulfosalicylic acid
ME163537
-
C16199
0.86550575
-
5-Sulfosalicylic acid - 0.97004646
5-Sulfosalicylic acid
ME163585
-
C16199
0.97004646
-
5-Sulfosalicylic acid - 1.5343589
5-Sulfosalicylic acid
ME163899
-
C16199
1.5343589
-
1-Naphthalenesulfonic acid
Naphthalene-1-sulfonic acid
ME164558
-
C16201
1.063885
-
9-oxo-nonanoic acid
9-Oxo-nonanoic acid
ME163785
-
C16322
1.1583015
-
2(R)-HPOT
2R-HpOTrE
ME163686
-
C16341
1.1040595
-
5-Acetylamino-6-formylamino-3-methyluracil
5-Acetylamino-6-formylamino-3-methyluracil
ME164084
-
C16365
2.9027047
-
Valine
Valine
ME164290
-
C16436
6.334648
-
2,22,25-trideoxyecdysone
2,22,25-Trideoxyecdysone
ME163680
-
C16493
1.100697
-
(10S)-Juvenile hormone III diol
-
ME163778
-
C16505
1.1572257
-
(10S)-Juvenile hormone III diol - 1.1661133
-
ME164578
-
C16505
1.1661133
-
11(Z),14(Z)-Eicosadienoic Acid
11Z,14Z-Eicosadienoic acid
ME163618
-
C16525
1.0672239
-
2-Hydroxyfelbamate
2-Hydroxyfelbamate
ME163506
-
C16582
0.8285713
-
Penicilloic G acid
-
ME164275
-
C16672
6.1911063
-
Nigakilactone B
-
ME163804
-
C17013
1.1701047
-
Nemertelline
-
ME164496
-
C17016
5.9758925
-
2-Oxo-7-methylthioheptanoic acid
2-Oxo-7-methylthioheptanoic acid
ME164037
-
C17220
2.1542516
-
2-Oxo-7-methylthioheptanoic acid - 2.1569676
2-Oxo-7-methylthioheptanoic acid
ME164476
-
C17220
2.1569676
-
2-(7'-Methylthio)heptylmalic acid
-
ME164529
-
C17230
1.5166653
-
Nocardicin D
-
ME164076
-
C17353
2.8144095
-
Sugetriol
-
ME163781
-
C17502
1.1680126
-
Kikkanol D
-
ME164442
-
C17606
1.163185
-
Rhizocticin A
Rhizocticin A
ME164588
-
C17944
0.83456796
-
Minosaminomycin
-
ME164477
-
C17969
2.2099528
-
Formimidoyl-fortimicin A
-
ME163748
-
C17979
1.1272665
-
Istamycin A3
-
ME163780
-
C17989
1.1572971
-
cholesterol sulfate
Cholesterol sulfate
ME163513
-
C18043
0.831861
-
Perfluorooctanesulfonic acid
Perfluorooctanesulfonic acid
ME163440
-
C18142
0.71050334
-
16-hydroxy hexadecanoic acid
Juniperic acid
ME164434
-
C18218
1.1409479
-
10-Oxabenzo[def]chrysen-9-one
-
ME164479
-
C18281
2.2907298
-
10-Oxabenzo[def]chrysen-9-one - 1.5784571
-
ME164584
-
C18281
1.5784571
-
Daimuron
-
ME164567
-
C18427
1.5967797
-
Benfuresate
-
ME164256
-
C18452
5.9805064
-
Ferimzone
Ferimzone
ME163800
-
C18579
1.1578294
-
Forchlorfenuron
-
ME164277
-
C18604
6.196276
-
L-Homotyrosine
Homotyrosine
ME163622
-
C18622
1.0673876
-
Pyridafenthion
Pyridaphenthion
ME164233
-
C18762
5.844303
-
Alloxydim
-
ME163774
-
C18772
1.1541116
-
Ethyl 3-(N-butylacetamido)propionate
-
ME163872
-
C18830
1.4071358
-
Furmecyclox
Furmecyclox
ME163609
-
C18912
1.055813
-
Drazoxolon
-
ME163881
-
C18929
1.4296914
-
Metsulfovax
-
ME164363
-
C18934
6.8064804
-
Fusarin C
-
ME164416
-
C19243
1.078372
-
6-Nitrochrysene
-
ME163994
-
C19271
2.1179392
-
4,4'-Thiodianiline
-
ME164259
-
C19303
6.1085773
-
4,4'-Thiodianiline - 6.182754
-
ME164262
-
C19303
6.182754
-
1,5-Naphthalene diisocyanate
-
ME163541
-
C19464
0.8817621
-
Ripazepam
-
ME164441
-
C19518
1.1738787
-
Scarlet Red
-
ME163641
-
C19520
1.0748825
-
Succinic anhydride
Succinic anhydride
ME164197
-
C19524
5.814591
-
Succinic anhydride - 5.8640885
Succinic anhydride
ME164586
-
C19524
5.8640885
-
Yellow AB
-
ME164594
-
C19552
0.74829733
-
16-Oxo-palmitate
-
ME164435
-
C19614
1.1453323
-
9,10-dihydroxy stearic acid
9,10-Dihydroxystearic acid
ME163799
-
C19622
1.1673945
-
Docosanedioic acid
Docosanedioic acid
ME164425
-
C19625
1.1126282
-
Debromohymenialdisine
-
ME163988
-
C19897
2.1098592
-
Gymnodimine
Gymnodimine
ME164313
-
C20025
6.674411
-
Gymnodimine - 6.775499
Gymnodimine
ME164350
-
C20025
6.775499
-
11-Deoxytetrodotoxin
-
ME164406
-
C20026
9.131393
-
Aminopterin
4-Aminofolic acid
ME163647
-
D02527
1.081098
-
Tetradecyl sulfate
-
ME163502
-
D06882
0.8230049
-
1,11-Undecanedicarboxylic acid
Tridecanedioic acid
ME163801
-
-
1.1688803
-
1?,25-dihydroxy-11?-[(1R)-oxiranyl]vitamin D3 / 1?...
-
ME163826
-
-
1.2036616
-
1?,25-dihydroxy-16,17-didehydrovitamin D3 / 1?,25-...
-
ME164422
-
-
1.1204358
-
12-tridecynoic acid
12-Tridecynoic acid
ME164444
-
-
1.1482933
-
13,14-dihydro-15-keto Prostaglandin J2
-
ME163737
-
-
1.1432635
-
(±)14-HDoHE
14-HDoHE
ME163679
-
-
1.1001076
-
14-keto pentadecanoic acid
14-Oxopentadecanoic acid
ME163721
-
-
1.1255863
-
16(S)-HETE
-
ME163711
-
-
1.1127337
-
?17-6-keto PGF1?
-
ME163812
-
-
1.1784481
-
18-acetoxy-1?,25-dihydroxyvitamin D3 / 18-acetoxy-...
-
ME163843
-
-
1.2386568
-
18-hydroxy-9S,10R-epoxy-stearic acid
18-Hydroxy-9S,10R-epoxy-stearic acid
ME163779
-
-
1.1551886
-
1-Cyclohexene-1-acrylic acid, 2,6,6-trimethyl-3-ox...
-
ME164521
-
-
1.157571
-
(1S,2S)-3-oxo-2-pentyl-cyclopentanehexanoic acid
-
ME163676
-
-
1.1036218
-
2,2-Dimethylglutaric acid
2,2-Dimethylglutaric acid
ME164452
-
-
1.3846548
-
2,3-dinor Thromboxane B1
2,3-Dinor-TXB1
ME164448
-
-
1.1924704
-
2,4,6-octatrienal
2,4,6-Octatrienal
ME163549
-
-
0.8851814
-
2,4,6-octatrienal - 1.1827954
2,4,6-Octatrienal
ME163816
-
-
1.1827954
-
2,4-dimethyl-tetradecanoic acid
2,4-Dimethyl-tetradecanoic acid
ME164023
-
-
2.1204457
-
26,27-diethyl-1?,25-dihydroxy-23-oxavitamin D3 / 2...
-
ME163673
-
-
1.0977546
-
27-nor-5b-cholestane-3a,7a,12a,24,25-pentol
27-Nor-5beta-cholestane-3alpha,7alpha,12alpha,24,25-pentol
ME163692
-
-
1.1077397
-
2-Amino-3-hydroxy-5-nitrobenzophenone
-
ME164069
-
-
2.6576576
-
2E-Eicosenoic acid
-
ME163616
-
-
1.0661881
-
2-Hydroxycaproic acid
2-Hydroxyhexanoic acid
ME164009
-
-
2.1207018
-
2-Hydroxymyristic Acid
2-Hydroxymyristic acid
ME163802
-
-
1.1699609
-
2-methyl-3-hydroxybutyric acid
2-Methyl-3-hydroxybutyric acid
ME163898
-
-
1.5347873
-
2-Methylbutyrylglycine
2-Methylbutyrylglycine
ME163977
-
-
1.9425317
-
2-Methylbutyrylglycine - 3.444688
2-Methylbutyrylglycine
ME164102
-
-
3.444688
-
2-Naphthaleneacetic acid, 6-(sulfooxy)-
-
ME164000
-
-
2.1168876
-
3?,11?-Dihydroxy-12-oxo-5?-cholan-24-oic Acid
-
ME164457
-
-
1.4701248
-
3?,11?-Dihydroxy-12-oxo-5?-cholan-24-oic Acid - 1....
-
ME164525
-
-
1.2354674
-
3,4,2',4',6',beta-Hexahydroxychalcone 2'-glucoside
-
ME163795
-
-
1.1641788
-
3,4-Dihydroxybenzylamine
3,4-Dihydroxybenzylamine
ME163859
-
-
1.3006434
-
3',4'-dihydroxyflurbiprofen
-
ME164055
-
-
2.2118914
-
3,4-Dihydroxyphenylglycol O-sulfate
3,4-Dihydroxyphenylglycol O-sulfate
ME163485
-
-
0.7961429
-
3?,5?-Dihydroxycholan-24-oic Acid
-
ME163782
-
-
1.0939356
-
3?,7?,12?-Trihydroxy-24-methyl-5?-cholest-23-en-26...
-
ME164563
-
-
1.1173339
-
3alpha,12alpha,25-trihydroxy-5beta-cholestan-7-one
3alpha,12alpha,25-Trihydroxy-5beta-cholestan-7-one
ME163682
-
-
1.1040123
-
3alpha,7alpha,12beta-Trihydroxy-5beta-cholan-24-oi...
-
ME163893
-
-
1.4828986
-
3alpha,7alpha,12beta-Trihydroxy-5beta-cholan-24-oi...
-
ME163941
-
-
1.6919683
-
3-(a-Naphthoxy)lactic acid
-
ME164008
-
-
2.1195114
-
3-butyrl propionic acid
3-Butyrl propionic acid
ME163813
-
-
1.1772108
-
(3-Methoxy-4-hydroxyphenyl)ethylene glycol sulfate
3-Methoxy-4-hydroxyphenylethyleneglycol sulfate
ME163496
-
-
0.83569986
-
3-Oxoalanine
3-Oxoalanine
ME164287
-
-
6.219868
-
3-Oxohexanoyl-coenzyme A
3-Oxohexanoyl-CoA
ME164575
-
-
1.0154475
-
3-oxo-tetradecanoic acid
3-Oxotetradecanoic acid
ME163809
-
-
1.1754184
-
4,14-Dimethyl-hexadecanoic acid
4,14-Dimethyl-hexadecanoic acid
ME164020
-
-
2.120367
-
4,7,10,13-Hexadecatetraenoic acid
4,7,10,13-Hexadecatetraenoic acid
ME164418
-
-
1.0858262
-
4E-Decenedioic acid
4E-Decenedioic acid
ME164443
-
-
1.1636633
-
4-hydroxy capric acid
4-Hydroxycapric acid
ME164526
-
-
1.2467096
-
4-Octenedioic acid
-
ME164528
-
-
1.3646888
-
5,6-Dihydrouridine
5,6-Dihydrouridine
ME163958
-
-
1.8466145
-
5,7,4'-Trihydroxyflavanone 7-sulfate
5,7,4'-Trihydroxyflavanone 7-sulfate
ME163453
-
-
0.7316172
-
5,7-nonadienal
5,7-Nonadienal
ME164562
-
-
1.1240278
-
5?-Chola-7,9(11)-dien-24-oic Acid
-
ME163614
-
-
1.0651765
-
5-Cholestene-3?,7?,12?,24-tetrol
-
ME163662
-
-
1.103758
-
5-tert-Butyl-4-hydroxymethylfuran-2-carboxylic aci...
-
ME163864
-
-
1.3189714
-
6-keto-n-caprylic acid
6-Ketooctanoic acid
ME163806
-
-
1.1644487
-
7?,12?-Dihydroxy-5?-cholan-24-oic Acid
-
ME163849
-
-
1.2110813
-
7-Decynoic acid, 5-oxo-
5-Oxo-7-Decynoic acid
ME164520
-
-
1.1460311
-
7-Hydroxydoxazosin
-
ME164400
-
-
7.305836
-
7-keto-stearic acid
7-Keto-stearic acid
ME164569
-
-
2.1188977
-
8-Hydroxy-3,5,7,3',4',5'-hexamethoxyflavone
8-Hydroxy-3,5,7,3',4',5'-hexamethoxyflavone
ME164130
-
-
4.2811756
-
8(S)-HETrE
8S-HETrE
ME164437
-
-
1.1098403
-
9-dodecynoic acid
9-Dodecynoic acid
ME163539
-
-
0.87675464
-
9-hydroperoxy-12,13-epoxy-10-octadecenoic acid
9-Hydroperoxy-12,13-epoxy-10-octadecenoic acid
ME163814
-
-
1.1466906
-
9-hydroperoxy-12,13-epoxy-10-octadecenoic acid - 1...
9-Hydroperoxy-12,13-epoxy-10-octadecenoic acid
ME163847
-
-
1.2004614
-
9S,10S,11R-trihydroxy-12Z-octadecenoic acid
9S,10S,11R-Trihydroxy-12Z-octadecenoic acid
ME163848
-
-
1.2519901
-
(9S,13S)-1a,1b-dihomo-jasmonic acid
-
ME164576
-
-
1.0870699
-
9S-hydroxy-12R,13S-epoxy-10E,15Z-octadecadienoic a...
9H-12(13)-EpODE
ME163768
-
-
1.1565818
-
9Z,11E,13-Tetradecatrienal
9Z,11E,13-Tetradecatrienal
ME163758
-
-
1.1314459
-
Abu-His-OH
-
ME163928
-
-
1.6212337
-
AG-18
-
ME164070
-
-
2.7107995
-
alhpa-tocopheronolactone
Alhpa-tocopheronolactone
ME163738
-
-
1.1186355
-
Arg Pro Thr
Arg-Pro-Thr
ME164106
-
-
3.5339143
-
beta-hydroxylauric acid
-
ME163820
-
-
1.1912678
-
Bumetanide M1
-
ME163645
-
-
1.0919282
-
Butein 4'-arabinosyl-(1-4)-galactoside
-
ME163590
-
-
0.9921207
-
Capryloylglycine
Capryloylglycine
ME163888
-
-
1.4562584
-
Capryloylglycine - 2.4119985
Capryloylglycine
ME164535
-
-
2.4119985
-
Carboxyprimaquine
Carboxyprimaquine
ME163841
-
-
1.3665445
-
Carboxyprimaquine - 2.2894254
Carboxyprimaquine
ME164478
-
-
2.2894254
-
Clobetasol propionate
Clobetasol propionate
ME163743
-
-
1.1260794
-
Coenzyme Q4
Coenzyme Q4
ME164591
-
-
1.1689627
-
deschlorobenzoyl Indomethacin
-
ME164139
-
-
4.615958
-
desmethylnortriptyline glucuronide
-
ME164509
-
-
0.9662047
-
DG(15:0/18:4(6Z,9Z,12Z,15Z)/0:0)
DG 15:0/18:4(6Z,9Z,12Z,15Z)/0:0*
ME163668
-
-
1.0917486
-
DG(15:0/22:4(7Z,10Z,13Z,16Z)/0:0)
DG 15:0/22:4(7Z,10Z,13Z,16Z)/0:0*
ME163755
-
-
1.1307318
-
DG(15:0/22:5(7Z,10Z,13Z,16Z,19Z)/0:0)
DG 15:0/22:5(7Z,10Z,13Z,16Z,19Z)/0:0*
ME163772
-
-
1.1532649
-
DG(20:2(11Z,14Z)/20:4(8Z,11Z,14Z,17Z)/0:0)
DG 20:2(11Z,14Z)/20:4(8Z,11Z,14Z,17Z)/0:0*
ME164426
-
-
1.1219213
-
DG(22:1(13Z)/20:5(5Z,8Z,11Z,14Z,17Z)/0:0)
DG 22:1(13Z)/20:5(5Z,8Z,11Z,14Z,17Z)/0:0*
ME163723
-
-
1.1158994
-
DG(22:4(7Z,10Z,13Z,16Z)/22:2(13Z,16Z)/0:0)
DG 22:4(7Z,10Z,13Z,16Z)/22:2(13Z,16Z)/0:0*
ME163697
-
-
1.1074431
-
DG(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:2(13Z,16Z)/0:0)
DG 22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:2(13Z,16Z)/0:0*
ME163712
-
-
1.111895
-
DG(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/24:0/0:0)
DG 22:6(4Z,7Z,10Z,13Z,16Z,19Z)/24:0/0:0*
ME164424
-
-
1.102297
-
Dihydrojasmonic Acid, Methyl Ester
-
ME163713
-
-
1.1157472
-
Dihydrojasmonic Acid, Methyl Ester - 1.2360836
-
ME163850
-
-
1.2360836
-
DL-2-Aminoadipic acid
alpha-Aminoadipic acid
ME164542
-
-
5.8714004
-
DL-3-hydroxy caproic acid
3-Hydroxycaproic acid
ME164491
-
-
5.4513288
-
DL-9-hydroxy stearic acid
9-Hydroxy stearic acid
ME163787
-
-
1.1617153
-
doxylamine
Doxylamine
ME163580
-
-
0.9955655
-
epi-4'-hydroxyjasmonic acid
Epi-4'-hydroxyjasmonic acid
ME163766
-
-
1.1631896
-
Epicatechin 5-O-beta-D-glucopyranoside-3-benzoate
Epicatechin 5-O-beta-D-glucoside-3-benzoate
ME164074
-
-
2.8302107
-
Etioporphyrin III
-
ME163514
-
-
0.8326201
-
Gal?1-3[Neu5Ac?2,6]GalNAc?-Thr
-
ME164502
-
-
6.6139793
-
Glu Ser
Glu-Ser
ME164094
-
-
3.1554823
-
His His Glu
His-His-Glu
ME164092
-
-
3.0020556
-
His-Phe-OH
-
ME164571
-
-
2.1580293
-
Homocysteinesulfinic acid
Homocysteinesulfinic acid
ME164104
-
-
3.4792216
-
Homoveratric acid
Homoveratric acid
ME163818
-
-
1.1758742
-
?-Hydroxyisovaleric acid
Hydroxyisovaleric acid
ME164570
-
-
2.1252458
-
Icaritin 3-rhamnoside
Icaritin 3-rhamnoside
ME164456
-
-
1.4621562
-
Ile Arg Ile
Ile-Arg-Ile
ME163720
-
-
1.1145331
-
Isovalerylsarcosine
Isovalerylsarcosine
ME164098
-
-
3.2197332
-
Lesquerolic acid
Lesquerolic acid
ME164512
-
-
1.1050663
-
L-Glutamic acid n-butyl ester
-
ME164103
-
-
3.4723406
-
LysoPE(0:0/18:0)
LPE 0:0/18:0
ME164186
-
-
5.663514
-
LysoPE(0:0/18:0) - 6.735483
LPE 0:0/18:0
ME164331
-
-
6.735483
-
LysoPE(0:0/18:0) - 6.834247
LPE 0:0/18:0
ME164372
-
-
6.834247
-
LysoPE(0:0/18:1(11Z))
LPE 0:0/18:1(11Z)
ME164188
-
-
5.6772294
-
LysoPE(0:0/18:2(9Z,12Z))
LPE 0:0/18:2(9Z,12Z)*
ME164190
-
-
5.705796
-
LysoPE(0:0/20:0)
LPE 0:0/20:0
ME164346
-
-
6.760607
-
LysoPE(0:0/20:2(11Z,14Z))
LPE 0:0/20:2(11Z,14Z)*
ME164325
-
-
6.7130117
-
MG(24:6(6Z,9Z,12Z,15Z,18Z,21Z)/0:0/0:0)
MG 24:6(6Z,9Z,12Z,15Z,18Z,21Z)/0:0/0:0*
ME163823
-
-
1.1997329
-
MID42332:(22R)-1?,22,25-trihydroxy-26,27-dimethyl-...
-
ME163825
-
-
1.2011917
-
MID42391:26,27-diethyl-1?,25-dihydroxy-20,21-dideh...
-
ME164440
-
-
1.1735598
-
N-acetyl-2-carboxy Benzenesulfonamide
-
ME163482
-
-
0.7931195
-
N-Acetyl-DL-methionine
N-Acetylmethionine
ME164119
-
-
3.916011
-
N-Acetyl-L-phenylalanine
N-Acetylphenylalanine
ME164107
-
-
3.5382733
-
Nicotinamide N-oxide
Nicotinamide N-oxide
ME163957
-
-
1.76117
-
N-linoleoyl taurine
N-Linoleoyl taurine
ME163871
-
-
1.3992633
-
N-octanoyl-L-Homoserine lactone
-
ME164056
-
-
2.2647219
-
NVP-BEZ235
-
ME164415
-
-
1.0749508
-
PA(20:2(11Z,14Z)/0:0)
PA 20:2(11Z,14Z)/0:0*
ME163963
-
-
1.8813349
-
PD 169316
-
ME164511
-
-
1.082761
-
PE(16:0/0:0)
LPE 16:0/0:0
ME164193
-
-
5.7233253
-
PE(O-20:0/22:0)
PE O-20:0/22:0
ME164241
-
-
5.9208236
-
PE(P-18:1(11Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))
PE P-18:1(11Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)*
ME164585
-
-
4.838579
-
PGE3 1,15-lactone
PGE3 1,15-lactone
ME164451
-
-
1.2388207
-
Phe Lys His
Phe-Lys-His
ME164421
-
-
1.0886667
-
PI(18:1(9Z)/18:2(9Z,12Z))
PI 18:1(9Z)/18:2(9Z,12Z)*
ME164152
-
-
4.7113395
-
PI(18:1(9Z)/20:5(5Z,8Z,11Z,14Z,17Z))
PI 18:1(9Z)/20:5(5Z,8Z,11Z,14Z,17Z)*
ME164142
-
-
4.631914
-
PI(20:5(5Z,8Z,11Z,14Z,17Z)/22:6(4Z,7Z,10Z,13Z,16Z,...
PI 20:5(5Z,8Z,11Z,14Z,17Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)*
ME164556
-
-
1.0343332
-
Prostaglandin D1 Alcohol
-
ME164517
-
-
1.1545147
-
PS(12:0/22:0)
PS 12:0/22:0*
ME164458
-
-
1.520983
-
PS(18:0/20:2(11Z,14Z))
PS 18:0/20:2(11Z,14Z)*
ME164543
-
-
5.9332275
-
PS(18:1(9Z)/16:1(9Z))
PS 18:1(9Z)/16:1(9Z)*
ME164468
-
-
1.8543673
-
PS(19:0/0:0)
LPS 19:0/0:0
ME164380
-
-
6.8642173
-
PS(19:0/16:0)
PS 19:0/16:0*
ME164182
-
-
5.592865
-
PS(19:0/16:1(9Z))
PS 19:0/16:1(9Z)*
ME164171
-
-
5.4554877
-
PS(21:0/20:4(5Z,8Z,11Z,14Z))
PS 21:0/20:4(5Z,8Z,11Z,14Z)*
ME164170
-
-
5.4540076
-
Sinulobatin A
Sinulobatin A
ME163665
-
-
1.0921416
-
Tetrahydroneopterin
-
ME164266
-
-
6.1839027
-
Thr-Asp-OH
-
ME164204
-
-
5.822926
-
Thr Gly Thr
Thr-Gly-Thr
ME164095
-
-
3.1588783
-
Totarol-19-Carboxylic Acid
-
ME163667
-
-
1.1123343
-
Tricetin 7,3'-diglucuronide
Tricetin 7,3'-diglucuronide
ME163601
-
-
1.0315224
-
Tropicamide
Tropicamide
ME164474
-
-
2.1231537
-
Trp Thr Tyr
Trp-Thr-Tyr
ME164475
-
-
2.1459084
-
Analysis: Reversed phase POSITIVE ION MODE
Select
Metabolite Name
RefMet Name/Standardized Name*
WorkBenchMetabolite_ID
PubChemCompound_ID
Kegg Id
Retentiontime/index
m/z ratio
L-Tryptophan
Tryptophan
ME164741
-
C00078
3.9088888
-
Urea
Urea
ME164615
-
C00086
0.9478241
-
L-Leucine
Leucine
ME164657
-
C00123
1.7926453
-
Acetoacetic acid
Acetoacetic acid
ME164617
-
C00164
0.96769637
-
Phenylpyruvic acid
Phenylpyruvic acid
ME164653
-
C00166
1.5971736
-
L-Valine
Valine
ME164614
-
C00183
0.93732774
-
L-Valine + 1.2355758
Valine
ME164638
-
C00183
1.2355758
-
Taurine
Taurine
ME164607
-
C00245
0.89985734
-
Niacin (Nicotinic acid)
Nicotinic acid
ME164632
-
C00253
1.097304
-
Benzaldehyde
Benzaldehyde
ME164663
-
C00261
3.3674893
-
Indoleacrylic acid
Indoleacrylic acid
ME164668
-
C00331
3.9084373
-
Uric acid
Uric acid
ME164641
-
C00366
1.312818
-
L-Isoleucine
Isoleucine
ME164731
-
C00407
1.932036
-
DL-pipecolic acid
Pipecolic acid
ME164600
-
C00408
0.83639187
-
L-Pipecolic acid
Pipecolic acid
ME164629
-
C00408
1.055295
-
Pantoic acid
(R)-Pantoic acid
ME164735
-
C00522
4.2516723
-
p-Aminobenzoic acid
p-Aminobenzoic acid
ME164739
-
C00568
0.99348116
-
Creatinine
Creatinine
ME164623
-
C00791
1.0088667
-
Alanine
Alanine
ME164620
-
C01401
0.98917526
-
Caproic acid
Caproic acid
ME164650
-
C01585
1.331534
-
4-Oxoproline
4-Oxo-proline
ME164644
-
C01877
1.3279362
-
Corticosterone
Corticosterone
ME164686
-
C02140
8.021635
-
1,4-Naphthoquinone
Naphthoquinone
ME164659
-
C02617
1.9779603
-
4-Hydroxy-2-butynal
4-Hydroxybut-2-ynal
ME164610
-
C02648
0.9157354
-
Acetone cyanohydrin
2-Hydroxy-2-methylpropanenitrile
ME164740
-
C02659
1.3337828
-
2-Methyleneglutarate
-
ME164646
-
C02930
1.3262916
-
ADMA
Dimethylarginine
ME164631
-
C03626
1.0736225
-
N(alpha)-t-Butoxycarbonyl-L-leucine
-
ME164667
-
C04301
3.8533192
-
N(alpha)-t-Butoxycarbonyl-L-leucine + 3.9469597
-
ME164669
-
C04301
3.9469597
-
N4-Acetylaminobutanal
N4-Acetylaminobutanal
ME164639
-
C05936
1.3036062
-
Piperideine
Piperideine
ME164599
-
C06181
0.8367317
-
Piperideine + 1.3051474
Piperideine
ME164640
-
C06181
1.3051474
-
Fexofenadine
Fexofenadine
ME164714
-
C06999
11.028918
-
Methdilazine
Methdilazine
ME164666
-
C07175
3.5842211
-
1,5-Anhydrosorbitol
1,5-Anhydrosorbitol
ME164625
-
C07326
1.0283113
-
Buprenorphine
Buprenorphine
ME164697
-
C08007
10.409461
-
Isowillardiine
Isowillardiine
ME164618
-
C08289
0.9697428
-
N-Methyl-2-pyrrolidinone
2-Pyrrolidinone
ME164733
-
C11118
3.538678
-
Amitrole
Amitrole
ME164601
-
C11261
0.8528662
-
Avizafone
Avizafone
ME164737
-
C11725
10.521523
-
CB3717
10-Propargyl-5,8-dideazafolic acid
ME164685
-
C11737
8.012016
-
Oxindole
Indolin-2-one
ME164671
-
C12312
4.357333
-
Tranexamic acid
Tranexamic acid
ME164642
-
C12535
1.3197683
-
(S)-ATPA
(S)-ATPA
ME164634
-
C13733
1.1289841
-
Prometon
Prometon
ME164656
-
C14186
1.5912669
-
Prometon + 1.7550333
Prometon
ME164658
-
C14186
1.7550333
-
2,2-Dimethyl-3,4-bis(4-methoxyphenyl)-2H-1-benzopy...
-
ME164693
-
C15027
10.106113
-
Estra-1,3,5(10)-triene-3,6alpha,17beta-triol triac...
-
ME164692
-
C15382
9.476321
-
Estra-1,3,5(10)-triene-3,6alpha,17beta-triol triac...
-
ME164704
-
C15382
10.542064
-
Traumatic Acid
Traumatic acid
ME164675
-
C16308
4.7458344
-
alpha-Hydroxytamoxifen
alpha-Hydroxytamoxifen
ME164688
-
C16544
8.097681
-
2-(6'-Methylthio)hexylmalic acid
-
ME164635
-
C17226
1.1439302
-
2(5H)-Furanone
4-Hydroxy-2-butenoic acid gamma-lactone
ME164647
-
C17601
1.326162
-
Nitrapyrin
-
ME164677
-
C18751
5.145276
-
Naphthalic anhydride
-
ME164606
-
C19125
0.90065885
-
Oxyquinoline
Quinolin-8-ol
ME164681
-
C19434
6.1905494
-
Sarcoaldesterol A
-
ME164748
-
C19656
8.010402
-
Gymnodimine
Gymnodimine
ME164718
-
C20025
11.296145
-
(-)-11-hydroxy-9,10-dihydrojasmonic acid
11-Hydroxy-9,10-dihydrojasmonic acid
ME164672
-
-
4.6477866
-
1,2-Dioctanoyl-sn-glycerol
-
ME164724
-
-
13.463746
-
13,14-dihydro Prostaglandin F1?
-
ME164706
-
-
10.526692
-
18-hydroxy-9S,10R-epoxy-stearic acid
18-Hydroxy-9S,10R-epoxy-stearic acid
ME164699
-
-
10.447966
-
1-Aminocyclohexanecarboxylic acid
1-Azaniumylcyclohexane-1-carboxylate
ME164630
-
-
1.0611482
-
1-Ethyl-1,3-dimethyl-cyclohexane skeleton
-
ME164683
-
-
7.1010733
-
2,3-bis (4-Hydroxyphenyl) Propionitrile
2,3-bis(4-Hydroxyphenyl)propionitrile
ME164665
-
-
3.4485347
-
2-Amino-3-methyl-1-butanol
-
ME164612
-
-
0.93268967
-
2-Amino-3-methyl-1-butanol + 10.466517
-
ME164701
-
-
10.466517
-
2-Aminopropanol
2-Aminopropanol
ME164619
-
-
0.98570514
-
3,6-dioxo-decanoic acid
3,6-Dioxo-decanoic acid
ME164660
-
-
3.0615351
-
3-ketosphingosine
3-Ketosphingosine
ME164723
-
-
13.001573
-
4-heptynoic acid
4-Heptynoic acid
ME164643
-
-
1.3236178
-
6-Methoxyquinoline
6-Methoxyquinoline
ME164661
-
-
3.1908777
-
7(Z),11(Z)-Heptacosadiene
7Z,11Z-Heptacosadiene
ME164750
-
-
5.0781894
-
9,13-dihydroxy-10-ethoxy-11-octadecenoic acid
9,13-Dihydroxy-10-ethoxy-11-octadecenoic acid
ME164698
-
-
10.442167
-
9,13-dihydroxy-10-ethoxy-11-octadecenoic acid + 10...
9,13-Dihydroxy-10-ethoxy-11-octadecenoic acid
ME164742
-
-
10.442588
-
9,13-dihydroxy-10-ethoxy-11-octadecenoic acid + 10...
9,13-Dihydroxy-10-ethoxy-11-octadecenoic acid
ME164707
-
-
10.527603
-
Barbital
5,5-Diethylbarbituric acid
ME164654
-
-
1.5800242
-
C12
CAR 12:0
ME164749
-
-
0.7959821
-
endo-1-methyl-N-(9-methyl-9-azabicyclo[3.3.1]non-3...
-
ME164682
-
-
6.572036
-
Heptanoic acid, 2-amino-, (R)-; (R)-2-Aminoheptano...
-
ME164628
-
-
1.04263
-
Hydroxyibuprofen
Hydroxyibuprofen
ME164690
-
-
8.850112
-
Ile Pro
Ile-Pro
ME164747
-
-
1.3288687
-
L-alpha-glutamyl-L-hydroxyproline
-
ME164689
-
-
8.386641
-
L-Glutamic acid dibutyl ester
-
ME164736
-
-
5.744078
-
L-Glutamic acid n-butyl ester
-
ME164648
-
-
1.3262129
-
L-Glutamic acid n-butyl ester + 1.51668
-
ME164651
-
-
1.51668
-
Lys Lys Lys
Lys-Lys-Lys
ME164700
-
-
10.46364
-
Lys Lys Lys + 10.543157
Lys-Lys-Lys
ME164708
-
-
10.543157
-
LysoPE(0:0/18:2(9Z,12Z))
LPE 0:0/18:2(9Z,12Z)*
ME164715
-
-
11.047896
-
LysoPE(0:0/22:0)
LPE 0:0/22:0
ME164722
-
-
12.834578
-
MS-275
-
ME164751
-
-
5.0790086
-
N-n-Hexanoylglycine methyl ester
-
ME164627
-
-
1.0380604
-
PE(18:0/0:0)
LPE 18:0/0:0
ME164713
-
-
11.020047
-
PE(19:1(9Z)/0:0)
PE 19:1(9Z)/0:0
ME164703
-
-
10.510197
-
PE(19:1(9Z)/0:0) + 10.729481
PE 19:1(9Z)/0:0
ME164709
-
-
10.729481
-
PE(19:1(9Z)/0:0) + 10.803823
PE 19:1(9Z)/0:0
ME164710
-
-
10.803823
-
Phe His Phe
Phe-His-Phe
ME164673
-
-
4.6606
-
Phenacylamine
-
ME164652
-
-
1.5968683
-
Prostaglandin D1 Alcohol
-
ME164705
-
-
10.530775
-
Rebaudioside C
-
ME164687
-
-
8.096962
-
(+)-Tephrorin A
Tephrorin A
ME164684
-
-
8.011135
-
Tetrahydrofuran
Tetrahydrofuran
ME164670
-
-
4.1956863
-
Thr Ser Ser
Thr-Ser-Ser
ME164624
-
-
1.0145044
-
Trp Tyr Tyr
Trp-Tyr-Tyr
ME164745
-
-
5.0374207
-
Tubastatin A
-
ME164732
-
-
3.1900206
-
Tyr Thr Gln
Tyr-Thr-Gln
ME164676
-
-
5.035639
-
Val Gly
Val-Gly
ME164730
-
-
1.0840595
-
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