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Return to study ST000046 main page
Analysis: MS positive ion mode/C18
Select
Metabolite Name
RefMet Name/Standardized Name*
WorkBenchMetabolite_ID
PubChemCompound_ID
Kegg Id
Retentiontime/index
m/z ratio
Acetoaceticacid
Acetoacetic acid
ME648507
96
C00164
7.5117803
-
4-Aminobutyraldehyde
4-Aminobutyraldehyde
ME648454
118
C00555
4.714699
-
4-Aminobutyraldehyde+5.1793814
4-Aminobutyraldehyde
ME648455
118
C00555
5.1793814
-
4-Aminobutyraldehyde+5.271877
4-Aminobutyraldehyde
ME648456
118
C00555
5.271877
-
4-Aminobutyraldehyde+5.382866
4-Aminobutyraldehyde
ME648457
118
C00555
5.382866
-
4-Aminobutyraldehyde+5.617605
4-Aminobutyraldehyde
ME648458
118
C00555
5.617605
-
4-Aminobutyraldehyde+6.510029
4-Aminobutyraldehyde
ME648459
118
C00555
6.510029
-
Acetamide
Acetamide
ME648504
178
C06244
0.89029264
-
Acetamide+1.3928151
Acetamide
ME648505
178
C06244
1.3928151
-
Acetamide+2.071302
Acetamide
ME648506
178
C06244
2.071302
-
Acetoin
Acetoin
ME648508
179
C00810
1.0984722
-
Acetoin+1.2081687
Acetoin
ME648509
179
C00810
1.2081687
-
Acetoin+1.6314733
Acetoin
ME648510
179
C00810
1.6314733
-
Adenine
Adenine
ME648512
190
C00147
3.5056396
-
beta-Alanine
beta-Alanine
ME648530
239
C00099
6.404423
-
beta-Alanine+6.93935
beta-Alanine
ME648531
239
C00099
6.93935
-
p-Hydroxyaniline
4-Aminophenol
ME648726
403
C02372
0.84499973
-
Hippuricacid
Hippuric acid
ME648628
464
C01586
3.0041544
-
L-2-Aminoadipicacid
Aminoadipic acid
ME648655
469
C00956
3.288732
-
L-2-Aminoadipicacid+2.5918813
Aminoadipic acid
ME648656
469
C00956
2.5918813
-
N1-Acetylspermidine
N1-Acetylspermidine
ME648689
496
C00612
8.636954
-
4-(diaminomethylideneamino)butanoicacid
4-Guanidinobutanoic acid
ME648449
500
C01035
6.092447
-
Creatine
Creatine
ME648560
586
C00300
6.9389777
-
Creatinine
Creatinine
ME648561
588
C00791
2.4072523
-
Creatinine+4.034313
Creatinine
ME648562
588
C00791
4.034313
-
Cytosine
Cytosine
ME648569
597
C00380
2.1584818
-
Cytosine+3.4283657
Cytosine
ME648570
597
C00380
3.4283657
-
Cytosine+3.9679208
Cytosine
ME648571
597
C00380
3.9679208
-
Diacetyl
Diacetyl
ME648578
650
C00741
7.193367
-
Diacetyl+2.5974343
Diacetyl
ME648579
650
C00741
2.5974343
-
Diacetyl+2.7385557
Diacetyl
ME648580
650
C00741
2.7385557
-
Dimethylglycine
Dimethylglycine
ME648591
673
C01026
1.7846118
-
Dimethylglycine+2.050125
Dimethylglycine
ME648592
673
C01026
2.050125
-
Dimethylglycine+2.8044205
Dimethylglycine
ME648593
673
C01026
2.8044205
-
Dimethylglycine+4.069634
Dimethylglycine
ME648594
673
C01026
4.069634
-
Dimethylglycine+6.2130203
Dimethylglycine
ME648595
673
C01026
6.2130203
-
Dimethylglycine+6.4713974
Dimethylglycine
ME648596
673
C01026
6.4713974
-
dimethylsulfoxide
Dimethyl sulfoxide
ME648597
679
C11143
1.8462195
-
Ectoine
Ectoine
ME648605
690
C06231
7.267914
-
Hypoxanthine
Hypoxanthine
ME648632
790
C00262
2.6440878
-
Hypoxanthine+2.7105587
Hypoxanthine
ME648633
790
C00262
2.7105587
-
Indoleacetaldehyde
Indoleacetaldehyde
ME648639
800
C00637
4.597
-
3-IndoleaceticAcid
Indoleacetic acid
ME648442
802
C00954
1.1343659
-
3-(3-Indolyl)-2-oxopropanoicacid
Indolepyruvate
ME648428
803
C00331
5.8040547
-
Methylglyoxal
Pyruvaldehyde
ME648678
880
C00546
2.5891871
-
Methylglyoxal+2.6626153
Pyruvaldehyde
ME648679
880
C00546
2.6626153
-
myo-Inositol
Myo-inositol
ME648682
892
C00137
2.8289764
-
N-Acetylarylamine
N-Acetylarylamine
ME648692
904
C02558
5.805092
-
Niacinamide
Niacinamide
ME648703
936
C00153
1.6075301
-
p-Aminobenzoicacid
p-Aminobenzoic acid
ME648715
978
C00568
6.6832967
-
PantothenicAcid
Pantothenic acid
ME648716
988
C00864
2.489793
-
Purine
Purine
ME648741
1044
C00465
0.93584925
-
Purine+0.8148545
Purine
ME648742
1044
C00465
0.8148545
-
Purine+1.0468682
Purine
ME648743
1044
C00465
1.0468682
-
Pyridoxamine
Pyridoxamine
ME648746
1052
C00534
1.5771261
-
Taurine
Taurine
ME648758
1123
C00245
5.2419195
-
Trimethylamine
Trimethylamine
ME648772
1146
C00565
5.747294
-
Uracil
Uracil
ME648791
1174
C00106
1.6182606
-
Uricacid
Uric acid
ME648794
1175
C00366
3.4792967
-
Urea
Urea
ME648792
1176
C00086
2.0711994
-
Urea+5.482235
Urea
ME648793
1176
C00086
5.482235
-
D-1-Piperideine-2-carboxylicacid
D-1-Piperideine-2-carboxylic acid
ME648572
1194
C01258
5.7138333
-
6-Formylindolo[3,2-B]carbazole
6-Formylindolo[3,2-B]carbazole
ME648487
1863
-
5.4170127
-
ACECLIDINE
Aceclidine
ME648503
1979
D02750
1.437087
-
ARECOLINE
Arecoline
ME648523
2230
C10129
1.4790455
-
Benserazide
Benserazide
ME648529
2327
-
3.4307697
-
Caffeine
Caffeine
ME648548
2519
C07481
1.2804737
-
carisoprodol
Carisoprodol
ME648552
2576
C07927
9.393912
-
Chlorambucil
Chlorambucil
ME648555
2708
C06900
2.0512083
-
ciclopirox
Ciclopirox
ME648558
2749
-
1.5472832
-
cyclandelate
Cyclandelate
ME648563
2893
-
10.888737
-
6-methyltetrahydropterin
6-Methyltetrahydropterin
ME648488
3124
-
2.0724773
-
Ethosuximide
Ethosuximide
ME648612
3291
C07505
4.786851
-
Gabapentin
Gabapentin
ME648616
3446
C07018
7.0416536
-
Glutaral(Glutaraldehyde)
Glutaral
ME648621
3485
C12518
1.1461207
-
Glutaral(Glutaraldehyde)+6.687109
Glutaral
ME648622
3485
C12518
6.687109
-
INDOLE-3-CARBINOL
Indole-3-carbinol
ME648635
3712
-
0.78765756
-
3-Indolepropionicacid
3-Indolepropionic acid
ME648443
3744
-
1.1146102
-
Isoniazid
Isoniazid
ME648647
3767
C07054
1.2840452
-
Mazindol
Mazindol
ME648675
4020
-
2.0525434
-
Ubiquinone
-
ME648789
4462
C00399
1.3740152
-
Ubiquinone+1.1367501
-
ME648790
4462
C00399
1.1367501
-
Nevirapine
Nevirapine
ME648699
4463
C07263
1.500935
-
5-NITRO-2-PHENYLPROPYLAMINOBENZOICACID[NPPB]
NPPB
ME648477
4549
C13705
1.1544144
-
5-NITRO-2-PHENYLPROPYLAMINOBENZOICACID[NPPB]+1.813...
NPPB
ME648478
4549
C13705
1.8134243
-
5-NITRO-2-PHENYLPROPYLAMINOBENZOICACID[NPPB]+2.088...
NPPB
ME648479
4549
C13705
2.088407
-
Quinone
Quinone
ME648751
4650
C00472
2.6441548
-
N-(2-hydroxyethyl)palmitamide
Palmitoyl-EA
ME648683
4671
C16512
1.1796081
-
Phenacetine
Phenacetin
ME648722
4754
C07591
5.9942465
-
Propofol
Propofol
ME648738
4943
C07523
1.0510482
-
PROPOXUR
Propoxur
ME648739
4944
C14334
1.3579435
-
4,6-dioxoheptanoicacid
Succinylacetone
ME648450
5312
-
6.9250965
-
Sulfaquinoxaline
Sulfaquinoxaline
ME648757
5338
-
2.791187
-
Theobromine
Theobromine
ME648763
5429
C07480
1.3522629
-
Theobromine+1.4370109
Theobromine
ME648764
5429
C07480
1.4370109
-
Vigabatrin
Vigabatrin
ME648805
5665
C07500
5.8849573
-
Vigabatrin+6.2900124
Vigabatrin
ME648806
5665
C07500
6.2900124
-
D-Glucose
Glucose
ME648575
5793
C00031
2.7702193
-
D-Glucose+2.9642036
Glucose
ME648576
5793
C00031
2.9642036
-
o-Hydroxyaniline
2-Aminophenol
ME648711
5801
C01987
6.0257587
-
Uridine
Uridine
ME648795
6029
C00299
2.1524785
-
Leucine
Leucine
ME648659
6106
C00123
1.5686128
-
Leucine+4.3551145
Leucine
ME648660
6106
C00123
4.3551145
-
Leucine+5.7213707
Leucine
ME648661
6106
C00123
5.7213707
-
Leucine+6.7406497
Leucine
ME648662
6106
C00123
6.7406497
-
Aniline
Aniline
ME648520
6115
C00292
5.5220013
-
Aniline+5.6175404
Aniline
ME648521
6115
C00292
5.6175404
-
Carbaryl
Carbaryl
ME648551
6129
C07491
1.3630971
-
Methionine
Methionine
ME648677
6137
C00073
3.297522
-
Valine
Valine
ME648801
6287
C00183
5.996155
-
Valine+6.60313
Valine
ME648802
6287
C00183
6.60313
-
Isoleucine
Isoleucine
ME648646
6306
C00407
5.802
-
Arginine
Arginine
ME648524
6322
C00062
8.3382635
-
4-Pyridoxicacid
4-Pyridoxic acid
ME648467
6723
C00847
2.7232323
-
4-Pyridoxicacid+2.8116002
4-Pyridoxic acid
ME648468
6723
C00847
2.8116002
-
Pyroglutamicacid
Pyroglutamic acid
ME648747
7405
C01879
5.1699767
-
Pyroglutamicacid+5.8255005
Pyroglutamic acid
ME648748
7405
C01879
5.8255005
-
Pyroglutamicacid+6.828353
Pyroglutamic acid
ME648749
7405
C01879
6.828353
-
Terephthalicacid
Terephthalic acid
ME648761
7489
C06337
1.0161121
-
Phenylmethylmethylketone
Phenylacetone
ME648724
7678
C15512
1.1021867
-
epsilon-Caprolactam
Epsilon-caprolactam
ME648606
7768
C06593
1.40922
-
epsilon-Caprolactam+6.1013503
Epsilon-caprolactam
ME648607
7768
C06593
6.1013503
-
epsilon-Caprolactam+6.236251
Epsilon-caprolactam
ME648608
7768
C06593
6.236251
-
Tetrahydrofuran
Tetrahydrofuran
ME648762
8028
-
1.2101412
-
Diethanolamine
Diethanolamine
ME648581
8113
C06772
5.2370005
-
Diethanolamine+5.527126
Diethanolamine
ME648582
8113
C06772
5.527126
-
Diethanolamine+5.649868
Diethanolamine
ME648583
8113
C06772
5.649868
-
Diethanolamine+5.8253593
Diethanolamine
ME648584
8113
C06772
5.8253593
-
Diethanolamine+6.332912
Diethanolamine
ME648585
8113
C06772
6.332912
-
Diethanolamine+6.525427
Diethanolamine
ME648586
8113
C06772
6.525427
-
Diethanolamine+6.6559505
Diethanolamine
ME648587
8113
C06772
6.6559505
-
n-HexanoicAcid
Caproic acid
ME648701
8892
C01585
1.230315
-
1-Hexadecylamine
1-Hexadecylamine
ME648381
8926
-
2.645276
-
1-Hexadecylamine+3.6542141
1-Hexadecylamine
ME648382
8926
-
3.6542141
-
Salicyluricacid
Salicyluric acid
ME648753
10253
C07588
2.1221669
-
Indole-3-ethanol
Tryptophanol
ME648636
10685
C00955
5.038
-
Indole-3-ethanol+5.1084623
Tryptophanol
ME648637
10685
C00955
5.1084623
-
Indole-3-ethanol+6.418022
Tryptophanol
ME648638
10685
C00955
6.418022
-
Hydroxyhydroquinone
1,2,4-Trihydroxybenzene
ME648630
10787
C02814
2.5737567
-
Hydroxyhydroquinone+2.737934
1,2,4-Trihydroxybenzene
ME648631
10787
C02814
2.737934
-
Naphazoline
Naphazoline
ME648696
11079
-
4.134547
-
Formestane
Formestane
ME648615
11273
-
6.5882998
-
3-Aminoquinoline
3-Aminoquinoline
ME648437
11375
-
1.6264418
-
2-Pyrrolidinone
2-Pyrrolidinone
ME648420
12025
C11118
1.5879394
-
2-Pyrrolidinone+2.0697286
2-Pyrrolidinone
ME648421
12025
C11118
2.0697286
-
2-Pyrrolidinone+2.8319786
2-Pyrrolidinone
ME648422
12025
C11118
2.8319786
-
2-Pyrrolidinone+3.2970328
2-Pyrrolidinone
ME648423
12025
C11118
3.2970328
-
2-Pyrrolidinone+3.786596
2-Pyrrolidinone
ME648424
12025
C11118
3.786596
-
Homoserine
Homoserine
ME648629
12647
C00263
3.6562924
-
Estradiolvalerate
Estradiol valerate
ME648610
13791
C12859
5.079062
-
Azatadine
Azatadine
ME648528
19861
C07774
1.1289248
-
PhthalicacidMono-2-ethylhexylEster
Monoethylhexyl phthalic acid
ME648725
20393
C03343
1.0278387
-
Phenylethylmalonamide(PEMA)
Phenylethylmalonamide
ME648723
23611
C07499
2.8969805
-
ANCITABINE
Ancitabine
ME648519
25051
-
3.376438
-
Glucoheptonicacid
Glucoheptonic acid
ME648617
25588
-
5.489075
-
1-Methyladenosine
1-Methyladenosine
ME648384
27476
C02494
6.059154
-
N-(2-hydroxyethyl)stearamide
Stearoyl-EA
ME648684
27902
-
1.1668111
-
Nadolol
Nadolol
ME648694
39147
C07249
6.140817
-
Acipimox
Acipimox
ME648511
39880
-
2.1532722
-
Mefloquine
Mefloquine
ME648676
40692
C07633
5.7998233
-
Pergolide
Pergolide
ME648720
47811
C07425
1.0905815
-
Pinacidil
Pindac
ME648728
55329
C13729
1.3926458
-
cis-11-Hexadecenal
cis-11-Hexadecenal
ME648559
62073
-
1.0808717
-
n-methylnicotinamide
N-Methylnicotinamide
ME648706
64950
-
1.3033913
-
n-methylnicotinamide+6.0330334
N-Methylnicotinamide
ME648707
64950
-
6.0330334
-
N(pai)-Methyl-L-histidine
3-Methylhistidine
ME648685
64969
C01152
3.6464064
-
1-Methylinosine
1-Methylinosine
ME648387
65095
-
2.4217954
-
DL-2-Aminooctanoicacid
2-Aminocaprylic acid
ME648598
69522
-
6.686406
-
DL-2-Aminooctanoicacid+6.14302
2-Aminocaprylic acid
ME648599
69522
-
6.14302
-
DL-2-Aminooctanoicacid+6.892978
2-Aminocaprylic acid
ME648600
69522
-
6.892978
-
1-Methyluricacid
1-Methyluric acid
ME648389
69726
C16359
2.2867913
-
1-Methylguanine
1-Methylguanine
ME648385
70315
C04152
3.7436695
-
1,4-Methylimidazoleaceticacid
Methylimidazoleacetic acid
ME648355
75810
C05828
7.3354774
-
5-(hydroxymethyl)-2-Furancarboxylicacid
Sumiki's acid
ME648471
80642
-
5.270854
-
5-(hydroxymethyl)-2-Furancarboxylicacid+5.6119556
Sumiki's acid
ME648472
80642
-
5.6119556
-
5-(hydroxymethyl)-2-Furancarboxylicacid+5.7976537
Sumiki's acid
ME648473
80642
-
5.7976537
-
Capryloylglycine
Capryloylglycine
ME648550
84290
-
2.2937582
-
Isopentenyladenine
N6-Isopentenyladenine
ME648648
92180
C04083
7.1859117
-
N2,N2-Dimethylguanosine
N2,N2-Dimethylguanosine
ME648690
92919
-
3.3803513
-
1-Methylguanosine
1-Methylguanosine
ME648386
96373
C04545
3.0870566
-
Lacticacid
Lactic acid
ME648658
107689
C00186
2.658787
-
alpha-Hydroxymetoprolol
alpha-Hydroxymetoprolol
ME648516
114962
-
6.351831
-
Trihydroxycoprostanoicacid
Trihydroxycoprostanoic acid
ME648771
122166
-
1.1373332
-
Asymmetricdimethylarginine
Dimethylarginine
ME648527
123831
C03626
8.575597
-
9-amino-nonanoicacid
9-Aminononanoic acid
ME648497
136877
-
4.4826794
-
Proline
Proline
ME648733
145742
C00148
6.302441
-
Proline+1.2899779
Proline
ME648734
145742
C00148
1.2899779
-
sn-1,2-Dioctanoylglycerol
DG 8:0_8:0
ME648755
148879
-
1.1093875
-
5-(3,4-Dihydroxy-1,5-cyclohexadien-1-yl)-5-phenylh...
5-(3,4-Dihydroxy-1,5-cyclohexadien-1-yl)-5-phenylhydantoin
ME648470
152954
-
5.1698422
-
12beta-Hydroxy-3-oxo-5beta-cholan-24-oicAcid
12beta-Hydroxy-3-oxo-5beta-cholan-24-oic acid
ME648361
154474
-
0.8925333
-
12beta-Hydroxy-3-oxo-5beta-cholan-24-oicAcid+1.006...
12beta-Hydroxy-3-oxo-5beta-cholan-24-oic acid
ME648362
154474
-
1.0063637
-
12beta-Hydroxy-3-oxo-5beta-cholan-24-oicAcid+1.175...
12beta-Hydroxy-3-oxo-5beta-cholan-24-oic acid
ME648363
154474
-
1.175578
-
5-Acetyl-4-methylthiazole
5-Acetyl-4-methylthiazole
ME648474
162292
-
1.5092238
-
D-Biotin
Biotin
ME648573
171548
C00120
3.3401358
-
7-Aminoclonazepam
7-Aminoclonazepam
ME648491
188298
-
2.0522072
-
Leupeptin
Leupeptin
ME648663
189069
-
1.1844426
-
N-Acetylcadaverine
N-Acetylcadaverine
ME648693
189087
-
6.259892
-
2-Hydroxyadipicacid
2-Hydroxyadipic acid
ME648409
193530
C02360
2.5044005
-
2-Hydroxyadipicacid+2.0358596
2-Hydroxyadipic acid
ME648410
193530
C02360
2.0358596
-
2-Hydroxyadipicacid+2.74419
2-Hydroxyadipic acid
ME648411
193530
C02360
2.74419
-
2-Methylbutyrylglycine
2-Methylbutyrylglycine
ME648414
193872
-
1.8581738
-
2-Methylbutyrylglycine+2.0774822
2-Methylbutyrylglycine
ME648415
193872
-
2.0774822
-
2-Methylbutyrylglycine+3.1958613
2-Methylbutyrylglycine
ME648416
193872
-
3.1958613
-
2-Methylbutyrylglycine+6.5558777
2-Methylbutyrylglycine
ME648417
193872
-
6.5558777
-
2-Octenedioicacid
2-Octenedioic acid
ME648418
225490
-
6.7032104
-
3-Nitrotyrosine
Nitrotyrosine
ME648445
235719
-
2.153043
-
ANISOMYCIN
Anisomycin
ME648522
253602
C11281
6.507025
-
AlaLeu
Ala-Leu
ME648514
259583
-
7.0862947
-
12-oxo-9-octadecynoicacid
12-Oxo-9-octadecynoic acid
ME648365
349300
-
1.066978
-
5-Methylthioribose
5-Methylthioribose
ME648476
439904
C03089
2.807837
-
GuanidinosuccinicAcid
Guanidinosuccinic acid
ME648624
439918
C03139
5.7202754
-
GuanidinosuccinicAcid+5.802178
Guanidinosuccinic acid
ME648625
439918
C03139
5.802178
-
D-Leucicacid
D-Leucic acid
ME648601
439960
C03264
1.6320212
-
D-Leucicacid+1.7741078
D-Leucic acid
ME648602
439960
C03264
1.7741078
-
N,N-dimethylhistidine
N,N-Dimethylhistidine
ME648686
440274
C04259
4.697116
-
Netilmicin
Netilmicin
ME648698
441306
C07657
4.1313305
-
Glucosamine
Glucosamine
ME648618
441477
C00329
2.558658
-
Glucosamine+2.7338603
Glucosamine
ME648619
441477
C00329
2.7338603
-
Ecgonine
Ecgonine
ME648603
443003
C10858
6.5745387
-
p-Coumaricacid
cis-p-Coumaric acid
ME648718
637542
C00811
5.805054
-
ISOSAFROLE
Isosafrole
ME648651
637796
C10472
1.0673951
-
ISOSAFROLE+1.0978807
Isosafrole
ME648652
637796
C10472
1.0978807
-
p-HYDROXYCINNAMALDEHYDE
(E)-3-(4-Hydroxyphenyl)-2-propenal
ME648727
641301
C05608
5.610446
-
beta-vinylacrylicacid
beta-Vinyl acrylic acid
ME648532
642034
-
2.6169531
-
Buprenorphine
Buprenorphine
ME648544
644073
C08007
6.5938244
-
Buprenorphine+6.5073805
Buprenorphine
ME648545
644073
C08007
6.5073805
-
9-chloro-10-hydroxy-hexadecanoicacid
9-Chloro-10-hydroxyhexadecanoic acid
ME648498
656826
C13949
1.2078001
-
9-chloro-10-hydroxy-hexadecanoicacid+1.4075756
9-Chloro-10-hydroxyhexadecanoic acid
ME648499
656826
C13949
1.4075756
-
Tiamulin
Tiamulin
ME648765
656958
C12065
6.4403963
-
Tiamulin+6.5371113
Tiamulin
ME648766
656958
C12065
6.5371113
-
3,4,5-Trimethoxycinnamicacid
3,4,5-Trimethoxycinnamic acid
ME648431
735755
-
1.5375124
-
Urocanicacid
Urocanic acid
ME648796
736715
C00785
1.672989
-
Urocanicacid+2.856702
Urocanic acid
ME648797
736715
C00785
2.856702
-
Estronesulfate
Estrone 3-sulfate
ME648611
3001028
C02538
2.0164473
-
12-Ketodeoxycholicacid
12-Ketolithocholic acid
ME648364
3080612
-
1.0903387
-
S-Methylpenicillamine
S-Methylpenicillamine
ME648754
3082390
-
3.968599
-
1-hexadecanoyl-sn-glycerol
MG 16:0/0:0/0:0
ME648379
3084463
-
1.0808929
-
C17Sphinganine
C17 Sphinganine
ME648547
3247037
-
4.0602555
-
KOBUSONE
Kobusone
ME648654
3440569
-
1.0685999
-
3-Amino-2-piperidone
3-Amino-2-piperidone
ME648436
5200225
-
5.827565
-
Bilirubin
Bilirubin
ME648533
5280352
C00486
1.1329374
-
Bilirubin+3.949239
Bilirubin
ME648534
5280352
C00486
3.949239
-
BiliverdinIX
Biliverdin
ME648535
5280353
C00500
1.1864623
-
BiliverdinIX+1.4045436
Biliverdin
ME648536
5280353
C00500
1.4045436
-
BiliverdinIX+1.4682751
Biliverdin
ME648537
5280353
C00500
1.4682751
-
BiliverdinIX+1.6236403
Biliverdin
ME648538
5280353
C00500
1.6236403
-
BiliverdinIX+2.0339859
Biliverdin
ME648539
5280353
C00500
2.0339859
-
BiliverdinIX+3.9496963
Biliverdin
ME648540
5280353
C00500
3.9496963
-
2-Methyl-5-isopropylhexa-2Z,5-dienal
2-Methyl-5-isopropylhexa-2Z,5-dienal
ME648413
5280680
C04435
1.0550998
-
L-Urobilin
L-Urobilin
ME648672
5280818
C05793
1.4634181
-
HARMINE
Harmine
ME648626
5280953
C06538
1.7638779
-
2-Oxo-4E-hexenoicacid
2-Oxo-4E-hexenoic acid
ME648419
5280996
C06761
2.0363421
-
OphiobolinA
Ophiobolin A
ME648713
5281387
C09145
5.376852
-
3-tert-butyl-3-butenoicacid
3-tert-Butyl-3-butenoic acid
ME648448
5282665
-
1.0832257
-
2-decylenicacid
2-Decenoic acid
ME648406
5282724
-
1.0459135
-
9-lauroleicacid
9-Dodecenoic acid
ME648501
5282733
-
1.0400001
-
6,9,12-hexadecatrienoicacid
6,9,12-hexadecatrienoic acid
ME648483
5282811
-
1.0639892
-
10,12,15-octadecatrienoicacid
10,12,15-Octadecatrienoic acid
ME648356
5282824
-
1.0556668
-
4,8,12,15,19,21-tetracosahexaenoicacid
4,8,12,15,19,21-Tetracosahexaenoic acid
ME648453
5282851
-
1.1945221
-
16-hydroperoxy-9Z,12,14E-octadecatrienoicacid
16-HpOTrE
ME648370
5282867
-
1.1254731
-
7,8-dihydroxystearicacid
7,8-Dihydroxy stearic acid
ME648490
5282928
-
1.0591278
-
9-hydroxy-12-oxo-10-octadecenoicacid
9-Hydroxy-12-oxo-10-octadecenoic acid
ME648500
5282968
-
1.1443454
-
8-methoxy-13-hydroxy-9,11-octadecadienoicacid
8-Methoxy-13-hydroxy-9,11-octadecadienoic acid
ME648495
5283022
-
1.1081955
-
Traumaticacid
Traumatic acid
ME648770
5283028
C16308
1.0818081
-
PGF2alphaisopropylester
PGF2alpha isopropyl ester
ME648721
5283077
-
1.1288795
-
(+/-)14,15-EpETrE
14,15-EpETrE
ME648331
5283205
C14771
1.1014147
-
14-methyl-1-hexadecanol
14-Methyl-1-hexadecanol
ME648369
5283264
-
6.6018653
-
3E,13Z-octadecadien-1-ol
3E,13Z-Octadecadien-1-ol
ME648440
5283297
-
1.070258
-
3,6,8-dodecatrien-1-ol
3,6,8-Dodecatrien-1-ol
ME648433
5283307
-
1.040966
-
2,4-octadienal
(E,E)-2,4-Octadienal
ME648392
5283329
-
1.063317
-
2-tridecene-4,7-diynal
2-Tridecene-4,7-diynal
ME648427
5283365
-
2.1115332
-
6,8,10,12-pentadecatetraenal
6,8,10,12-Pentadecatetraenal
ME648482
5283373
-
8.132538
-
N'-5Z,8Z,11Z,14Z-eicosatetraenoyl-N''-diethyl-ethy...
-
ME648691
5283407
-
1.0965627
-
N-propyl-16,16-dimethyl-5Z,8Z,11Z,14Z-docosatetrae...
-
ME648710
5283428
-
1.1980872
-
Anandamide(20:2,n-6)
Eicosadienoyl-EA
ME648518
5283444
-
1.1215
-
1-(9Z,12Z-octadecadienoyl)-rac-glycerol
MG 18:2
ME648351
5283469
-
1.0918388
-
stigmasta-7,22E,25-trien-3beta-ol
Stigmasta-7,22E,25-trien-3beta-ol
ME648756
5283656
-
1.0525439
-
campesta-5,22E-dien-3beta-ol
24-epi-Brassicasterol
ME648549
5283660
C08813
1.0656513
-
1alpha,25-dihydroxy-24-oxovitaminD_3/1alpha,25-dih...
1alpha,25-Dihydroxy-24-oxovitamin D3
ME648374
5283703
-
1.1451617
-
1alpha,18-dihydroxyvitaminD_3/1alpha,18-dihydroxyc...
-
ME648371
5283733
-
1.0927311
-
7,12-Dioxo-5beta-cholan-24-oicAcid
7,12-Dioxo-5beta-cholan-24-oic acid
ME648489
5283916
-
1.0698233
-
3alpha,12alpha,25-trihydroxy-5beta-cholestan-7-one
3alpha,12alpha,25-Trihydroxy-5beta-cholestan-7-one
ME648435
5284204
-
1.073195
-
Nalorphine
Nalorphine
ME648695
5284595
C11787
1.0984021
-
2,5-decadienoicacid
2,5-Decadienoic acid
ME648393
5312353
-
1.0819322
-
3E,5E-tridecadienoicacid
3E,5E-Tridecadienoic acid
ME648441
5312396
-
1.1855154
-
5Z,8Z-tetradecadienoicacid
5,8-Tetradecadienoic acid
ME648481
5312409
-
1.0644196
-
12Z,15Z-octadecadienoicacid
12Z,15Z-Octadecadienoic acid
ME648366
5312453
-
1.0553014
-
3-dodecynoicacid
3-Dodecynoic acid
ME648439
5312606
-
1.0525545
-
4-dodecynoicacid
4-Dodecynoic acid
ME648460
5312607
-
1.1956495
-
3,6-octadecadiynoicacid
3,6-Octadecadiynoic acid
ME648434
5312645
-
1.0777537
-
4-undecynoicacid
4-Undecynoic acid
ME648469
5312731
-
1.2068238
-
3R-hydroxy-5Z-dodecenoicacid
3R-Hydroxy-5Z-dodecenoic acid
ME648447
5312807
-
1.0842729
-
9R-hydroxy-10E-octadecenoicacid
9R-HOME(10E)
ME648502
5312845
-
1.05346
-
20-oxo-heneicosanoicacid
20-Oxoheneicosanoic acid
ME648394
5312924
-
1.0688146
-
5-oxo-7-octenoicacid
5-Oxo-7-octenoic acid
ME648480
5312943
-
1.2262174
-
1-(11E-octadecenoyl)-rac-glycerol
MG 18:1
ME648347
5319879
-
1.1173187
-
Norcodeine
Norcodeine
ME648708
5359402
-
1.1208724
-
12-amino-dodecanoicacid
12-Aminododecanoic acid
ME648360
6102805
-
1.2085509
-
2-Hydroxyiminodibenzyl
2-Hydroxyiminodibenzyl
ME648412
6427991
-
2.4213085
-
Normeperidinicacid
Normeperidinicacid
ME648709
7057944
-
6.1153264
-
4,7,10,13-hexadecatetraenoicacid
4,7,10,13-Hexadecatetraenoic acid
ME648452
9543611
-
1.1237208
-
1-(9Z-hexadecenoyl)-2-(9Z,12Z-heptadecadienoyl)-sn...
DG 16:1_17:2
ME648352
9543687
-
1.0555121
-
1-(9Z,12Z-heptadecadienoyl)-2-(5Z,8Z,11Z,14Z,17Z-e...
-
ME648350
9543777
-
1.0735849
-
1alpha,25-dihydroxy-3-deoxy-3-thiavitaminD3/1alpha...
-
ME648376
9547300
-
1.1358331
-
(24S)-1alpha,24-dihydroxy-22-oxa-20-epivitaminD3/(...
-
ME648340
9547314
-
1.0748647
-
(23R,25R)-1alpha,25-dihydroxyvitaminD326,23-lacton...
-
ME648339
9547368
-
5.698626
-
(23R)-1alpha,23,25-trihydroxy-24-oxovitaminD3/(23R...
-
ME648338
9547405
-
1.1769531
-
(10E)-19-fluorovitaminD3/(10E)-19-fluorocholecalci...
-
ME648332
9547410
-
1.1113684
-
25-hydroxy-26,27-dimethylvitaminD3/25-hydroxy-26,2...
25-Hydroxy-26,27-dimethylvitamin D3
ME648396
9547523
-
1.0220449
-
(22R)-1alpha,22,25-trihydroxy-26,27-dimethyl-23,24...
-
ME648336
9547559
-
1.147525
-
(22R)-1alpha,22,25-trihydroxy-26,27-dimethyl-23,24...
-
ME648337
9547559
-
1.1406572
-
1beta,25-dihydroxy-2beta-(3-hydroxypropoxy)vitamin...
-
ME648378
9547582
-
1.0867635
-
1alpha,25-dihydroxy-22-oxavitaminD33-hemiglutarate...
-
ME648373
9547596
-
6.1873183
-
(22E,24E)-1alpha,25-dihydroxy-26,27-diethyl-22,23,...
-
ME648335
9547617
-
1.1324631
-
1alpha,25-dihydroxy-2beta-(5-hydroxypentoxy)vitami...
-
ME648375
9547631
-
1.0716765
-
1alpha,25-dihydroxy-11beta-phenylvitaminD3/1alpha,...
-
ME648372
9547633
-
1.1471081
-
(20R)-1alpha,25-dihydroxy-20-phenyl-16,17-didehydr...
-
ME648334
9547680
-
1.1244284
-
1alpha-hydroxy-18-[m-(1-hydroxy-1-ethylpropyl)-ben...
-
ME648377
9547685
-
1.1388863
-
2-Ethylisonicotinicacid
2-Ethylisonicotinicacid
ME648408
10125075
-
0.7490423
-
6-[3]-ladderane-1-hexanol
6-[3]-Ladderane-1-hexanol
ME648484
10244470
-
1.0599346
-
N-arachidonoylD-serine
N-Arachidonoyl D-serine
ME648697
10548500
-
5.6135354
-
1-Methylpiperazine
1-Methylpiperazine
ME648388
11170923
-
3.4210293
-
Pyridine
Pyridine
ME648745
12196969
C00747
1.2703334
-
Glycoursodeoxycholicacid
Glycoursodeoxycholic acid
ME648623
12310288
-
4.769728
-
Dihydroxylycopene/OH-Rhodopin
Dihydroxylycopene
ME648590
14502754
-
0.97793657
-
Indoleacrylicacid
Indoleacrylic acid
ME648640
15030923
C00331
5.433206
-
Indoleacrylicacid+5.4790144
Indoleacrylic acid
ME648641
15030923
C00331
5.4790144
-
Indoleacrylicacid+5.505976
Indoleacrylic acid
ME648642
15030923
C00331
5.505976
-
Indoleacrylicacid+5.610031
Indoleacrylic acid
ME648643
15030923
C00331
5.610031
-
6alpha-Hydroxycastasterone
6alpha-Hydroxycastasterone
ME648485
15542699
-
1.0590609
-
6alpha-Hydroxycastasterone+1.0918373
6alpha-Hydroxycastasterone
ME648486
15542699
-
1.0918373
-
Parasiloxanthin/7,8-Dihydrozeaxanthin
7,8-Dihydrozeaxanthin
ME648717
16061229
-
1.0547636
-
3,4-Dihydrospirilloxanthin
3,4-Dihydrospirilloxanthin
ME648432
16061284
-
1.0482203
-
Fexofenadine
Fexofenadine
ME648614
16417045
C06999
5.351806
-
1-Hexadecyl-2-arachidonoyl-glycerol
PC O-16:0/20:4
ME648380
16759358
-
4.4339747
-
3-DeoxyvitaminD3
3-Deoxyvitamin D3
ME648438
24779628
-
0.9180716
-
25-Hydroxy[26,27-methyl]vitaminD33beta-(1,2-epoxyp...
25-Hydroxy[26,27-methyl]vitamin D3 3beta-(1,2-epoxypropyl)ether
ME648395
24779631
-
1.0998793
-
1-HydroxyvitaminD33-D-glucopyranoside
1-Hydroxyvitamin D3 3-D-glucopyranoside
ME648383
24779645
-
6.404495
-
Amiloride
Amiloride
ME648517
24906311
C06821
1.511171
-
8-Amino-7-oxononanoate
8-Amino-7-oxononanoic acid
ME648492
25244029
C01092
1.4514564
-
8-Amino-7-oxononanoate+7.294702
8-Amino-7-oxononanoic acid
ME648493
25244029
C01092
7.294702
-
MYCOPHENOLICACID
Mycophenolic acid
ME648681
49849463
-
5.552565
-
11-deoxy-PGE2
11-Deoxy-PGE2
ME648359
53394165
-
1.1569245
-
pentanamide
Pentanamide
ME648719
53630576
C01842
7.511506
-
Isoquinoline
Isoquinoline
ME648649
57417613
C06323
1.1286854
-
Pyrazinoicacid
Pyrazine-2-carboxylic ccid
ME648744
57429767
-
2.1526847
-
Rimiterol
-
ME648752
70685132
-
2.2859547
-
14-hydroxy-12-tetradecenoicacid
14-Hydroxy-12-tetradecenoic acid
ME648368
71334318
-
1.0735054
-
10-hydroxy-2E,8E-Decadiene-4,6-diynoicacid
-
ME648357
-
-
1.1528398
-
10-hydroxy-2E,8E-Decadiene-4,6-diynoicacid+1.20595...
-
ME648358
-
-
1.2059581
-
1,2-Didecanoyl-glycerol(10:0)
-
ME648353
-
-
1.0704348
-
1-(2-Pyrimidyl)piperazine
1-(2-Pyrimidyl)piperazine
ME648348
-
-
4.815694
-
1-(2-Pyrimidyl)piperazine+5.2760143
1-(2-Pyrimidyl)piperazine
ME648349
-
-
5.2760143
-
1,3-DIPROPYL-8-CYCLOPENTYLXANTHINE[DPCPX]
-
ME648354
-
-
5.410817
-
13S-hydroxy-9E,11Z-octadecadienoicacid
-
ME648367
-
-
1.0632938
-
1-octadecanoyl-rac-glycerol
MG 18:0
ME648390
-
-
1.0704623
-
1-Phenyl-2-(diethylamino)-1-propanol
-
ME648391
-
-
1.1024413
-
(1S,2S)-3-oxo-2-pentyl-cyclopentanebutanoicacid
(1S,2S)-3-Oxo-2-pentyl-cyclopentanebutanoic acid
ME648333
-
-
1.0772803
-
(24S)-1alpha,24-dihydroxy-22-oxavitaminD3/(24S)-1a...
-
ME648341
-
-
0.92606527
-
2-Amino-2-methyl-1-propanol
-
ME648397
-
-
1.5630761
-
2-Amino-2-methyl-1-propanol+4.6926875
-
ME648398
-
-
4.6926875
-
2-Amino-2-methyl-1-propanol+5.1998544
-
ME648399
-
-
5.1998544
-
2-Amino-2-methyl-1-propanol+5.3564744
-
ME648400
-
-
5.3564744
-
2-Amino-2-methyl-1-propanol+5.645574
-
ME648401
-
-
5.645574
-
2-Amino-3-methyl-1-butanol
-
ME648402
-
-
5.751033
-
2-Amino-3-methyl-1-butanol+6.472044
-
ME648403
-
-
6.472044
-
2-Aminopropanol
2-Aminopropanol
ME648404
-
-
1.7960457
-
2-Aminopropanol+6.3286147
2-Aminopropanol
ME648405
-
-
6.3286147
-
2-docosanamidoethanesulfonicacid
-
ME648407
-
-
5.293774
-
2R-aminoheptanoicacid
2R-Aminoheptanoic acid
ME648425
-
-
7.193232
-
2R-aminoheptanoicacid+6.352442
2R-Aminoheptanoic acid
ME648426
-
-
6.352442
-
3,3,45-Tetrahydroxystilbene
-
ME648429
-
-
1.6182361
-
3,3,45-Tetrahydroxystilbene+3.5932326
-
ME648430
-
-
3.5932326
-
(3-Methoxy-4-hydroxyphenyl)ethyleneglycolsulfate
3-Methoxy-4-hydroxyphenylethyleneglycol sulfate
ME648342
-
-
5.5069423
-
3'-Methoxy-E,E-dienoestrol
-
ME648444
-
-
2.1195443
-
3-oxo-4-pentenoicacid
3-Oxo-4-pentenoic acid
ME648446
-
-
2.561609
-
4,7,10,13,16-docosapentaenoicacid
4,7,10,13,16-Docosapentaenoic acid
ME648451
-
-
0.8921706
-
4-Hydroxybenzylcyanide
4-Hydroxybenzeneacetonitrile
ME648461
-
-
0.7902259
-
4-Hydroxybenzylcyanide+6.59952
4-Hydroxybenzeneacetonitrile
ME648462
-
-
6.59952
-
4-Hydroxybenzylcyanide+6.609466
4-Hydroxybenzeneacetonitrile
ME648463
-
-
6.609466
-
4-Hydroxypyridine
4-Pyridone
ME648464
-
-
0.8238916
-
4-Hydroxypyridine+1.305617
4-Pyridone
ME648465
-
-
1.305617
-
4-Hydroxypyridine+3.056915
4-Pyridone
ME648466
-
-
3.056915
-
5-Ethyl-5-(1-methyl-3-carboxypropyl)barbituricacid
-
ME648475
-
-
3.0417173
-
8-Hydroxypromazine
-
ME648494
-
-
3.0157893
-
8R-hydroxy-9Z-octadecenoicacid
-
ME648496
-
-
1.1003395
-
AGELASINE
-
ME648513
-
-
5.416588
-
AlaSerTrp
Ala-Ser-Trp
ME648515
-
-
2.7178218
-
AsnAlaAsn
Asn-Ala-Asn
ME648525
-
-
1.1902683
-
AsnProLys
Asn-Pro-Lys
ME648526
-
-
5.9758644
-
Bis(2-hydroxypropyl)amine
-
ME648541
-
-
4.8587575
-
Bis(2-hydroxypropyl)amine+5.481559
-
ME648542
-
-
5.481559
-
Bis(2-hydroxypropyl)amine+5.6003766
-
ME648543
-
-
5.6003766
-
B-ureidoisobutyricacid
-
ME648546
-
-
2.8427072
-
CARYLOPHYLLENEOXIDE
-
ME648553
-
-
1.0647498
-
cefamandolenafate
-
ME648554
-
-
2.0391972
-
Chloramphenicolalcohol
-
ME648556
-
-
2.8678248
-
Chloramphenicolalcohol+3.2187703
-
ME648557
-
-
3.2187703
-
cyclohexylammonium
Cyclohexylamine
ME648564
-
-
4.802736
-
cyclohexylammonium+2.7358363
Cyclohexylamine
ME648565
-
-
2.7358363
-
cyclohexylammonium+5.197659
Cyclohexylamine
ME648566
-
-
5.197659
-
CysAsnThr
Cys-Asn-Thr
ME648567
-
-
5.427595
-
CysIleHis
Cys-Ile-His
ME648568
-
-
2.0444787
-
deschlorobenzoylIndomethacin
-
ME648574
-
-
2.6107166
-
D-Homogesterone
-
ME648577
-
-
6.4283266
-
DIHYDROFISSINOLIDE
-
ME648588
-
-
5.423968
-
DIHYDRO-OBLIQUIN
-
ME648589
-
-
1.7541665
-
(E)-2-Methylglutaconicacid
2-Methylglutaconic acid
ME648343
-
-
2.541954
-
(E)-2-Methylglutaconicacid+2.7288678
2-Methylglutaconic acid
ME648344
-
-
2.7288678
-
(E)-2-Methylglutaconicacid+7.1860867
2-Methylglutaconic acid
ME648345
-
-
7.1860867
-
Ecgonine-methylester
-
ME648604
-
-
6.3121686
-
Ergoline-8-methanol,10-methoxy-1,6-dimethyl-
-
ME648609
-
-
5.172648
-
EthosuximideM7
-
ME648613
-
-
2.8850381
-
GluGlu
Glu-Glu
ME648620
-
-
5.533334
-
HECOGENINACETATE
-
ME648627
-
-
1.017476
-
IleSerLys
Ile-Ser-Lys
ME648634
-
-
0.98745143
-
isoamylnitrite
-
ME648644
-
-
1.4070989
-
isoamylnitrite+1.8073217
-
ME648645
-
-
1.8073217
-
IsoquinolineN-oxide
-
ME648650
-
-
1.1665803
-
Ketaminemetabolite(Cyclohexanone,2-(2-chlorophenyl...
-
ME648653
-
-
2.6625488
-
L-4-Hydroxy-3-methoxy-a-methylphenylalanine
-
ME648657
-
-
2.0420208
-
LeuPro
Leu-Pro
ME648664
-
-
7.8548894
-
LeuPro+8.030013
Leu-Pro
ME648665
-
-
8.030013
-
LeuProPro
Leu-Pro-Pro
ME648666
-
-
5.6400676
-
LEVULINICACID,3-BENZYLIDENYL-
-
ME648667
-
-
1.0318167
-
L-gamma-Cyano-gamma-aminobutyricacid
-
ME648668
-
-
7.233923
-
L-gamma-Cyano-gamma-aminobutyricacid+1.2438003
-
ME648669
-
-
1.2438003
-
L-Glutamicaciddibutylester
-
ME648670
-
-
6.3726034
-
Lorazepamglucuronide
-
ME648671
-
-
5.6070933
-
LysGlnIle
Lys-Gln-Ile
ME648673
-
-
3.5092492
-
LysHisMet
Lys-His-Met
ME648674
-
-
1.0981611
-
MetTrpGln
Met-Trp-Gln
ME648680
-
-
5.030081
-
N1,N4-Diacetylsulfanilamide
-
ME648688
-
-
1.0877879
-
N-gamma-Acetyl-N-2-formyl-5-methoxykynurenamine
-
ME648700
-
-
5.1699085
-
N-HISTIDYL-2-AMINONAPHTHALENE(betaNA)
-
ME648702
-
-
1.1021628
-
N-Methyl-2-pyridone-5-carboxamide(Nudifloramide)
-
ME648704
-
-
1.9183118
-
N-methyl-Gabapentin
-
ME648705
-
-
1.205244
-
N,O-Didesmethylvenlafaxine
-
ME648687
-
-
1.1850916
-
OLEANANOICACIDACETATE
-
ME648712
-
-
1.0735099
-
o-Toluenesulfamide
-
ME648714
-
-
5.8102994
-
Pinacidil+6.5333734
Pindac
ME648729
-
-
6.5333734
-
Pinacidil-N-Oxide
-
ME648730
-
-
7.3511677
-
ProArgAsp
Pro-Arg-Asp
ME648731
-
-
1.1219872
-
ProHis
Pro-His
ME648732
-
-
5.8276343
-
Propionylglycinemethylester
-
ME648735
-
-
2.063841
-
Propionylglycinemethylester+3.163646
-
ME648736
-
-
3.163646
-
Propionylglycinemethylester+6.2598743
-
ME648737
-
-
6.2598743
-
ProTyr
Pro-Tyr
ME648740
-
-
1.2286
-
QUERCETINTETRAMETHYL(5,7,3',4')ETHER
-
ME648750
-
-
2.0315366
-
TEGASEROD
Tegaserod
ME648759
-
-
7.09571
-
TEGASEROD+6.4934783
Tegaserod
ME648760
-
-
6.4934783
-
Tranexamicacid
Tranexamic acid
ME648767
-
C12535
4.7986984
-
Tranexamicacid+1.6364517
Tranexamic acid
ME648768
-
C12535
1.6364517
-
Tranexamicacid+6.7028675
Tranexamic acid
ME648769
-
C12535
6.7028675
-
Triparanol
Triparanol
ME648773
-
-
1.6634947
-
Triparanol+6.444099
Triparanol
ME648774
-
-
6.444099
-
Triparanol+6.739891
Triparanol
ME648775
-
-
6.739891
-
Triparanol+7.1791935
Triparanol
ME648776
-
-
7.1791935
-
TROMETHAMINE
2-Amino-2-methylol-propane-1,3-diol
ME648777
-
-
5.0170226
-
TROMETHAMINE+5.1856112
2-Amino-2-methylol-propane-1,3-diol
ME648778
-
-
5.1856112
-
TROMETHAMINE+5.4366517
2-Amino-2-methylol-propane-1,3-diol
ME648779
-
-
5.4366517
-
TROMETHAMINE+5.5924644
2-Amino-2-methylol-propane-1,3-diol
ME648780
-
-
5.5924644
-
TROMETHAMINE+5.7465215
2-Amino-2-methylol-propane-1,3-diol
ME648781
-
-
5.7465215
-
TROMETHAMINE+5.827722
2-Amino-2-methylol-propane-1,3-diol
ME648782
-
-
5.827722
-
TROMETHAMINE+5.9955096
2-Amino-2-methylol-propane-1,3-diol
ME648783
-
-
5.9955096
-
TROMETHAMINE+6.2190123
2-Amino-2-methylol-propane-1,3-diol
ME648784
-
-
6.2190123
-
TROMETHAMINE+6.6530137
2-Amino-2-methylol-propane-1,3-diol
ME648785
-
-
6.6530137
-
TrpAlaIle
Trp-Ala-Ile
ME648786
-
-
1.2448509
-
TrpArgGly
Trp-Arg-Gly
ME648787
-
-
1.198362
-
TrpTyrTyr
Trp-Tyr-Tyr
ME648788
-
-
3.300751
-
URSINICACID
-
ME648798
-
-
5.5716996
-
VALERYLSALYCILATE
-
ME648799
-
-
1.1502308
-
ValHisAsn
Val-His-Asn
ME648800
-
-
1.0690416
-
ValSerLys
Val-Ser-Lys
ME648803
-
-
1.070081
-
ValSerLys+1.0849711
Val-Ser-Lys
ME648804
-
-
1.0849711
-
(Z)-N-(2-hydroxyethyl)hexadec-7-enamide
-
ME648346
-
-
1.042607
-
Analysis: MS positive ion mode/HILIC
Select
Metabolite Name
RefMet Name/Standardized Name*
WorkBenchMetabolite_ID
PubChemCompound_ID
Kegg Id
Retentiontime/index
m/z ratio
Acetoaceticacid
Acetoacetic acid
ME648988
96
C00164
7.5117803
-
4-Aminobutyraldehyde
4-Aminobutyraldehyde
ME648935
118
C00555
4.714699
-
4-Aminobutyraldehyde+5.1793814
4-Aminobutyraldehyde
ME648936
118
C00555
5.1793814
-
4-Aminobutyraldehyde+5.271877
4-Aminobutyraldehyde
ME648937
118
C00555
5.271877
-
4-Aminobutyraldehyde+5.382866
4-Aminobutyraldehyde
ME648938
118
C00555
5.382866
-
4-Aminobutyraldehyde+5.617605
4-Aminobutyraldehyde
ME648939
118
C00555
5.617605
-
4-Aminobutyraldehyde+6.510029
4-Aminobutyraldehyde
ME648940
118
C00555
6.510029
-
Acetamide
Acetamide
ME648985
178
C06244
0.89029264
-
Acetamide+1.3928151
Acetamide
ME648986
178
C06244
1.3928151
-
Acetamide+2.071302
Acetamide
ME648987
178
C06244
2.071302
-
Acetoin
Acetoin
ME648989
179
C00810
1.0984722
-
Acetoin+1.2081687
Acetoin
ME648990
179
C00810
1.2081687
-
Acetoin+1.6314733
Acetoin
ME648991
179
C00810
1.6314733
-
Adenine
Adenine
ME648993
190
C00147
3.5056396
-
beta-Alanine
beta-Alanine
ME649011
239
C00099
6.404423
-
beta-Alanine+6.93935
beta-Alanine
ME649012
239
C00099
6.93935
-
p-Hydroxyaniline
4-Aminophenol
ME649222
403
C02372
0.84499973
-
Hippuricacid
Hippuric acid
ME649122
464
C01586
3.0041544
-
L-2-Aminoadipicacid
Aminoadipic acid
ME649150
469
C00956
3.288732
-
L-2-Aminoadipicacid+2.5918813
Aminoadipic acid
ME649151
469
C00956
2.5918813
-
N1-Acetylspermidine
N1-Acetylspermidine
ME649185
496
C00612
8.636954
-
4-(diaminomethylideneamino)butanoicacid
4-Guanidinobutanoic acid
ME648930
500
C01035
6.092447
-
Creatine
Creatine
ME649042
586
C00300
6.9389777
-
Creatinine
Creatinine
ME649043
588
C00791
2.4072523
-
Creatinine+4.034313
Creatinine
ME649044
588
C00791
4.034313
-
Cytosine
Cytosine
ME649051
597
C00380
2.1584818
-
Cytosine+3.4283657
Cytosine
ME649052
597
C00380
3.4283657
-
Cytosine+3.9679208
Cytosine
ME649053
597
C00380
3.9679208
-
Diacetyl
Diacetyl
ME649060
650
C00741
7.193367
-
Diacetyl+2.5974343
Diacetyl
ME649061
650
C00741
2.5974343
-
Diacetyl+2.7385557
Diacetyl
ME649062
650
C00741
2.7385557
-
Dimethylglycine
Dimethylglycine
ME649073
673
C01026
1.7846118
-
Dimethylglycine+2.050125
Dimethylglycine
ME649074
673
C01026
2.050125
-
Dimethylglycine+2.8044205
Dimethylglycine
ME649075
673
C01026
2.8044205
-
Dimethylglycine+4.069634
Dimethylglycine
ME649076
673
C01026
4.069634
-
Dimethylglycine+6.2130203
Dimethylglycine
ME649077
673
C01026
6.2130203
-
Dimethylglycine+6.4713974
Dimethylglycine
ME649078
673
C01026
6.4713974
-
dimethylsulfoxide
Dimethyl sulfoxide
ME649079
679
C11143
1.8462195
-
Ectoine
Ectoine
ME649087
690
C06231
7.267914
-
Hypoxanthine
Hypoxanthine
ME649126
790
C00262
2.6440878
-
Hypoxanthine+2.7105587
Hypoxanthine
ME649127
790
C00262
2.7105587
-
Indoleacetaldehyde
Indoleacetaldehyde
ME649133
800
C00637
4.597
-
3-IndoleaceticAcid
Indoleacetic acid
ME648923
802
C00954
1.1343659
-
3-(3-Indolyl)-2-oxopropanoicacid
Indolepyruvate
ME648909
803
C00331
5.8040547
-
Methylglyoxal
Pyruvaldehyde
ME649174
880
C00546
2.5891871
-
Methylglyoxal+2.6626153
Pyruvaldehyde
ME649175
880
C00546
2.6626153
-
myo-Inositol
Myo-inositol
ME649178
892
C00137
2.8289764
-
N-Acetylarylamine
N-Acetylarylamine
ME649188
904
C02558
5.805092
-
Niacinamide
Niacinamide
ME649199
936
C00153
1.6075301
-
p-Aminobenzoicacid
p-Aminobenzoic acid
ME649211
978
C00568
6.6832967
-
PantothenicAcid
Pantothenic acid
ME649212
988
C00864
2.489793
-
Purine
Purine
ME649237
1044
C00465
0.93584925
-
Purine+0.8148545
Purine
ME649238
1044
C00465
0.8148545
-
Purine+1.0468682
Purine
ME649239
1044
C00465
1.0468682
-
Pyridoxamine
Pyridoxamine
ME649242
1052
C00534
1.5771261
-
Taurine
Taurine
ME649254
1123
C00245
5.2419195
-
Trimethylamine
Trimethylamine
ME649268
1146
C00565
5.747294
-
Uracil
Uracil
ME649287
1174
C00106
1.6182606
-
Uricacid
Uric acid
ME649290
1175
C00366
3.4792967
-
Urea
Urea
ME649288
1176
C00086
2.0711994
-
Urea+5.482235
Urea
ME649289
1176
C00086
5.482235
-
D-1-Piperideine-2-carboxylicacid
D-1-Piperideine-2-carboxylic acid
ME649054
1194
C01258
5.7138333
-
6-Formylindolo[3,2-B]carbazole
6-Formylindolo[3,2-B]carbazole
ME648968
1863
-
5.4170127
-
ACECLIDINE
Aceclidine
ME648984
1979
D02750
1.437087
-
ARECOLINE
Arecoline
ME649004
2230
C10129
1.4790455
-
Benserazide
Benserazide
ME649010
2327
-
3.4307697
-
Caffeine
Caffeine
ME649030
2519
C07481
1.2804737
-
carisoprodol
Carisoprodol
ME649034
2576
C07927
9.393912
-
Chlorambucil
Chlorambucil
ME649037
2708
C06900
2.0512083
-
ciclopirox
Ciclopirox
ME649040
2749
-
1.5472832
-
cyclandelate
Cyclandelate
ME649045
2893
-
10.888737
-
6-methyltetrahydropterin
6-Methyltetrahydropterin
ME648969
3124
-
2.0724773
-
Ethosuximide
Ethosuximide
ME649095
3291
C07505
4.786851
-
Gabapentin
Gabapentin
ME649099
3446
C07018
7.0416536
-
Glutaral(Glutaraldehyde)
Glutaral
ME649106
3485
C12518
1.1461207
-
Glutaral(Glutaraldehyde)+6.687109
Glutaral
ME649107
3485
C12518
6.687109
-
INDOLE-3-CARBINOL
Indole-3-carbinol
ME649129
3712
-
0.78765756
-
3-Indolepropionicacid
3-Indolepropionic acid
ME648924
3744
-
1.1146102
-
Isoniazid
Isoniazid
ME649142
3767
C07054
1.2840452
-
Mazindol
Mazindol
ME649171
4020
-
2.0525434
-
Ubiquinone
-
ME649285
4462
C00399
1.3740152
-
Ubiquinone+1.1367501
-
ME649286
4462
C00399
1.1367501
-
Nevirapine
Nevirapine
ME649195
4463
C07263
1.500935
-
5-NITRO-2-PHENYLPROPYLAMINOBENZOICACID[NPPB]
NPPB
ME648958
4549
C13705
1.1544144
-
5-NITRO-2-PHENYLPROPYLAMINOBENZOICACID[NPPB]+1.813...
NPPB
ME648959
4549
C13705
1.8134243
-
5-NITRO-2-PHENYLPROPYLAMINOBENZOICACID[NPPB]+2.088...
NPPB
ME648960
4549
C13705
2.088407
-
Quinone
Quinone
ME649247
4650
C00472
2.6441548
-
N-(2-hydroxyethyl)palmitamide
Palmitoyl-EA
ME649179
4671
C16512
1.1796081
-
Phenacetine
Phenacetin
ME649218
4754
C07591
5.9942465
-
Propofol
Propofol
ME649234
4943
C07523
1.0510482
-
PROPOXUR
Propoxur
ME649235
4944
C14334
1.3579435
-
4,6-dioxoheptanoicacid
Succinylacetone
ME648931
5312
-
6.9250965
-
Sulfaquinoxaline
Sulfaquinoxaline
ME649253
5338
-
2.791187
-
Theobromine
Theobromine
ME649259
5429
C07480
1.3522629
-
Theobromine+1.4370109
Theobromine
ME649260
5429
C07480
1.4370109
-
Vigabatrin
Vigabatrin
ME649301
5665
C07500
5.8849573
-
Vigabatrin+6.2900124
Vigabatrin
ME649302
5665
C07500
6.2900124
-
D-Glucose
Glucose
ME649057
5793
C00031
2.7702193
-
D-Glucose+2.9642036
Glucose
ME649058
5793
C00031
2.9642036
-
o-Hydroxyaniline
2-Aminophenol
ME649207
5801
C01987
6.0257587
-
Uridine
Uridine
ME649291
6029
C00299
2.1524785
-
Leucine
Leucine
ME649154
6106
C00123
1.5686128
-
Leucine+4.3551145
Leucine
ME649155
6106
C00123
4.3551145
-
Leucine+5.7213707
Leucine
ME649156
6106
C00123
5.7213707
-
Leucine+6.7406497
Leucine
ME649157
6106
C00123
6.7406497
-
Aniline
Aniline
ME649001
6115
C00292
5.5220013
-
Aniline+5.6175404
Aniline
ME649002
6115
C00292
5.6175404
-
Carbaryl
Carbaryl
ME649033
6129
C07491
1.3630971
-
Methionine
Methionine
ME649173
6137
C00073
3.297522
-
Valine
Valine
ME649297
6287
C00183
5.996155
-
Valine+6.60313
Valine
ME649298
6287
C00183
6.60313
-
Isoleucine
Isoleucine
ME649141
6306
C00407
5.802
-
Arginine
Arginine
ME649005
6322
C00062
8.3382635
-
4-Pyridoxicacid
4-Pyridoxic acid
ME648948
6723
C00847
2.7232323
-
4-Pyridoxicacid+2.8116002
4-Pyridoxic acid
ME648949
6723
C00847
2.8116002
-
Pyroglutamicacid
Pyroglutamic acid
ME649243
7405
C01879
5.1699767
-
Pyroglutamicacid+5.8255005
Pyroglutamic acid
ME649244
7405
C01879
5.8255005
-
Pyroglutamicacid+6.828353
Pyroglutamic acid
ME649245
7405
C01879
6.828353
-
Terephthalicacid
Terephthalic acid
ME649257
7489
C06337
1.0161121
-
Phenylmethylmethylketone
Phenylacetone
ME649220
7678
C15512
1.1021867
-
epsilon-Caprolactam
Epsilon-caprolactam
ME649088
7768
C06593
1.40922
-
epsilon-Caprolactam+6.1013503
Epsilon-caprolactam
ME649089
7768
C06593
6.1013503
-
epsilon-Caprolactam+6.236251
Epsilon-caprolactam
ME649090
7768
C06593
6.236251
-
Tetrahydrofuran
Tetrahydrofuran
ME649258
8028
-
1.2101412
-
Diethanolamine
Diethanolamine
ME649063
8113
C06772
5.2370005
-
Diethanolamine+5.527126
Diethanolamine
ME649064
8113
C06772
5.527126
-
Diethanolamine+5.649868
Diethanolamine
ME649065
8113
C06772
5.649868
-
Diethanolamine+5.8253593
Diethanolamine
ME649066
8113
C06772
5.8253593
-
Diethanolamine+6.332912
Diethanolamine
ME649067
8113
C06772
6.332912
-
Diethanolamine+6.525427
Diethanolamine
ME649068
8113
C06772
6.525427
-
Diethanolamine+6.6559505
Diethanolamine
ME649069
8113
C06772
6.6559505
-
Erythromycin
Erythromycin
ME649092
8233
C08031
6.4870644
-
n-HexanoicAcid
Caproic acid
ME649197
8892
C01585
1.230315
-
1-Hexadecylamine
1-Hexadecylamine
ME648861
8926
-
2.645276
-
1-Hexadecylamine+3.6542141
1-Hexadecylamine
ME648862
8926
-
3.6542141
-
Salicyluricacid
Salicyluric acid
ME649249
10253
C07588
2.1221669
-
Indole-3-ethanol
Tryptophanol
ME649130
10685
C00955
5.038
-
Indole-3-ethanol+5.1084623
Tryptophanol
ME649131
10685
C00955
5.1084623
-
Indole-3-ethanol+6.418022
Tryptophanol
ME649132
10685
C00955
6.418022
-
Hydroxyhydroquinone
1,2,4-Trihydroxybenzene
ME649124
10787
C02814
2.5737567
-
Hydroxyhydroquinone+2.737934
1,2,4-Trihydroxybenzene
ME649125
10787
C02814
2.737934
-
Naphazoline
Naphazoline
ME649192
11079
-
4.134547
-
Formestane
Formestane
ME649098
11273
-
6.5882998
-
3-Aminoquinoline
3-Aminoquinoline
ME648918
11375
-
1.6264418
-
2-Pyrrolidinone
2-Pyrrolidinone
ME648901
12025
C11118
1.5879394
-
2-Pyrrolidinone+2.0697286
2-Pyrrolidinone
ME648902
12025
C11118
2.0697286
-
2-Pyrrolidinone+2.8319786
2-Pyrrolidinone
ME648903
12025
C11118
2.8319786
-
2-Pyrrolidinone+3.2970328
2-Pyrrolidinone
ME648904
12025
C11118
3.2970328
-
2-Pyrrolidinone+3.786596
2-Pyrrolidinone
ME648905
12025
C11118
3.786596
-
Homoserine
Homoserine
ME649123
12647
C00263
3.6562924
-
Estradiolvalerate
Estradiol valerate
ME649093
13791
C12859
5.079062
-
Azatadine
Azatadine
ME649009
19861
C07774
1.1289248
-
PhthalicacidMono-2-ethylhexylEster
Monoethylhexyl phthalic acid
ME649221
20393
C03343
1.0278387
-
Phenylethylmalonamide(PEMA)
Phenylethylmalonamide
ME649219
23611
C07499
2.8969805
-
ANCITABINE
Ancitabine
ME649000
25051
-
3.376438
-
Glucoheptonicacid
Glucoheptonic acid
ME649102
25588
-
5.489075
-
1-Methyladenosine
1-Methyladenosine
ME648864
27476
C02494
6.059154
-
N-(2-hydroxyethyl)stearamide
Stearoyl-EA
ME649180
27902
-
1.1668111
-
Nadolol
Nadolol
ME649190
39147
C07249
6.140817
-
Acipimox
Acipimox
ME648992
39880
-
2.1532722
-
Mefloquine
Mefloquine
ME649172
40692
C07633
5.7998233
-
Pergolide
Pergolide
ME649216
47811
C07425
1.0905815
-
Pinacidil
Pindac
ME649224
55329
C13729
1.3926458
-
cis-11-Hexadecenal
cis-11-Hexadecenal
ME649041
62073
-
1.0808717
-
n-methylnicotinamide
N-Methylnicotinamide
ME649202
64950
-
1.3033913
-
n-methylnicotinamide+6.0330334
N-Methylnicotinamide
ME649203
64950
-
6.0330334
-
N(pai)-Methyl-L-histidine
3-Methylhistidine
ME649181
64969
C01152
3.6464064
-
1-Methylinosine
1-Methylinosine
ME648867
65095
-
2.4217954
-
DL-2-Aminooctanoicacid
2-Aminocaprylic acid
ME649080
69522
-
6.686406
-
DL-2-Aminooctanoicacid+6.14302
2-Aminocaprylic acid
ME649081
69522
-
6.14302
-
DL-2-Aminooctanoicacid+6.892978
2-Aminocaprylic acid
ME649082
69522
-
6.892978
-
1-Methyluricacid
1-Methyluric acid
ME648869
69726
C16359
2.2867913
-
1-Methylguanine
1-Methylguanine
ME648865
70315
C04152
3.7436695
-
1,4-Methylimidazoleaceticacid
Methylimidazoleacetic acid
ME648833
75810
C05828
7.3354774
-
5-(hydroxymethyl)-2-Furancarboxylicacid
Sumiki's acid
ME648952
80642
-
5.270854
-
5-(hydroxymethyl)-2-Furancarboxylicacid+5.6119556
Sumiki's acid
ME648953
80642
-
5.6119556
-
5-(hydroxymethyl)-2-Furancarboxylicacid+5.7976537
Sumiki's acid
ME648954
80642
-
5.7976537
-
Capryloylglycine
Capryloylglycine
ME649032
84290
-
2.2937582
-
Isopentenyladenine
N6-Isopentenyladenine
ME649143
92180
C04083
7.1859117
-
N2,N2-Dimethylguanosine
N2,N2-Dimethylguanosine
ME649186
92919
-
3.3803513
-
1-Methylguanosine
1-Methylguanosine
ME648866
96373
C04545
3.0870566
-
Lacticacid
Lactic acid
ME649153
107689
C00186
2.658787
-
alpha-Hydroxymetoprolol
alpha-Hydroxymetoprolol
ME648997
114962
-
6.351831
-
Trihydroxycoprostanoicacid
Trihydroxycoprostanoic acid
ME649267
122166
-
1.1373332
-
Asymmetricdimethylarginine
Dimethylarginine
ME649008
123831
C03626
8.575597
-
9-amino-nonanoicacid
9-Aminononanoic acid
ME648978
136877
-
4.4826794
-
Proline
Proline
ME649229
145742
C00148
6.302441
-
Proline+1.2899779
Proline
ME649230
145742
C00148
1.2899779
-
sn-1,2-Dioctanoylglycerol
DG 8:0_8:0
ME649251
148879
-
1.1093875
-
5-(3,4-Dihydroxy-1,5-cyclohexadien-1-yl)-5-phenylh...
5-(3,4-Dihydroxy-1,5-cyclohexadien-1-yl)-5-phenylhydantoin
ME648951
152954
-
5.1698422
-
12beta-Hydroxy-3-oxo-5beta-cholan-24-oicAcid
12beta-Hydroxy-3-oxo-5beta-cholan-24-oic acid
ME648839
154474
-
0.8925333
-
12beta-Hydroxy-3-oxo-5beta-cholan-24-oicAcid+1.006...
12beta-Hydroxy-3-oxo-5beta-cholan-24-oic acid
ME648840
154474
-
1.0063637
-
12beta-Hydroxy-3-oxo-5beta-cholan-24-oicAcid+1.175...
12beta-Hydroxy-3-oxo-5beta-cholan-24-oic acid
ME648841
154474
-
1.175578
-
5-Acetyl-4-methylthiazole
5-Acetyl-4-methylthiazole
ME648955
162292
-
1.5092238
-
D-Biotin
Biotin
ME649055
171548
C00120
3.3401358
-
7-Aminoclonazepam
7-Aminoclonazepam
ME648972
188298
-
2.0522072
-
Leupeptin
Leupeptin
ME649158
189069
-
1.1844426
-
N-Acetylcadaverine
N-Acetylcadaverine
ME649189
189087
-
6.259892
-
2-Hydroxyadipicacid
2-Hydroxyadipic acid
ME648890
193530
C02360
2.5044005
-
2-Hydroxyadipicacid+2.0358596
2-Hydroxyadipic acid
ME648891
193530
C02360
2.0358596
-
2-Hydroxyadipicacid+2.74419
2-Hydroxyadipic acid
ME648892
193530
C02360
2.74419
-
2-Methylbutyrylglycine
2-Methylbutyrylglycine
ME648895
193872
-
1.8581738
-
2-Methylbutyrylglycine+2.0774822
2-Methylbutyrylglycine
ME648896
193872
-
2.0774822
-
2-Methylbutyrylglycine+3.1958613
2-Methylbutyrylglycine
ME648897
193872
-
3.1958613
-
2-Methylbutyrylglycine+6.5558777
2-Methylbutyrylglycine
ME648898
193872
-
6.5558777
-
2-Octenedioicacid
2-Octenedioic acid
ME648899
225490
-
6.7032104
-
3-Nitrotyrosine
Nitrotyrosine
ME648926
235719
-
2.153043
-
ANISOMYCIN
Anisomycin
ME649003
253602
C11281
6.507025
-
AlaLeu
Ala-Leu
ME648995
259583
-
7.0862947
-
12-oxo-9-octadecynoicacid
12-Oxo-9-octadecynoic acid
ME648843
349300
-
1.066978
-
5-Methylthioribose
5-Methylthioribose
ME648957
439904
C03089
2.807837
-
GuanidinosuccinicAcid
Guanidinosuccinic acid
ME649118
439918
C03139
5.7202754
-
GuanidinosuccinicAcid+5.802178
Guanidinosuccinic acid
ME649119
439918
C03139
5.802178
-
D-Leucicacid
D-Leucic acid
ME649083
439960
C03264
1.6320212
-
D-Leucicacid+1.7741078
D-Leucic acid
ME649084
439960
C03264
1.7741078
-
N,N-dimethylhistidine
N,N-Dimethylhistidine
ME649182
440274
C04259
4.697116
-
Netilmicin
Netilmicin
ME649194
441306
C07657
4.1313305
-
Glucosamine
Glucosamine
ME649103
441477
C00329
2.558658
-
Glucosamine+2.7338603
Glucosamine
ME649104
441477
C00329
2.7338603
-
Ecgonine
Ecgonine
ME649085
443003
C10858
6.5745387
-
p-Coumaricacid
cis-p-Coumaric acid
ME649214
637542
C00811
5.805054
-
ISOSAFROLE
Isosafrole
ME649146
637796
C10472
1.0673951
-
ISOSAFROLE+1.0978807
Isosafrole
ME649147
637796
C10472
1.0978807
-
p-HYDROXYCINNAMALDEHYDE
(E)-3-(4-Hydroxyphenyl)-2-propenal
ME649223
641301
C05608
5.610446
-
beta-vinylacrylicacid
beta-Vinyl acrylic acid
ME649013
642034
-
2.6169531
-
Buprenorphine
Buprenorphine
ME649025
644073
C08007
6.5938244
-
Buprenorphine+6.5073805
Buprenorphine
ME649026
644073
C08007
6.5073805
-
9-chloro-10-hydroxy-hexadecanoicacid
9-Chloro-10-hydroxyhexadecanoic acid
ME648979
656826
C13949
1.2078001
-
9-chloro-10-hydroxy-hexadecanoicacid+1.4075756
9-Chloro-10-hydroxyhexadecanoic acid
ME648980
656826
C13949
1.4075756
-
Tiamulin
Tiamulin
ME649261
656958
C12065
6.4403963
-
Tiamulin+6.5371113
Tiamulin
ME649262
656958
C12065
6.5371113
-
3,4,5-Trimethoxycinnamicacid
3,4,5-Trimethoxycinnamic acid
ME648912
735755
-
1.5375124
-
Urocanicacid
Urocanic acid
ME649292
736715
C00785
1.672989
-
Urocanicacid+2.856702
Urocanic acid
ME649293
736715
C00785
2.856702
-
Estronesulfate
Estrone 3-sulfate
ME649094
3001028
C02538
2.0164473
-
12-Ketodeoxycholicacid
12-Ketolithocholic acid
ME648842
3080612
-
1.0903387
-
S-Methylpenicillamine
S-Methylpenicillamine
ME649250
3082390
-
3.968599
-
1-hexadecanoyl-sn-glycerol
MG 16:0/0:0/0:0
ME648859
3084463
-
1.0808929
-
C17Sphinganine
C17 Sphinganine
ME649028
3247037
-
4.0602555
-
KOBUSONE
Kobusone
ME649149
3440569
-
1.0685999
-
3-Amino-2-piperidone
3-Amino-2-piperidone
ME648917
5200225
-
5.827565
-
Bilirubin
Bilirubin
ME649014
5280352
C00486
1.1329374
-
Bilirubin+3.949239
Bilirubin
ME649015
5280352
C00486
3.949239
-
BiliverdinIX
Biliverdin
ME649016
5280353
C00500
1.1864623
-
BiliverdinIX+1.4045436
Biliverdin
ME649017
5280353
C00500
1.4045436
-
BiliverdinIX+1.4682751
Biliverdin
ME649018
5280353
C00500
1.4682751
-
BiliverdinIX+1.6236403
Biliverdin
ME649019
5280353
C00500
1.6236403
-
BiliverdinIX+2.0339859
Biliverdin
ME649020
5280353
C00500
2.0339859
-
BiliverdinIX+3.9496963
Biliverdin
ME649021
5280353
C00500
3.9496963
-
2-Methyl-5-isopropylhexa-2Z,5-dienal
2-Methyl-5-isopropylhexa-2Z,5-dienal
ME648894
5280680
C04435
1.0550998
-
L-Urobilin
L-Urobilin
ME649168
5280818
C05793
1.4634181
-
HARMINE
Harmine
ME649120
5280953
C06538
1.7638779
-
2-Oxo-4E-hexenoicacid
2-Oxo-4E-hexenoic acid
ME648900
5280996
C06761
2.0363421
-
OphiobolinA
Ophiobolin A
ME649209
5281387
C09145
5.376852
-
3-tert-butyl-3-butenoicacid
3-tert-Butyl-3-butenoic acid
ME648929
5282665
-
1.0832257
-
2-decylenicacid
2-Decenoic acid
ME648887
5282724
-
1.0459135
-
9-lauroleicacid
9-Dodecenoic acid
ME648982
5282733
-
1.0400001
-
6,9,12-hexadecatrienoicacid
6,9,12-hexadecatrienoic acid
ME648964
5282811
-
1.0639892
-
10,12,15-octadecatrienoicacid
10,12,15-Octadecatrienoic acid
ME648834
5282824
-
1.0556668
-
4,8,12,15,19,21-tetracosahexaenoicacid
4,8,12,15,19,21-Tetracosahexaenoic acid
ME648934
5282851
-
1.1945221
-
16-hydroperoxy-9Z,12,14E-octadecatrienoicacid
16-HpOTrE
ME648848
5282867
-
1.1254731
-
7,8-dihydroxystearicacid
7,8-Dihydroxy stearic acid
ME648971
5282928
-
1.0591278
-
9-hydroxy-12-oxo-10-octadecenoicacid
9-Hydroxy-12-oxo-10-octadecenoic acid
ME648981
5282968
-
1.1443454
-
8-methoxy-13-hydroxy-9,11-octadecadienoicacid
8-Methoxy-13-hydroxy-9,11-octadecadienoic acid
ME648976
5283022
-
1.1081955
-
Traumaticacid
Traumatic acid
ME649266
5283028
C16308
1.0818081
-
PGF2alphaisopropylester
PGF2alpha isopropyl ester
ME649217
5283077
-
1.1288795
-
(+/-)14,15-EpETrE
14,15-EpETrE
ME648807
5283205
C14771
1.1014147
-
14-methyl-1-hexadecanol
14-Methyl-1-hexadecanol
ME648847
5283264
-
6.6018653
-
3E,13Z-octadecadien-1-ol
3E,13Z-Octadecadien-1-ol
ME648921
5283297
-
1.070258
-
3,6,8-dodecatrien-1-ol
3,6,8-Dodecatrien-1-ol
ME648914
5283307
-
1.040966
-
2,4-octadienal
(E,E)-2,4-Octadienal
ME648873
5283329
-
1.063317
-
2-tridecene-4,7-diynal
2-Tridecene-4,7-diynal
ME648908
5283365
-
2.1115332
-
6,8,10,12-pentadecatetraenal
6,8,10,12-Pentadecatetraenal
ME648963
5283373
-
8.132538
-
N'-5Z,8Z,11Z,14Z-eicosatetraenoyl-N''-diethyl-ethy...
-
ME649187
5283407
-
1.0965627
-
N-propyl-16,16-dimethyl-5Z,8Z,11Z,14Z-docosatetrae...
-
ME649206
5283428
-
1.1980872
-
Anandamide(20:2,n-6)
Eicosadienoyl-EA
ME648999
5283444
-
1.1215
-
1-(9Z,12Z-octadecadienoyl)-rac-glycerol
MG 18:2
ME648828
5283469
-
1.0918388
-
1-heptadecanoyl,2-(5Z,8Z,11Z,14Z-eicosatetraenoyl)...
-
ME648858
5283493
-
5.0849004
-
1-heneicosanoyl-2-(4Z,7Z,10Z,13Z,16Z,19Z-docosahex...
-
ME648857
5283494
-
5.0013165
-
1-O-(1Z-hexadecenyl)-2-(4Z,7Z,10Z,13Z,16Z,19Z-doco...
-
ME648870
5283497
-
4.384012
-
stigmasta-7,22E,25-trien-3beta-ol
Stigmasta-7,22E,25-trien-3beta-ol
ME649252
5283656
-
1.0525439
-
campesta-5,22E-dien-3beta-ol
24-epi-Brassicasterol
ME649031
5283660
C08813
1.0656513
-
1alpha,25-dihydroxy-24-oxovitaminD_3/1alpha,25-dih...
1alpha,25-Dihydroxy-24-oxovitamin D3
ME648852
5283703
-
1.1451617
-
1alpha,18-dihydroxyvitaminD_3/1alpha,18-dihydroxyc...
-
ME648849
5283733
-
1.0927311
-
7,12-Dioxo-5beta-cholan-24-oicAcid
7,12-Dioxo-5beta-cholan-24-oic acid
ME648970
5283916
-
1.0698233
-
3alpha,12alpha,25-trihydroxy-5beta-cholestan-7-one
3alpha,12alpha,25-Trihydroxy-5beta-cholestan-7-one
ME648916
5284204
-
1.073195
-
Nalorphine
Nalorphine
ME649191
5284595
C11787
1.0984021
-
2,5-decadienoicacid
2,5-Decadienoic acid
ME648874
5312353
-
1.0819322
-
3E,5E-tridecadienoicacid
3E,5E-Tridecadienoic acid
ME648922
5312396
-
1.1855154
-
5Z,8Z-tetradecadienoicacid
5,8-Tetradecadienoic acid
ME648962
5312409
-
1.0644196
-
12Z,15Z-octadecadienoicacid
12Z,15Z-Octadecadienoic acid
ME648844
5312453
-
1.0553014
-
3-dodecynoicacid
3-Dodecynoic acid
ME648920
5312606
-
1.0525545
-
4-dodecynoicacid
4-Dodecynoic acid
ME648941
5312607
-
1.1956495
-
3,6-octadecadiynoicacid
3,6-Octadecadiynoic acid
ME648915
5312645
-
1.0777537
-
4-undecynoicacid
4-Undecynoic acid
ME648950
5312731
-
1.2068238
-
3R-hydroxy-5Z-dodecenoicacid
3R-Hydroxy-5Z-dodecenoic acid
ME648928
5312807
-
1.0842729
-
9R-hydroxy-10E-octadecenoicacid
9R-HOME(10E)
ME648983
5312845
-
1.05346
-
20-oxo-heneicosanoicacid
20-Oxoheneicosanoic acid
ME648875
5312924
-
1.0688146
-
5-oxo-7-octenoicacid
5-Oxo-7-octenoic acid
ME648961
5312943
-
1.2262174
-
1-(11E-octadecenoyl)-rac-glycerol
MG 18:1
ME648823
5319879
-
1.1173187
-
Norcodeine
Norcodeine
ME649204
5359402
-
1.1208724
-
GlcAbeta-Cer(d18:1/18:0)
GlcAbeta-Cer 18:1;O2/18:0
ME649100
5771776
-
5.0597196
-
12-amino-dodecanoicacid
12-Aminododecanoic acid
ME648838
6102805
-
1.2085509
-
2-Hydroxyiminodibenzyl
2-Hydroxyiminodibenzyl
ME648893
6427991
-
2.4213085
-
Normeperidinicacid
Normeperidinicacid
ME649205
7057944
-
6.1153264
-
4,7,10,13-hexadecatetraenoicacid
4,7,10,13-Hexadecatetraenoic acid
ME648933
9543611
-
1.1237208
-
1-(9Z-hexadecenoyl)-2-(9Z,12Z-heptadecadienoyl)-sn...
DG 16:1_17:2
ME648829
9543687
-
1.0555121
-
1-(9Z,12Z-heptadecadienoyl)-2-(5Z,8Z,11Z,14Z,17Z-e...
-
ME648827
9543777
-
1.0735849
-
1,2-di-(9Z-hexadecenoyl)-3-(9Z,12Z-heptadecadienoy...
TG 17:2_18:1_18:1
ME648830
9544003
-
5.918354
-
Ins-1-P-Cer(d18:1/22:0)
IPC 18:1;O2/22:0
ME649138
9547204
-
5.0241036
-
1alpha,25-dihydroxy-3-deoxy-3-thiavitaminD3/1alpha...
-
ME648854
9547300
-
1.1358331
-
(24S)-1alpha,24-dihydroxy-22-oxa-20-epivitaminD3/(...
-
ME648816
9547314
-
1.0748647
-
(23R,25R)-1alpha,25-dihydroxyvitaminD326,23-lacton...
-
ME648815
9547368
-
5.698626
-
(23R)-1alpha,23,25-trihydroxy-24-oxovitaminD3/(23R...
-
ME648814
9547405
-
1.1769531
-
(10E)-19-fluorovitaminD3/(10E)-19-fluorocholecalci...
-
ME648808
9547410
-
1.1113684
-
25-hydroxy-26,27-dimethylvitaminD3/25-hydroxy-26,2...
25-Hydroxy-26,27-dimethylvitamin D3
ME648877
9547523
-
1.0220449
-
(22R)-1alpha,22,25-trihydroxy-26,27-dimethyl-23,24...
-
ME648812
9547559
-
1.147525
-
(22R)-1alpha,22,25-trihydroxy-26,27-dimethyl-23,24...
-
ME648813
9547559
-
1.1406572
-
1beta,25-dihydroxy-2beta-(3-hydroxypropoxy)vitamin...
-
ME648856
9547582
-
1.0867635
-
1alpha,25-dihydroxy-22-oxavitaminD33-hemiglutarate...
-
ME648851
9547596
-
6.1873183
-
(22E,24E)-1alpha,25-dihydroxy-26,27-diethyl-22,23,...
-
ME648811
9547617
-
1.1324631
-
1alpha,25-dihydroxy-2beta-(5-hydroxypentoxy)vitami...
-
ME648853
9547631
-
1.0716765
-
1alpha,25-dihydroxy-11beta-phenylvitaminD3/1alpha,...
-
ME648850
9547633
-
1.1471081
-
(20R)-1alpha,25-dihydroxy-20-phenyl-16,17-didehydr...
-
ME648810
9547680
-
1.1244284
-
1alpha-hydroxy-18-[m-(1-hydroxy-1-ethylpropyl)-ben...
-
ME648855
9547685
-
1.1388863
-
Glc-GP(18:0/20:4(5Z,8Z,11Z,14Z))
-
ME649101
9776846
-
4.3539104
-
2-Ethylisonicotinicacid
2-Ethylisonicotinicacid
ME648889
10125075
-
0.7490423
-
6-[3]-ladderane-1-hexanol
6-[3]-Ladderane-1-hexanol
ME648965
10244470
-
1.0599346
-
N-arachidonoylD-serine
N-Arachidonoyl D-serine
ME649193
10548500
-
5.6135354
-
1-Methylpiperazine
1-Methylpiperazine
ME648868
11170923
-
3.4210293
-
Pyridine
Pyridine
ME649241
12196969
C00747
1.2703334
-
Glycoursodeoxycholicacid
Glycoursodeoxycholic acid
ME649108
12310288
-
4.769728
-
Dihydroxylycopene/OH-Rhodopin
Dihydroxylycopene
ME649072
14502754
-
0.97793657
-
Indoleacrylicacid
Indoleacrylic acid
ME649134
15030923
C00331
5.433206
-
Indoleacrylicacid+5.4790144
Indoleacrylic acid
ME649135
15030923
C00331
5.4790144
-
Indoleacrylicacid+5.505976
Indoleacrylic acid
ME649136
15030923
C00331
5.505976
-
Indoleacrylicacid+5.610031
Indoleacrylic acid
ME649137
15030923
C00331
5.610031
-
6alpha-Hydroxycastasterone
6alpha-Hydroxycastasterone
ME648966
15542699
-
1.0590609
-
6alpha-Hydroxycastasterone+1.0918373
6alpha-Hydroxycastasterone
ME648967
15542699
-
1.0918373
-
Parasiloxanthin/7,8-Dihydrozeaxanthin
7,8-Dihydrozeaxanthin
ME649213
16061229
-
1.0547636
-
Loroxanthinester/Loroxanthindodecenoate
Loroxanthin dodecenoate
ME649167
16061272
-
5.119093
-
3,4-Dihydrospirilloxanthin
3,4-Dihydrospirilloxanthin
ME648913
16061284
-
1.0482203
-
Fexofenadine
Fexofenadine
ME649097
16417045
C06999
5.351806
-
1-Hexadecyl-2-arachidonoyl-glycerol
PC O-16:0/20:4
ME648860
16759358
-
4.4339747
-
1-(8-[3]-ladderane-octanoyl)-2-(8-[3]-ladderane-oc...
-
ME648826
24779540
-
4.3624473
-
3-DeoxyvitaminD3
3-Deoxyvitamin D3
ME648919
24779628
-
0.9180716
-
25-Hydroxy[26,27-methyl]vitaminD33beta-(1,2-epoxyp...
25-Hydroxy[26,27-methyl]vitamin D3 3beta-(1,2-epoxypropyl)ether
ME648876
24779631
-
1.0998793
-
1-HydroxyvitaminD33-D-glucopyranoside
1-Hydroxyvitamin D3 3-D-glucopyranoside
ME648863
24779645
-
6.404495
-
Amiloride
Amiloride
ME648998
24906311
C06821
1.511171
-
8-Amino-7-oxononanoate
8-Amino-7-oxononanoic acid
ME648973
25244029
C01092
1.4514564
-
8-Amino-7-oxononanoate+7.294702
8-Amino-7-oxononanoic acid
ME648974
25244029
C01092
7.294702
-
MYCOPHENOLICACID
Mycophenolic acid
ME649177
49849463
-
5.552565
-
11-deoxy-PGE2
11-Deoxy-PGE2
ME648837
53394165
-
1.1569245
-
pentanamide
Pentanamide
ME649215
53630576
C01842
7.511506
-
Isoquinoline
Isoquinoline
ME649144
57417613
C06323
1.1286854
-
Pyrazinoicacid
Pyrazine-2-carboxylic ccid
ME649240
57429767
-
2.1526847
-
Rimiterol
-
ME649248
70685132
-
2.2859547
-
14-hydroxy-12-tetradecenoicacid
14-Hydroxy-12-tetradecenoic acid
ME648846
71334318
-
1.0735054
-
10-hydroxy-2E,8E-Decadiene-4,6-diynoicacid
-
ME648835
-
-
1.1528398
-
10-hydroxy-2E,8E-Decadiene-4,6-diynoicacid+1.20595...
-
ME648836
-
-
1.2059581
-
1,2-Didecanoyl-glycerol(10:0)
-
ME648831
-
-
1.0704348
-
1-(2-Pyrimidyl)piperazine
1-(2-Pyrimidyl)piperazine
ME648824
-
-
4.815694
-
1-(2-Pyrimidyl)piperazine+5.2760143
1-(2-Pyrimidyl)piperazine
ME648825
-
-
5.2760143
-
1,3-DIPROPYL-8-CYCLOPENTYLXANTHINE[DPCPX]
-
ME648832
-
-
5.410817
-
13S-hydroxy-9E,11Z-octadecadienoicacid
-
ME648845
-
-
1.0632938
-
1-octadecanoyl-rac-glycerol
MG 18:0
ME648871
-
-
1.0704623
-
1-Phenyl-2-(diethylamino)-1-propanol
-
ME648872
-
-
1.1024413
-
(1S,2S)-3-oxo-2-pentyl-cyclopentanebutanoicacid
(1S,2S)-3-Oxo-2-pentyl-cyclopentanebutanoic acid
ME648809
-
-
1.0772803
-
(24S)-1alpha,24-dihydroxy-22-oxavitaminD3/(24S)-1a...
-
ME648817
-
-
0.92606527
-
2-Amino-2-methyl-1-propanol
-
ME648878
-
-
1.5630761
-
2-Amino-2-methyl-1-propanol+4.6926875
-
ME648879
-
-
4.6926875
-
2-Amino-2-methyl-1-propanol+5.1998544
-
ME648880
-
-
5.1998544
-
2-Amino-2-methyl-1-propanol+5.3564744
-
ME648881
-
-
5.3564744
-
2-Amino-2-methyl-1-propanol+5.645574
-
ME648882
-
-
5.645574
-
2-Amino-3-methyl-1-butanol
-
ME648883
-
-
5.751033
-
2-Amino-3-methyl-1-butanol+6.472044
-
ME648884
-
-
6.472044
-
2-Aminopropanol
2-Aminopropanol
ME648885
-
-
1.7960457
-
2-Aminopropanol+6.3286147
2-Aminopropanol
ME648886
-
-
6.3286147
-
2-docosanamidoethanesulfonicacid
-
ME648888
-
-
5.293774
-
2R-aminoheptanoicacid
2R-Aminoheptanoic acid
ME648906
-
-
7.193232
-
2R-aminoheptanoicacid+6.352442
2R-Aminoheptanoic acid
ME648907
-
-
6.352442
-
3,3,45-Tetrahydroxystilbene
-
ME648910
-
-
1.6182361
-
3,3,45-Tetrahydroxystilbene+3.5932326
-
ME648911
-
-
3.5932326
-
(3-Methoxy-4-hydroxyphenyl)ethyleneglycolsulfate
3-Methoxy-4-hydroxyphenylethyleneglycol sulfate
ME648818
-
-
5.5069423
-
3'-Methoxy-E,E-dienoestrol
-
ME648925
-
-
2.1195443
-
3-oxo-4-pentenoicacid
3-Oxo-4-pentenoic acid
ME648927
-
-
2.561609
-
4,7,10,13,16-docosapentaenoicacid
4,7,10,13,16-Docosapentaenoic acid
ME648932
-
-
0.8921706
-
4-Hydroxybenzylcyanide
4-Hydroxybenzeneacetonitrile
ME648942
-
-
0.7902259
-
4-Hydroxybenzylcyanide+6.59952
4-Hydroxybenzeneacetonitrile
ME648943
-
-
6.59952
-
4-Hydroxybenzylcyanide+6.609466
4-Hydroxybenzeneacetonitrile
ME648944
-
-
6.609466
-
4-Hydroxypyridine
4-Pyridone
ME648945
-
-
0.8238916
-
4-Hydroxypyridine+1.305617
4-Pyridone
ME648946
-
-
1.305617
-
4-Hydroxypyridine+3.056915
4-Pyridone
ME648947
-
-
3.056915
-
5-Ethyl-5-(1-methyl-3-carboxypropyl)barbituricacid
-
ME648956
-
-
3.0417173
-
8-Hydroxypromazine
-
ME648975
-
-
3.0157893
-
8R-hydroxy-9Z-octadecenoicacid
-
ME648977
-
-
1.1003395
-
AGELASINE
-
ME648994
-
-
5.416588
-
AlaSerTrp
Ala-Ser-Trp
ME648996
-
-
2.7178218
-
AsnAlaAsn
Asn-Ala-Asn
ME649006
-
-
1.1902683
-
AsnProLys
Asn-Pro-Lys
ME649007
-
-
5.9758644
-
Bis(2-hydroxypropyl)amine
-
ME649022
-
-
4.8587575
-
Bis(2-hydroxypropyl)amine+5.481559
-
ME649023
-
-
5.481559
-
Bis(2-hydroxypropyl)amine+5.6003766
-
ME649024
-
-
5.6003766
-
B-ureidoisobutyricacid
-
ME649027
-
-
2.8427072
-
C20-OHSulfatide
-
ME649029
-
-
5.0791574
-
CARYLOPHYLLENEOXIDE
-
ME649035
-
-
1.0647498
-
cefamandolenafate
-
ME649036
-
-
2.0391972
-
Chloramphenicolalcohol
-
ME649038
-
-
2.8678248
-
Chloramphenicolalcohol+3.2187703
-
ME649039
-
-
3.2187703
-
cyclohexylammonium
Cyclohexylamine
ME649046
-
-
4.802736
-
cyclohexylammonium+2.7358363
Cyclohexylamine
ME649047
-
-
2.7358363
-
cyclohexylammonium+5.197659
Cyclohexylamine
ME649048
-
-
5.197659
-
CysAsnThr
Cys-Asn-Thr
ME649049
-
-
5.427595
-
CysIleHis
Cys-Ile-His
ME649050
-
-
2.0444787
-
deschlorobenzoylIndomethacin
-
ME649056
-
-
2.6107166
-
D-Homogesterone
-
ME649059
-
-
6.4283266
-
DIHYDROFISSINOLIDE
-
ME649070
-
-
5.423968
-
DIHYDRO-OBLIQUIN
-
ME649071
-
-
1.7541665
-
(E)-2-Methylglutaconicacid
2-Methylglutaconic acid
ME648819
-
-
2.541954
-
(E)-2-Methylglutaconicacid+2.7288678
2-Methylglutaconic acid
ME648820
-
-
2.7288678
-
(E)-2-Methylglutaconicacid+7.1860867
2-Methylglutaconic acid
ME648821
-
-
7.1860867
-
Ecgonine-methylester
-
ME649086
-
-
6.3121686
-
Ergoline-8-methanol,10-methoxy-1,6-dimethyl-
-
ME649091
-
-
5.172648
-
EthosuximideM7
-
ME649096
-
-
2.8850381
-
GluGlu
Glu-Glu
ME649105
-
-
5.533334
-
GPA(21:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))
PA 21:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)*
ME649109
-
-
5.0646663
-
GPEtn(16:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))
PE 16:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)*
ME649110
-
-
4.4431777
-
GPEtn(18:0/18:3(9Z,12Z,15Z))[U]
PE 18:0/18:3(9Z,12Z,15Z)*
ME649111
-
-
4.496215
-
GPEtn(18:0/20:4(5Z,8Z,11Z,14Z))[U]
PE 18:0/20:4(5Z,8Z,11Z,14Z)*
ME649112
-
-
4.4355593
-
GPEtn(18:1(11Z)/18:1(9Z))[U]
PE 18:1(11Z)/18:1(9Z)
ME649113
-
-
1.801143
-
GPEtn(18:1(11Z)/18:1(9Z))[U]+2.416716
PE 18:1(11Z)/18:1(9Z)
ME649114
-
-
2.416716
-
GPEtn(20:4(5Z,8Z,11Z,14Z)/20:4(5Z,8Z,11Z,14Z))[U]
PE 20:4(5Z,8Z,11Z,14Z)/20:4(5Z,8Z,11Z,14Z)*
ME649115
-
-
5.3167524
-
GPEtnNMe(18:2(9Z,12Z)/18:2(9Z,12Z))[U]
-
ME649116
-
-
5.1480885
-
GPSer(16:0/18:1(11Z))
PS 16:0/18:1(11Z)
ME649117
-
-
5.38183
-
HECOGENINACETATE
-
ME649121
-
-
1.017476
-
IleSerLys
Ile-Ser-Lys
ME649128
-
-
0.98745143
-
isoamylnitrite
-
ME649139
-
-
1.4070989
-
isoamylnitrite+1.8073217
-
ME649140
-
-
1.8073217
-
IsoquinolineN-oxide
-
ME649145
-
-
1.1665803
-
Ketaminemetabolite(Cyclohexanone,2-(2-chlorophenyl...
-
ME649148
-
-
2.6625488
-
L-4-Hydroxy-3-methoxy-a-methylphenylalanine
-
ME649152
-
-
2.0420208
-
LeuPro
Leu-Pro
ME649159
-
-
7.8548894
-
LeuPro+8.030013
Leu-Pro
ME649160
-
-
8.030013
-
LeuProPro
Leu-Pro-Pro
ME649161
-
-
5.6400676
-
LEVULINICACID,3-BENZYLIDENYL-
-
ME649162
-
-
1.0318167
-
L-gamma-Cyano-gamma-aminobutyricacid
-
ME649163
-
-
7.233923
-
L-gamma-Cyano-gamma-aminobutyricacid+1.2438003
-
ME649164
-
-
1.2438003
-
L-Glutamicaciddibutylester
-
ME649165
-
-
6.3726034
-
Lorazepamglucuronide
-
ME649166
-
-
5.6070933
-
LysGlnIle
Lys-Gln-Ile
ME649169
-
-
3.5092492
-
LysHisMet
Lys-His-Met
ME649170
-
-
1.0981611
-
MetTrpGln
Met-Trp-Gln
ME649176
-
-
5.030081
-
N1,N4-Diacetylsulfanilamide
-
ME649184
-
-
1.0877879
-
N-gamma-Acetyl-N-2-formyl-5-methoxykynurenamine
-
ME649196
-
-
5.1699085
-
N-HISTIDYL-2-AMINONAPHTHALENE(betaNA)
-
ME649198
-
-
1.1021628
-
N-Methyl-2-pyridone-5-carboxamide(Nudifloramide)
-
ME649200
-
-
1.9183118
-
N-methyl-Gabapentin
-
ME649201
-
-
1.205244
-
N,O-Didesmethylvenlafaxine
-
ME649183
-
-
1.1850916
-
OLEANANOICACIDACETATE
-
ME649208
-
-
1.0735099
-
o-Toluenesulfamide
-
ME649210
-
-
5.8102994
-
Pinacidil+6.5333734
Pindac
ME649225
-
-
6.5333734
-
Pinacidil-N-Oxide
-
ME649226
-
-
7.3511677
-
ProArgAsp
Pro-Arg-Asp
ME649227
-
-
1.1219872
-
ProHis
Pro-His
ME649228
-
-
5.8276343
-
Propionylglycinemethylester
-
ME649231
-
-
2.063841
-
Propionylglycinemethylester+3.163646
-
ME649232
-
-
3.163646
-
Propionylglycinemethylester+6.2598743
-
ME649233
-
-
6.2598743
-
ProTyr
Pro-Tyr
ME649236
-
-
1.2286
-
QUERCETINTETRAMETHYL(5,7,3',4')ETHER
-
ME649246
-
-
2.0315366
-
TEGASEROD
Tegaserod
ME649255
-
-
7.09571
-
TEGASEROD+6.4934783
Tegaserod
ME649256
-
-
6.4934783
-
Tranexamicacid
Tranexamic acid
ME649263
-
C12535
4.7986984
-
Tranexamicacid+1.6364517
Tranexamic acid
ME649264
-
C12535
1.6364517
-
Tranexamicacid+6.7028675
Tranexamic acid
ME649265
-
C12535
6.7028675
-
Triparanol
Triparanol
ME649269
-
-
1.6634947
-
Triparanol+6.444099
Triparanol
ME649270
-
-
6.444099
-
Triparanol+6.739891
Triparanol
ME649271
-
-
6.739891
-
Triparanol+7.1791935
Triparanol
ME649272
-
-
7.1791935
-
TROMETHAMINE
2-Amino-2-methylol-propane-1,3-diol
ME649273
-
-
5.0170226
-
TROMETHAMINE+5.1856112
2-Amino-2-methylol-propane-1,3-diol
ME649274
-
-
5.1856112
-
TROMETHAMINE+5.4366517
2-Amino-2-methylol-propane-1,3-diol
ME649275
-
-
5.4366517
-
TROMETHAMINE+5.5924644
2-Amino-2-methylol-propane-1,3-diol
ME649276
-
-
5.5924644
-
TROMETHAMINE+5.7465215
2-Amino-2-methylol-propane-1,3-diol
ME649277
-
-
5.7465215
-
TROMETHAMINE+5.827722
2-Amino-2-methylol-propane-1,3-diol
ME649278
-
-
5.827722
-
TROMETHAMINE+5.9955096
2-Amino-2-methylol-propane-1,3-diol
ME649279
-
-
5.9955096
-
TROMETHAMINE+6.2190123
2-Amino-2-methylol-propane-1,3-diol
ME649280
-
-
6.2190123
-
TROMETHAMINE+6.6530137
2-Amino-2-methylol-propane-1,3-diol
ME649281
-
-
6.6530137
-
TrpAlaIle
Trp-Ala-Ile
ME649282
-
-
1.2448509
-
TrpArgGly
Trp-Arg-Gly
ME649283
-
-
1.198362
-
TrpTyrTyr
Trp-Tyr-Tyr
ME649284
-
-
3.300751
-
URSINICACID
-
ME649294
-
-
5.5716996
-
VALERYLSALYCILATE
-
ME649295
-
-
1.1502308
-
ValHisAsn
Val-His-Asn
ME649296
-
-
1.0690416
-
ValSerLys
Val-Ser-Lys
ME649299
-
-
1.070081
-
ValSerLys+1.0849711
Val-Ser-Lys
ME649300
-
-
1.0849711
-
(Z)-N-(2-hydroxyethyl)hexadec-7-enamide
-
ME648822
-
-
1.042607
-
Analysis: MS negative ion mode/C18
Select
Metabolite Name
RefMet Name/Standardized Name*
WorkBenchMetabolite_ID
PubChemCompound_ID
Kegg Id
Retentiontime/index
m/z ratio
2,3-Dihydroxybenzoicacid
2-Pyrocatechuic acid
ME649334
19
C00196
4.41902
-
3-Methyl-2-oxovalericacid
3-Methyl-2-oxovaleric acid
ME649360
47
C00671
3.6740103
-
3-Methyl-2-oxovalericacid-3.889969
3-Methyl-2-oxovaleric acid
ME649361
47
C00671
3.889969
-
2-Keto-glutaramicacid
2-Keto-glutaramic acid
ME649348
48
C00940
1.0033643
-
2-KetoglutaricAcid
2-Oxoglutaric acid
ME649349
51
C00026
1.0743386
-
Acetoaceticacid
Acetoacetic acid
ME649391
96
C00164
1.1075032
-
p-Methylolphenol
4-Hydroxybenzyl alcohol
ME649586
125
C17467
4.595244
-
Acetoin
Acetoin
ME649392
179
C00810
3.1637812
-
Acetoin-3.5205564
Acetoin
ME649393
179
C00810
3.5205564
-
beta-Alanine
beta-Alanine
ME649414
239
C00099
0.95029163
-
beta-Alanine-2.075091
beta-Alanine
ME649415
239
C00099
2.075091
-
Benzylalcohol
Benzyl alcohol
ME649413
244
C00556
4.8029284
-
Pyrocatechol
Pyrocatechol
ME649598
289
C00090
3.558423
-
Pyrocatechol-4.419533
Pyrocatechol
ME649599
289
C00090
4.419533
-
2,3-Diaminopropionicacid
2,3-Diaminopropionic acid
ME649333
364
C03401
3.1663556
-
Hippuricacid
Hippuric acid
ME649508
464
C01586
4.3340964
-
Dihydroquercetin
Taxifolin
ME649451
471
C01617
1.110269
-
Creatine
Creatine
ME649431
586
C00300
0.9492899
-
Glutamate
Glutamic acid
ME649492
611
-
1.0950689
-
Diacetyl
Diacetyl
ME649444
650
C00741
1.0195959
-
Diacetyl-1.259489
Diacetyl
ME649445
650
C00741
1.259489
-
Diacetyl-1.5030674
Diacetyl
ME649446
650
C00741
1.5030674
-
Dihydroxyacetone(glycerone)
Dihydroxyacetone
ME649452
670
C00184
0.899841
-
Dihydroxyacetone(glycerone)-1.278433
Dihydroxyacetone
ME649453
670
C00184
1.278433
-
Dihydroxyacetone(glycerone)-1.3661408
Dihydroxyacetone
ME649454
670
C00184
1.3661408
-
Glycine
Glycine
ME649495
750
C00037
1.2074456
-
Glycolaldehyde
Glycolaldehyde
ME649496
756
C00266
0.89645976
-
Glycolicacid
Glycolic acid
ME649497
757
C00160
0.91417617
-
Glyoxylicacid
Glyoxylic acid
ME649501
760
C00048
1.0332499
-
Glyoxylicacid-1.0549864
Glyoxylic acid
ME649502
760
C00048
1.0549864
-
Glyoxylicacid-1.2737006
Glyoxylic acid
ME649503
760
C00048
1.2737006
-
Histamine
Histamine
ME649509
774
C00388
0.8400891
-
Indole
Indole
ME649512
798
C00463
3.6472793
-
Methylglyoxal
Pyruvaldehyde
ME649543
880
C00546
0.90282834
-
Methylglyoxal-1.0418581
Pyruvaldehyde
ME649544
880
C00546
1.0418581
-
Methylglyoxal-1.2775441
Pyruvaldehyde
ME649545
880
C00546
1.2775441
-
N-Acetylarylamine
N-Acetylarylamine
ME649554
904
C02558
4.334701
-
Oxalaceticacid
Oxaloacetic acid
ME649563
970
C00036
1.2510328
-
PantothenicAcid
Pantothenic acid
ME649570
988
C00864
3.3818572
-
Phenol
Phenol
ME649580
996
C00146
3.8537607
-
Phenol-5.4386764
Phenol
ME649581
996
C00146
5.4386764
-
Purine
Purine
ME649596
1044
C00465
0.8055338
-
Purine-1.1716841
Purine
ME649597
1044
C00465
1.1716841
-
Pyruvicacid
Pyruvic acid
ME649605
1060
C00022
0.961676
-
Pyruvicacid-1.0565577
Pyruvic acid
ME649606
1060
C00022
1.0565577
-
Pyruvicacid-1.1454303
Pyruvic acid
ME649607
1060
C00022
1.1454303
-
Pyruvicacid-1.2166147
Pyruvic acid
ME649608
1060
C00022
1.2166147
-
Pyruvicacid-1.2594115
Pyruvic acid
ME649609
1060
C00022
1.2594115
-
Pyruvicacid-2.9096313
Pyruvic acid
ME649610
1060
C00022
2.9096313
-
Uricacid
Uric acid
ME649635
1175
C00366
1.266811
-
Uricacid-1.3627466
Uric acid
ME649636
1175
C00366
1.3627466
-
EPIGALLOCATECHIN
Epigallocatechin
ME649476
1249
C12136
1.0253806
-
alpha-Hydroxytriazolam
alpha-Hydroxytriazolam
ME649400
1963
-
1.2690227
-
Chloralhydrate
Chloral hydrate
ME649421
2707
C06899
0.84550345
-
Chlorpropamide
Chlorpropamide
ME649424
2727
C06907
1.0399817
-
Diflunisal
Diflunisal
ME649447
3059
C01691
5.431194
-
Embelin
Embelin
ME649467
3218
C10342
8.964944
-
Embelin-13.636489
Embelin
ME649468
3218
C10342
13.636489
-
Embelin-13.931011
Embelin
ME649469
3218
C10342
13.931011
-
Embelin-14.229529
Embelin
ME649470
3218
C10342
14.229529
-
Embelin-14.352174
Embelin
ME649471
3218
C10342
14.352174
-
Embelin-14.664187
Embelin
ME649472
3218
C10342
14.664187
-
Embelin-9.58408
Embelin
ME649473
3218
C10342
9.58408
-
Fluorescein
Fluorescein
ME649479
3383
-
3.6640759
-
Lauricacid
Lauric acid
ME649533
3893
C02679
11.846547
-
Ubiquinone
-
ME649634
4462
C00399
9.566922
-
Oxipurinol
Oxypurinol
ME649565
4644
C07599
1.6119324
-
Oxipurinol-1.6762943
Oxypurinol
ME649566
4644
C07599
1.6762943
-
4-Hydroxybenzenesulfonicacid
4-Hydroxybenzenesulfonic acid
ME649369
4765
C12849
3.8538492
-
Procarbazine
Procarbazine
ME649589
4915
C07402
8.965345
-
Stearicacid
Stearic acid
ME649620
5281
C01530
14.337867
-
THIODIGLYCOL
Thiodiglycol
ME649624
5447
-
4.7500234
-
Tolbutamide
Tolbutamide
ME649627
5505
C07148
3.7319298
-
D-Glucose
Glucose
ME649442
5793
C00031
0.93794405
-
PenicillinG
Penicillin G
ME649572
5904
C05551
1.8797408
-
PenicillinG-1.967217
Penicillin G
ME649573
5904
C05551
1.967217
-
PenicillinG-3.6869733
Penicillin G
ME649574
5904
C05551
3.6869733
-
Testosteronesulfate
Testosterone sulfate
ME649622
6013
C00535
7.019972
-
Uridine
Uridine
ME649637
6029
C00299
1.8731611
-
Uridine-1.910261
Uridine
ME649638
6029
C00299
1.910261
-
edetate
Edetic acid
ME649462
6049
C00284
0.8124117
-
edetate-0.93380904
Edetic acid
ME649463
6049
C00284
0.93380904
-
edetate-1.1820154
Edetic acid
ME649464
6049
C00284
1.1820154
-
Tyrosine
Tyrosine
ME649631
6057
C00082
1.7064115
-
Tyrosine-1.7685826
Tyrosine
ME649632
6057
C00082
1.7685826
-
Leucine
Leucine
ME649534
6106
C00123
2.2741127
-
Methionine
Methionine
ME649538
6137
C00073
1.2806439
-
Mannitol
Mannitol
ME649537
6251
C00392
0.8439635
-
DL-Ornithine
Ornithine
ME649459
6262
C00077
0.8232542
-
Histidine
Histidine
ME649510
6274
C00135
0.84055555
-
Tryptophan
Tryptophan
ME649630
6305
C00078
3.6469781
-
Isoleucine
Isoleucine
ME649520
6306
C00407
2.0593977
-
Isoleucine-2.0780413
Isoleucine
ME649521
6306
C00407
2.0780413
-
Arginine
Arginine
ME649407
6322
C00062
0.8603773
-
4-Pyridoxicacid
4-Pyridoxic acid
ME649371
6723
C00847
2.828648
-
3-Methylindole
3-Methylindole
ME649362
6736
C08313
5.961048
-
Phensuximide
Phensuximide
ME649582
6839
C07437
6.6870537
-
1-Hydroxy-2-naphthoicacid
1-Hydroxy-2-naphthoate
ME649321
6844
C03203
1.3824449
-
1-Hydroxy-2-naphthoicacid-1.4369344
1-Hydroxy-2-naphthoate
ME649322
6844
C03203
1.4369344
-
1-Hydroxy-2-naphthoicacid-2.7467046
1-Hydroxy-2-naphthoate
ME649323
6844
C03203
2.7467046
-
1-Hydroxy-2-naphthoicacid-3.09768
1-Hydroxy-2-naphthoate
ME649324
6844
C03203
3.09768
-
1-Hydroxy-2-naphthoicacid-3.6412473
1-Hydroxy-2-naphthoate
ME649325
6844
C03203
3.6412473
-
1-Hydroxy-2-naphthoicacid-4.3362813
1-Hydroxy-2-naphthoate
ME649326
6844
C03203
4.3362813
-
2-Furoicacid
2-Furoic acid
ME649340
6919
C01546
1.0247734
-
2-Furoicacid-1.2499225
2-Furoic acid
ME649341
6919
C01546
1.2499225
-
2,4-DINITROPHENOL
2,4-Dinitrophenol
ME649337
7321
C02496
6.651253
-
Pyroglutamicacid
Pyroglutamic acid
ME649602
7405
C01879
0.8698205
-
Pyroglutamicacid-1.2783064
Pyroglutamic acid
ME649603
7405
C01879
1.2783064
-
Pyroglutamicacid-1.5171912
Pyroglutamic acid
ME649604
7405
C01879
1.5171912
-
Succinicanhydride
Succinic anhydride
ME649621
7922
C19524
0.83997315
-
Tetrahydrofuran
Tetrahydrofuran
ME649623
8028
-
3.7381377
-
Citrulline
Citrulline
ME649428
9750
C00327
0.8946321
-
EMODICACID
Emodicacid
ME649474
10169
-
4.7722487
-
EMODICACID-4.837887
Emodicacid
ME649475
10169
-
4.837887
-
OSTHOL
Osthole
ME649562
10228
C09280
3.7376895
-
Indoxylsulfuricacid
Indoxyl sulfate
ME649513
10258
-
4.130571
-
Isovalericacid
Isovaleric acid
ME649527
10430
C08262
3.8906155
-
Gluconicacid
Gluconic acid
ME649487
10690
C00257
0.8753774
-
2,2-Dimethylsuccinicacid
2,2-Dimethylsuccinic acid
ME649332
11701
-
2.9092493
-
Adipamide
Adipamide
ME649394
12364
-
0.93195367
-
Pseudouridine
Pseudouridine
ME649594
15047
C02067
1.2295679
-
5-Methoxyindoleacetate
5-Methoxyindoleacetic acid
ME649377
18986
C05660
5.3267
-
5-Methoxyindoleacetate-5.326242
5-Methoxyindoleacetic acid
ME649378
18986
C05660
5.326242
-
PSOROMICACID
Psoromic acid
ME649595
23725
-
5.7549033
-
Desmosine
Desmosine
ME649441
25435
-
10.529991
-
Glucoheptonicacid
Glucoheptonic acid
ME649486
25588
-
2.2858949
-
Amoxicillin
Amoxicillin
ME649401
33613
C06827
3.1677608
-
N4-Acetylsulfapyridine
N4-Acetylsulfapyridine
ME649552
58638
-
4.3417373
-
b-Glucose
Glucose
ME649416
64689
C00221
3.676065
-
N(pai)-Methyl-L-histidine
3-Methylhistidine
ME649551
64969
C01152
0.84656906
-
Cholesterolsulfate
Cholesterol sulfate
ME649425
65076
C18043
14.096062
-
ISOPIMPINELLIN
Isopimpinellin
ME649524
68079
C02162
5.7559037
-
1-Methyluricacid
1-Methyluric acid
ME649327
69726
C16359
2.9024189
-
1,3-Dimethyluricacid
1,3-Dimethyluric acid
ME649308
70346
-
3.5135827
-
6-Hydroxynicotinicacid
6-Hydroxynicotinic acid
ME649386
72924
C01020
6.1687875
-
Diphenylmethylphosphine
-
ME649455
73879
-
0.82096726
-
10-hydroxycapricacid
10-Hydroxydecanoic acid
ME649309
74300
C02774
8.300647
-
10-hydroxycapricacid-8.739356
10-Hydroxydecanoic acid
ME649310
74300
C02774
8.739356
-
Phenylsulfate
Phenyl hydrogen sulfate
ME649583
74426
C00850
0.7847535
-
O-BENZYL-l-SERINE
-
ME649558
78457
-
9.598301
-
10-oxo-decanoicacid
10-Oxodecanoic acid
ME649312
79686
C02217
8.061893
-
1-METHYLXANTHINE
1-Methylxanthine
ME649328
80220
C16358
3.0595253
-
1-METHYLXANTHINE-3.0002494
1-Methylxanthine
ME649329
80220
C16358
3.0002494
-
Panaxytriol
Panaxytriol
ME649568
93484
-
11.937119
-
Panaxytriol-11.995774
Panaxytriol
ME649569
93484
-
11.995774
-
L-arabitol
L-Arabitol
ME649532
94154
C00532
2.286537
-
Sedoheptulose
Glucoheptulose
ME649615
102926
C02076
3.7893252
-
Lactate
Lactic acid
ME649531
107689
C00186
1.4277393
-
VALDECOXIB
Valdecoxib
ME649639
119607
-
0.8145896
-
VALDECOXIB-0.9111763
Valdecoxib
ME649640
119607
-
0.9111763
-
S-(p-Azidophenacyl)glutathione
S-(p-Azidophenacyl)glutathione
ME649614
126348
C11315
0.9159735
-
Galactonicacid
Galactonic acid
ME649483
128869
C00880
0.9087634
-
Proline
Proline
ME649590
145742
C00148
0.9685291
-
Isopentadecylicacid
Isopentadecylic acid
ME649523
151014
-
13.615793
-
O-Desmethylnaproxen
O-Desmethylnaproxen
ME649559
162920
-
2.2646859
-
O-Desmethylnaproxen-2.6572826
O-Desmethylnaproxen
ME649560
162920
-
2.6572826
-
O-Desmethylnaproxen-3.7390716
O-Desmethylnaproxen
ME649561
162920
-
3.7390716
-
Ne-Methyl-L-lysine
N(6)-Methyllysine
ME649556
164795
C02728
0.93364966
-
3-Oxovalproicacid
3-Oxovalproicacid
ME649365
173719
C16652
6.15582
-
,4-Dihydroxyphenylpropionicacid
Dihydroxyphenylpropionic acid
ME649305
192095
C10447
3.6912422
-
Dehydroascorbicacid
Dehydroascorbic acid
ME649438
210328
C00425
1.0200858
-
Dehydroascorbicacid-1.251309
Dehydroascorbic acid
ME649439
210328
C00425
1.251309
-
Dehydroascorbicacid-1.285603
Dehydroascorbic acid
ME649440
210328
C00425
1.285603
-
3-hydroxy-hexadecanoicacid
3-Hydroxyhexadecanoic acid
ME649359
301590
-
12.81988
-
Glycericacid
Glyceric acid
ME649494
439194
C00258
0.95171994
-
Lactaldehyde
Lactaldehyde
ME649529
439231
C00424
1.9368728
-
Lactaldehyde-2.5228448
Lactaldehyde
ME649530
439231
C00424
2.5228448
-
3-Dehydroquinicacid
3-Dehydroquinate
ME649356
439351
C00944
0.8184028
-
3-Dehydroquinicacid-1.6222234
3-Dehydroquinate
ME649357
439351
C00944
1.6222234
-
3-oxo-dodecanoicacid
3-Oxododecanoic acid
ME649364
439717
C02367
9.114936
-
(S)-2-Hydroxyglutarate
2-Hydroxyglutaric acid
ME649304
439939
C03196
1.0204442
-
D-Leucicacid
D-Leucic acid
ME649458
439960
C03264
4.779382
-
Oxaloglutarate
2-Oxaloglutaric acid
ME649564
440718
C05533
0.8705552
-
2-methylene-4-oxo-pentanedioicacid
2-Methylene-4-oxopentanedioic acid
ME649350
440813
C06035
1.1315064
-
MIGLITOL
Miglitol
ME649548
441314
C07708
0.93300784
-
Ecgonine
Ecgonine
ME649461
443003
C10858
1.2722204
-
Fumaricacid
Fumaric acid
ME649480
444972
C00122
1.0417916
-
PGH2
PGH2
ME649575
445049
C00427
14.133853
-
5Z,11Z,14Z-eicosatrienoicacid
Sciadonic acid
ME649380
445084
-
13.727154
-
N-Acetylgalactosamine4-sulphate
N-Acetylglucosamine
ME649555
446101
C16265
0.92476416
-
Cilastatin
Cilastatin
ME649426
446363
C01675
3.167372
-
ISOLIQUIRITIGENIN
Isoliquiritigenin
ME649522
638278
C08650
3.1689029
-
thyrotropinreleasinghormone
Thyrotropin releasing hormone
ME649626
638678
C03958
8.966782
-
p-HYDROXYCINNAMALDEHYDE
(E)-3-(4-Hydroxyphenyl)-2-propenal
ME649585
641301
C05608
3.166537
-
Citraconicacid
Citraconic acid
ME649427
643798
C02226
1.0262756
-
Ribulose
L-Ribulose
ME649611
644111
-
0.9784638
-
Chlorogenicacid
Chlorogenic acid
ME649423
1794427
C00852
0.91594
-
D-Homoserine
D-Homoserine
ME649443
2724170
-
0.8963275
-
Pyrocatecholsulfate
Catechol sulfate
ME649600
3083879
-
3.558307
-
KOBUSONE
Kobusone
ME649528
3440569
-
8.96499
-
Bilirubin
Bilirubin
ME649417
5280352
C00486
7.8687897
-
Bilirubin-14.711075
Bilirubin
ME649418
5280352
C00486
14.711075
-
Glutaconicacid
Glutaconic acid
ME649488
5280498
C02214
0.83454555
-
Glutaconicacid-0.98035145
Glutaconic acid
ME649489
5280498
C02214
0.98035145
-
Glutaconicacid-1.2568557
Glutaconic acid
ME649490
5280498
C02214
1.2568557
-
Glutaconicacid-1.5243738
Glutaconic acid
ME649491
5280498
C02214
1.5243738
-
2,4-dihydroxy-2-heptenediocacid
2,4-Dihydroxy-2-heptenedioic acid
ME649336
5280910
C06201
1.7460853
-
5-octadecylenicacid
6-Octadecylenic acid
ME649379
5281125
C08363
14.218903
-
Ellagicacid
Ellagic acid
ME649465
5281855
C10788
3.0466976
-
Ellagicacid-3.0542476
Ellagic acid
ME649466
5281855
C10788
3.0542476
-
Methyljasmonate
Methyl jasmonate
ME649546
5281929
C11512
9.068321
-
clavuloneI
Clavulone I
ME649429
5282264
C13810
10.64824
-
clavuloneI-10.898006
Clavulone I
ME649430
5282264
C13810
10.898006
-
2-Naphthaleneaceticacid,6-hydroxy-
2-Octenoic acid
ME649352
5282713
-
2.2597382
-
7-palmitoleicacid
7-Palmitoleic acid
ME649387
5282744
-
13.233536
-
9,12,14-octadecatrienoicacid
9,12,14-Octadecatrienoic acid
ME649388
5282821
-
12.787296
-
DL-11-hydroxystearicacid
11-Hydroxystearic acid
ME649457
5282910
-
12.091632
-
methyl8-[2-(2-formyl-vinyl)-3-hydroxy-5-oxo-cyclop...
-
ME649541
5282975
-
8.998314
-
9-deoxy-9-methylene-16,16-dimethyl-PGE2
9-Deoxy-9-methylene-16,16-dimethyl -PGE2
ME649389
5283060
-
14.168141
-
methyl9,11-epidioxy-12,15-dihydroperoxy-5,7,13-eic...
Methyl 9,11-epidioxy-12,15-dihydroperoxy-5,7,13-eicosatrienoate
ME649542
5283150
-
8.96599
-
Murocholicacid
Murideoxycholic acid
ME649550
5283821
C15515
10.098845
-
10-methyl-hexadecanoicacid
10-Methyl-hexadecanoic acid
ME649311
5312292
-
14.658238
-
3E,5E-tridecadienoicacid
3E,5E-Tridecadienoic acid
ME649358
5312396
-
8.0289135
-
13E,17-octadecadienoicacid
13E,17-Octadecadienoic acid
ME649313
5312454
-
13.462869
-
4Z,7Z,10Z,13Z-eicosatetraenoicacid
4Z,7Z,10Z,13Z-Eicosatetraenoic acid
ME649372
5312539
-
13.27512
-
9R-hydroxy-12E-octadecenoicacid
9R-HOME(12E)
ME649390
5312847
-
12.366876
-
ISOEUGENITOL
Isoeugenitol
ME649519
5318562
-
0.9129543
-
Erythrono-1,4-lactone
Erythrono-1,4-lactone
ME649477
5325915
-
1.0231067
-
Erythrono-1,4-lactone-1.9339892
Erythrono-1,4-lactone
ME649478
5325915
-
1.9339892
-
Isoacitretin
Isoacitretin
ME649514
6437841
-
10.596096
-
Isoacitretin-10.753435
Isoacitretin
ME649515
6437841
-
10.753435
-
Isoacitretin-10.899509
Isoacitretin
ME649516
6437841
-
10.899509
-
Isoacitretin-14.103292
Isoacitretin
ME649517
6437841
-
14.103292
-
Arabinose
Arabinose
ME649403
7044039
-
0.9251253
-
2-methyl-tridecanedioicacid
2-Methyl-tridecanedioic acid
ME649351
9543658
-
8.86049
-
Hexacosanedioicacid
Hexacosanedioic acid
ME649507
9543670
-
14.49945
-
1,2-di-(8Z,11Z,14Z-eicosatrienoyl)-sn-glycerol
DG 20:3_20:3
ME649307
9543851
-
13.598188
-
1-(13Z-docosenoyl)-2-(7Z,10Z,13Z,16Z,19Z-docosapen...
DG 22:1_22:5
ME649306
9543958
-
14.65026
-
1alpha,25-dihydroxy-26,27-dimethyl-22-oxavitaminD3...
-
ME649318
9547495
-
13.637601
-
(22S)-1alpha,22,25-trihydroxy-23,24-tetradehydro-2...
-
ME649303
9547509
-
13.60272
-
1alpha,25-dihydroxy-2beta-(5-hydroxypentoxy)vitami...
-
ME649320
9547631
-
12.620916
-
1alpha,25-dihydroxy-11alpha-phenylvitaminD3/1alpha...
-
ME649316
9547632
-
14.122296
-
2-Ethylisonicotinicacid
2-Ethylisonicotinicacid
ME649339
10125075
-
4.940087
-
Dihydromyricetin
Dihydromyricetin
ME649450
12306070
C02906
1.2378899
-
Glycoursodeoxycholicacid
Glycoursodeoxycholic acid
ME649498
12310288
-
8.608262
-
Glycoursodeoxycholicacid-8.816933
Glycoursodeoxycholic acid
ME649499
12310288
-
8.816933
-
3-Methylsubericacid
3-Methylsuberic acid
ME649363
12346696
-
5.74364
-
Isorhamnetin
Isorhamnetin
ME649526
15817847
C10084
0.9167531
-
OXOLINICACID
Oxolinicacid
ME649567
18972857
-
0.9216762
-
Diglycolicacid
-
ME649448
20501273
-
1.0565603
-
guaifenesin
Guaifenesin
ME649506
24848075
-
5.4552073
-
17-alpha,21-dihydroxy-11,20-dioxo-5-beta-pregnan-3...
-
ME649314
-
-
5.9987707
-
19-hydroxy-17-oxoandrost-5-en-3-beta-ylsulfate
-
ME649315
-
-
5.91377
-
1alpha,25-dihydroxy-11alpha-phenylvitaminD3/1alpha...
-
ME649317
-
-
14.324497
-
1alpha,25-dihydroxy-26,27-dimethyl-22-oxavitaminD3...
-
ME649319
-
-
13.7853775
-
1-Naphthoicacidglucuronide
-
ME649330
-
-
1.1056205
-
1-Naphthylbeta-D-glucuronide
-
ME649331
-
-
0.9271307
-
2,3-Dioxogulonicacid
-
ME649335
-
-
1.2522447
-
2-amino-4'-hydroxy-Propiophenone
-
ME649338
-
-
3.1663368
-
2-Hydroxy-3-(4-methoxyethylphenoxy)-propanoicacid
-
ME649342
-
-
7.70409
-
2-Hydroxyethinylestradiol
2-Hydroxyethinylestradiol
ME649343
-
-
10.052974
-
2-Hydroxyethinylestradiol-10.318296
2-Hydroxyethinylestradiol
ME649344
-
-
10.318296
-
2-Hydroxyethinylestradiol-13.812337
2-Hydroxyethinylestradiol
ME649345
-
-
13.812337
-
2-Hydroxyethinylestradiol-14.280895
2-Hydroxyethinylestradiol
ME649346
-
-
14.280895
-
2-ISOPRENYL-3-HYDROXY-5-METHYL-a-PYRONE
-
ME649347
-
-
8.303454
-
2-propyl-tridecanoicacid
2-Propyl-tridecanoic acid
ME649353
-
-
14.091831
-
2-propyl-tridecanoicacid-14.579373
2-Propyl-tridecanoic acid
ME649354
-
-
14.579373
-
3,9,15-Docosatriynoicacid
3,9,15-Docosatriynoic acid
ME649355
-
-
13.050321
-
4,7,10,13,16-docosapentaenoicacid
4,7,10,13,16-Docosapentaenoic acid
ME649366
-
-
13.407321
-
4,7,10,13,16-docosapentaenoicacid-13.522585
4,7,10,13,16-Docosapentaenoic acid
ME649367
-
-
13.522585
-
4,8-dimethyl-dodecanoicacid
4,8-Dimethyl-dodecanoic acid
ME649368
-
-
13.073358
-
4-Hydroxypyridine
4-Pyridone
ME649370
-
-
1.5321242
-
5-(4-hydroxy-2,5-dimethylphenoxy)-2,2-dimethyl-Pen...
-
ME649373
-
-
9.622959
-
5beta-Androstan-3alpha-ol-17-onesulfate
5beta-Androstan-3alpha-ol-17-one sulfate
ME649374
-
-
7.1851764
-
5beta-Androstan-3alpha-ol-17-onesulfate-7.384574
5beta-Androstan-3alpha-ol-17-one sulfate
ME649375
-
-
7.384574
-
5H-Oxireno[4,5]furo[3,2-g][1]benzopyran-5-one,1a,8...
-
ME649376
-
-
1.0427588
-
6-(2-CHLORO-5-(TRIFLUOROMETHYL)PHENYL)-1-PHENYL-2-...
-
ME649381
-
-
0.8214115
-
6-(2-CHLORO-5-(TRIFLUOROMETHYL)PHENYL)-1-PHENYL-2-...
-
ME649382
-
-
0.88713235
-
6b,11b,16a,17a,21-Pentahydroxypregna-1,4-diene-3,2...
-
ME649383
-
-
10.099962
-
6b,11b,16a,17a,21-Pentahydroxypregna-1,4-diene-3,2...
-
ME649384
-
-
10.120011
-
6b,11b,16a,17a,21-Pentahydroxypregna-1,4-diene-3,2...
-
ME649385
-
-
10.308402
-
a-hydroxybutyrate
2-Hydroxybutyric acid
ME649395
-
-
2.2609584
-
a-hydroxybutyrate-2.5272808
2-Hydroxybutyric acid
ME649396
-
-
2.5272808
-
a-hydroxybutyrate-2.6625693
2-Hydroxybutyric acid
ME649397
-
-
2.6625693
-
a-hydroxyisovalerate
2-Hydroxy-3-methylbutyric acid
ME649398
-
-
3.2063117
-
a-hydroxyisovalerate-3.5221016
2-Hydroxy-3-methylbutyric acid
ME649399
-
-
3.5221016
-
ANHYDROBRAZILICACID
-
ME649402
-
-
1.3399177
-
ArgAsnGln
Arg-Asn-Gln
ME649404
-
-
13.46415
-
ArgCysPhe
Arg-Cys-Phe
ME649405
-
-
10.107532
-
ArgCysPhe-10.132811
Arg-Cys-Phe
ME649406
-
-
10.132811
-
ArgPheArg
Arg-Phe-Arg
ME649408
-
-
10.623756
-
AspAsnGlu
Asp-Asn-Glu
ME649409
-
-
4.316738
-
AspHis
Asp-His
ME649410
-
-
0.8655657
-
b-D-Glucopyranosiduronicacid,(3b,5b)-17-oxoestran-...
-
ME649411
-
-
6.675781
-
Benzenemethanol,2-(2-aminopropoxy)-3-methyl-
-
ME649412
-
-
7.7033873
-
B-ureidoisobutyricacid
-
ME649419
-
-
0.86653304
-
B-ureidoisobutyricacid-4.3210588
-
ME649420
-
-
4.3210588
-
Chloramphenicolalcohol
-
ME649422
-
-
0.9063273
-
CysThrArg
Cys-Thr-Arg
ME649432
-
-
9.623914
-
D1-2-Hydroxymethylethisterone
-
ME649433
-
-
11.158554
-
D1-2-Hydroxymethylethisterone-11.350735
-
ME649434
-
-
11.350735
-
D1-2-Hydroxymethylethisterone-11.471997
-
ME649435
-
-
11.471997
-
D1-2-Hydroxymethylethisterone-13.439987
-
ME649436
-
-
13.439987
-
D1-2-Hydroxymethylethisterone-14.223754
-
ME649437
-
-
14.223754
-
DIHYDROMUNDULETONE
-
ME649449
-
-
10.309898
-
Diphenylmethylphosphineoxide
-
ME649456
-
-
2.5299435
-
D-Phenyllacticacid
L-3-Phenyllactic acid
ME649460
-
-
5.1403513
-
Furan2,5-dicarboxylicacid
2,5-Furandicarboxylic acid
ME649481
-
-
1.0196403
-
Furan2,5-dicarboxylicacid-1.2302623
2,5-Furandicarboxylic acid
ME649482
-
-
1.2302623
-
gamma-Hydroxyphenylbutazoneglucuronide
-
ME649484
-
-
9.537148
-
GemfibrozilM2
Gemfibrozil
ME649485
-
-
11.25281
-
GlyAsnTyr
Gly-Asn-Tyr
ME649493
-
-
3.168072
-
GlyHisAsn
Gly-His-Asn
ME649500
-
-
0.86526644
-
GPEtn(16:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))
PE 16:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)*
ME649504
-
-
14.638641
-
GPSer(18:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))
PS 18:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)*
ME649505
-
-
11.205637
-
IdebenoneMetabolite(Benzenebutanoicacid,2-hydroxy-...
-
ME649511
-
-
0.9249244
-
isoamylnitrite
-
ME649518
-
-
1.1838133
-
IsoquinolineN-oxide
-
ME649525
-
-
5.7484274
-
LeuTyrMet
Leu-Tyr-Met
ME649535
-
-
6.67533
-
L-gamma-Cyano-gamma-aminobutyricacid
-
ME649536
-
-
0.9241981
-
MetHisLys
Met-His-Lys
ME649539
-
-
6.4420724
-
METHYL7-DESHYDROXYPYROGALLIN-4-CARBOXYLATE
-
ME649540
-
-
3.6464732
-
MetLysSer
Met-Lys-Ser
ME649547
-
-
3.1672096
-
m-Salicylicacid
3-Hydroxybenzoic acid
ME649549
-
-
5.434878
-
N-Acetyl-5-aminosalicylicacid
-
ME649553
-
-
4.9379497
-
N-gamma-Acetyl-N-2-formyl-5-methoxykynurenamine
-
ME649557
-
-
4.322
-
Penicillaminedisulfide
-
ME649571
-
-
0.93242145
-
PheAlaArg
Phe-Ala-Arg
ME649576
-
-
14.135119
-
PheArgGlu
Phe-Arg-Glu
ME649577
-
-
6.705841
-
PheArgSer
Phe-Arg-Ser
ME649578
-
-
6.6748238
-
PheGlyThr
Phe-Gly-Thr
ME649579
-
-
0.83398795
-
PhePhe
Phe-Phe
ME649584
-
-
0.86249846
-
Pregnanolonesulfate
-
ME649587
-
-
7.226079
-
ProAsp
Pro-Asp
ME649588
-
-
0.9313616
-
ProTrpHis
Pro-Trp-His
ME649591
-
-
10.642746
-
ProTrpHis-10.727135
Pro-Trp-His
ME649592
-
-
10.727135
-
ProTrpIle
Pro-Trp-Ile
ME649593
-
-
10.812846
-
PYROGALLIN
1,2,3-Trihydroxybenzene
ME649601
-
-
0.95758945
-
Ritodrineglucuronide
-
ME649612
-
-
6.1043773
-
ROTENONICACID,METHYLETHER
-
ME649613
-
-
9.559361
-
SerAspGly
Ser-Asp-Gly
ME649616
-
-
3.1897738
-
SerHisHis
Ser-His-His
ME649617
-
-
8.9667
-
SerPro
Ser-Pro
ME649618
-
-
0.93028456
-
Sodiumtetradecylsulfate
-
ME649619
-
-
10.814798
-
threo-Isocitricacid
-
ME649625
-
-
1.0225513
-
TRIDESACETOXYKHIVORIN
-
ME649628
-
-
11.180927
-
TrpMet
Trp-Met
ME649629
-
-
0.8645708
-
TyrTyrMet
Tyr-Tyr-Met
ME649633
-
-
0.92734706
-
ValGly
Val-Gly
ME649641
-
-
1.0393593
-
ValMetCys
Val-Met-Cys
ME649642
-
-
9.618919
-
Analysis: MS negative ion mode/HILIC
Select
Metabolite Name
RefMet Name/Standardized Name*
WorkBenchMetabolite_ID
PubChemCompound_ID
Kegg Id
Retentiontime/index
m/z ratio
2,3-Dihydroxybenzoicacid
2-Pyrocatechuic acid
ME649692
19
C00196
0.86075455
-
2,3-Dihydroxybenzoicacid-0.9889191
2-Pyrocatechuic acid
ME649693
19
C00196
0.9889191
-
Acetoaceticacid
Acetoacetic acid
ME649806
96
C00164
2.819267
-
Acetoaceticacid-1.094471
Acetoacetic acid
ME649807
96
C00164
1.094471
-
Acetoin
Acetoin
ME649808
179
C00810
1.3232287
-
Acetoin-1.6783701
Acetoin
ME649809
179
C00810
1.6783701
-
Acetoin-1.7853503
Acetoin
ME649810
179
C00810
1.7853503
-
Adenine
Adenine
ME649812
190
C00147
2.840489
-
Allantoin
Allantoin
ME649820
204
C01551
1.7603146
-
Allantoin-1.7900012
Allantoin
ME649821
204
C01551
1.7900012
-
Allantoin-2.1175833
Allantoin
ME649822
204
C01551
2.1175833
-
beta-Alanine
beta-Alanine
ME649843
239
C00099
6.4172173
-
beta-Alanine-6.940412
beta-Alanine
ME649844
239
C00099
6.940412
-
Benzene
Benzene
ME649837
241
C01407
3.0332863
-
Benzoicacid
Benzoic acid
ME649840
243
C00180
1.0924253
-
Benzylalcohol
Benzyl alcohol
ME649841
244
C00556
0.76808316
-
Pyrocatechol
Pyrocatechol
ME650054
289
C00090
0.7200275
-
Pyrocatechol-0.85550505
Pyrocatechol
ME650055
289
C00090
0.85550505
-
Hydrogensulfide
-
ME649942
402
C00283
1.9648969
-
Imidazolone
Imidazolone
ME649949
504
C06195
0.6795811
-
Imidazolone-0.86869437
Imidazolone
ME649950
504
C06195
0.86869437
-
Imidazolone-1.0162789
Imidazolone
ME649951
504
C06195
1.0162789
-
Imidazolone-1.1786416
Imidazolone
ME649952
504
C06195
1.1786416
-
Imidazolone-1.2548895
Imidazolone
ME649953
504
C06195
1.2548895
-
Imidazolone-1.9733089
Imidazolone
ME649954
504
C06195
1.9733089
-
Imidazolone-2.0805917
Imidazolone
ME649955
504
C06195
2.0805917
-
Imidazolone-5.1180844
Imidazolone
ME649956
504
C06195
5.1180844
-
Imidazolone-5.360519
Imidazolone
ME649957
504
C06195
5.360519
-
Imidazolone-5.743238
Imidazolone
ME649958
504
C06195
5.743238
-
Creatinine
Creatinine
ME649861
588
C00791
4.0433984
-
Diacetyl
Diacetyl
ME649877
650
C00741
1.0189902
-
Diacetyl-1.7039394
Diacetyl
ME649878
650
C00741
1.7039394
-
Diacetyl-2.050988
Diacetyl
ME649879
650
C00741
2.050988
-
Diacetyl-2.811758
Diacetyl
ME649880
650
C00741
2.811758
-
dihydroxyacetonephosphate(DHAP)
Dihydroxyacetone phosphate
ME649882
668
C00111
0.8986267
-
Dihydroxyacetone(glycerone)
Dihydroxyacetone
ME649881
670
C00184
0.6733776
-
Glycine
Glycine
ME649919
750
C00037
6.4379444
-
glyceraldehyde
Glyceraldehyde
ME649916
751
C02154
5.133371
-
glyceraldehyde-5.612617
Glyceraldehyde
ME649917
751
C02154
5.612617
-
glyceraldehyde-5.743466
Glyceraldehyde
ME649918
751
C02154
5.743466
-
Hypoxanthine
Hypoxanthine
ME649947
790
C00262
2.6595235
-
3-IndoleaceticAcid
Indoleacetic acid
ME649752
802
C00954
1.1370255
-
Methylglyoxal
Pyruvaldehyde
ME649993
880
C00546
1.0146405
-
Methylglyoxal-2.8082385
Pyruvaldehyde
ME649994
880
C00546
2.8082385
-
Methylglyoxal-2.88404
Pyruvaldehyde
ME649995
880
C00546
2.88404
-
myo-Inositol
Myo-inositol
ME650006
892
C00137
2.6492534
-
myo-Inositol-2.7986326
Myo-inositol
ME650007
892
C00137
2.7986326
-
N-Acetylarylamine
N-Acetylarylamine
ME650013
904
C02558
3.033375
-
Glutathione,oxidized
Oxidized glutathione
ME649913
975
C00127
2.0623286
-
PantothenicAcid
Pantothenic acid
ME650028
988
C00864
2.5287268
-
Phenol
Phenol
ME650031
996
C00146
0.76374656
-
Phenol-0.98422074
Phenol
ME650032
996
C00146
0.98422074
-
Phenol-1.2099077
Phenol
ME650033
996
C00146
1.2099077
-
Phenol-1.9744366
Phenol
ME650034
996
C00146
1.9744366
-
Phenol-2.0737092
Phenol
ME650035
996
C00146
2.0737092
-
Purine
Purine
ME650048
1044
C00465
0.9124364
-
Purine-1.0046674
Purine
ME650049
1044
C00465
1.0046674
-
Purine-1.9905083
Purine
ME650050
1044
C00465
1.9905083
-
Purine-5.6426544
Purine
ME650051
1044
C00465
5.6426544
-
Pyridoxinephosphate
Pyridoxine 5'-phosphate
ME650053
1055
C00627
5.6192846
-
Pyruvicacid
Pyruvic acid
ME650060
1060
C00022
3.2806258
-
Sulfite
-
ME650084
1100
C00094
0.8984504
-
Succinicacid
Succinic acid
ME650072
1110
C00042
1.969959
-
Taurine
Taurine
ME650088
1123
C00245
5.286678
-
Uracil
Uracil
ME650104
1174
C00106
1.6298225
-
Uricacid
Uric acid
ME650105
1175
C00366
2.9065502
-
Uricacid-3.5087256
Uric acid
ME650106
1175
C00366
3.5087256
-
Xanthine
Xanthine
ME650112
1188
C00385
1.9261475
-
Xanthine-1.9075025
Xanthine
ME650113
1188
C00385
1.9075025
-
13,14-dihydro-15-keto-PGF2alpha
13,14-Dihydro-15-keto-PGF2alpha
ME649666
1427
-
1.1484665
-
5-Hydroxyindoleaceticacid
5-Hydroxyindoleacetic acid
ME649780
1826
C05635
3.7256978
-
5-Methoxytryptamine
5-Methoxytryptamine
ME649783
1833
C05659
0.7196485
-
altretamine
Altretamine
ME649826
2123
-
1.1276245
-
BEPRIDIL
Bepridil
ME649842
2351
C06847
1.0803992
-
Embelin
Embelin
ME649890
3218
C10342
0.96899056
-
Embelin-0.6724296
Embelin
ME649891
3218
C10342
0.6724296
-
Embelin-1.0966722
Embelin
ME649892
3218
C10342
1.0966722
-
Embelin-1.1010922
Embelin
ME649893
3218
C10342
1.1010922
-
Embelin-1.2989117
Embelin
ME649894
3218
C10342
1.2989117
-
Embelin-1.9788442
Embelin
ME649895
3218
C10342
1.9788442
-
Embelin-5.037233
Embelin
ME649896
3218
C10342
5.037233
-
Fexofenadine
Fexofenadine
ME649899
3348
C06999
5.3664465
-
Fluorescein
Fluorescein
ME649901
3383
-
1.2065514
-
Glutaral(Glutaraldehyde)
Glutaral
ME649911
3485
C12518
1.4710878
-
Glutaral(Glutaraldehyde)-1.5232061
Glutaral
ME649912
3485
C12518
1.5232061
-
hydroxyurea
Hydroxyurea
ME649946
3657
C07044
1.0950309
-
3-Indolepropionicacid
3-Indolepropionic acid
ME649753
3744
-
1.1133493
-
Lorazepam
Lorazepam
ME649982
3958
C07082
2.5132167
-
Lorazepam-2.5770097
Lorazepam
ME649983
3958
C07082
2.5770097
-
Lorazepam-2.8015165
Lorazepam
ME649984
3958
C07082
2.8015165
-
Lorazepam-2.8234196
Lorazepam
ME649985
3958
C07082
2.8234196
-
Losartan
Losartan
ME649986
3961
C07072
1.1302978
-
METHYLMETHANESULFONATE
Methyl methanesulfonate
ME649997
4156
C19181
1.0318335
-
Oxybenzone
Oxybenzone
ME650027
4632
C14285
0.73585606
-
Paraxanthine
Paraxanthine
ME650029
4687
C13747
1.3485756
-
4-Hydroxybenzenesulfonicacid
4-Hydroxybenzenesulfonic acid
ME649764
4765
C12849
0.76401365
-
PICROTIN
Picrotin
ME650041
4815
C09528
1.3706657
-
Pirenzepine
Pirenzepine
ME650042
4848
C07508
0.71852124
-
Stearicacid
Stearic acid
ME650071
5281
C01530
1.9773781
-
SULFAGUANIDINE
Sulfaguanidine
ME650079
5324
-
0.76679707
-
Sulfisoxazole
Sulfisoxazole
ME650082
5344
C07318
5.7474947
-
Sulfisoxazole-5.819529
Sulfisoxazole
ME650083
5344
C07318
5.819529
-
D-Glucose
Glucose
ME649873
5793
C00031
2.8538663
-
Aldosterone
Aldosterone
ME649819
5839
C01780
1.1399866
-
PenicillinG
Penicillin G
ME650030
5904
C05551
1.6263393
-
L-Serine
Serine
ME649987
5951
C00065
6.4827104
-
Testosteronesulfate
Testosterone sulfate
ME650089
6013
C00535
0.73068523
-
Testosteronesulfate-0.8743172
Testosterone sulfate
ME650090
6013
C00535
0.8743172
-
Uridine
Uridine
ME650107
6029
C00299
1.6307926
-
Uridine-2.1736543
Uridine
ME650108
6029
C00299
2.1736543
-
Leucine
Leucine
ME649977
6106
C00123
5.7464194
-
Methionine
Methionine
ME649991
6137
C00073
5.831782
-
Phenylalanine
Phenylalanine
ME650036
6140
C00079
5.633248
-
Valine
Valine
ME650109
6287
C00183
6.0137157
-
Tryptophan
Tryptophan
ME650100
6305
C00078
5.5246377
-
Isoleucine
Isoleucine
ME649968
6306
C00407
5.8197074
-
3-Methylindole
3-Methylindole
ME649754
6736
C08313
1.1330287
-
3-Methylindole-1.1832753
3-Methylindole
ME649755
6736
C08313
1.1832753
-
3-Methylindole-1.2864306
3-Methylindole
ME649756
6736
C08313
1.2864306
-
1-Hydroxy-2-naphthoicacid
1-Hydroxy-2-naphthoate
ME649683
6844
C03203
2.9644578
-
Veratricacid
3,4-Dimethoxybenzoic acid
ME650111
7121
-
2.9190083
-
2,4-DINITROPHENOL
2,4-Dinitrophenol
ME649699
7321
C02496
0.9846137
-
Pyroglutamicacid
Pyroglutamic acid
ME650058
7405
C01879
5.8403783
-
2-Hydroxyethanesulfonate
2-Hydroxyethanesulfonate
ME649711
7866
C05123
2.3441699
-
Succinicanhydride
Succinic anhydride
ME650073
7922
C19524
1.8542818
-
Succinicanhydride-1.970287
Succinic anhydride
ME650074
7922
C19524
1.970287
-
Succinicanhydride-2.0484898
Succinic anhydride
ME650075
7922
C19524
2.0484898
-
Tetrahydrofuran
Tetrahydrofuran
ME650092
8028
-
2.6385953
-
,4-Dimethoxyphenethylamine
3,4-Dimethoxyphenylethylamine
ME649655
8421
-
1.1542326
-
n-HexanoicAcid
Caproic acid
ME650018
8892
C01585
1.1988914
-
Rhein
Rhein
ME650062
10168
C10401
0.72093636
-
Indoxylsulfuricacid
Indoxyl sulfate
ME649960
10258
-
0.7976442
-
Hexadecanedioicacid
Hexadecanedioic acid
ME649940
10459
C08260
1.1045593
-
Hydroxyhydroquinone
1,2,4-Trihydroxybenzene
ME649945
10787
C02814
0.7137565
-
alpha-hydroxyisobutyrate
2-Hydroxyisobutyric acid
ME649823
11671
-
1.3960711
-
alpha-hydroxyisobutyrate-2.6837463
2-Hydroxyisobutyric acid
ME649824
11671
-
2.6837463
-
alpha-hydroxyisobutyrate-2.909506
2-Hydroxyisobutyric acid
ME649825
11671
-
2.909506
-
Dimethylmalonicacid
Dimethylmalonic acid
ME649883
11686
-
1.6643486
-
Pyrrole-2-carboxylicacid
Pyrrole-2-carboxylic acid
ME650059
12473
C05942
1.6329186
-
Dodecanedioicacid
Dodecanedioic acid
ME649885
12736
C02678
1.1351066
-
5-Methoxyindoleacetate
5-Methoxyindoleacetic acid
ME649781
18986
C05660
2.794817
-
5-Methoxyindoleacetate-3.1318412
5-Methoxyindoleacetic acid
ME649782
18986
C05660
3.1318412
-
Megestrol
Megestrol
ME649989
19090
C07120
1.0142528
-
Desmosine
Desmosine
ME649872
25435
-
5.347451
-
Glucoheptonicacid
Glucoheptonic acid
ME649908
25588
-
1.6471126
-
Glucoheptonicacid-5.512869
Glucoheptonic acid
ME649909
25588
-
5.512869
-
DIACERIN
Diacerin
ME649876
26248
-
1.1384807
-
7-Ethoxycoumarin
7-Ethoxycoumarin
ME649792
35703
C11052
2.0301783
-
Acipimox
Acipimox
ME649811
39880
-
2.1734312
-
Nedocromil
Nedocromil
ME650015
50294
C07255
2.0651433
-
1-Methylinosine
1-Methylinosine
ME649686
65095
-
2.3049655
-
Arbekacin
Arbekacin
ME649830
68682
-
1.0518692
-
1-Methyluricacid
1-Methyluric acid
ME649687
69726
C16359
2.3149905
-
1,3-Dimethyluricacid
1,3-Dimethyluric acid
ME649659
70346
-
1.8873104
-
Adriamycinone
Adriamycinone
ME649813
72401
-
2.0462294
-
6-Hydroxynicotinicacid
6-Hydroxynicotinic acid
ME649789
72924
C01020
1.0651219
-
9-Hydroxyfluorene
Fluoren-9-ol
ME649802
74318
C06711
3.2331228
-
O-BENZYL-l-SERINE
-
ME650019
78457
-
1.0381427
-
2-Phthalimidoglutaricacid
2-Phthalimidoglutaricacid
ME649726
92225
-
0.71199334
-
5,6-Dihydrouridine
5,6-Dihydrouridine
ME649774
94312
-
1.7671926
-
1-Methylguanosine
1-Methylguanosine
ME649684
96373
C04545
1.9837152
-
1-Methylguanosine-2.064858
1-Methylguanosine
ME649685
96373
C04545
2.064858
-
KARANJIN
Karanjin
ME649970
100633
-
0.7166453
-
Sedoheptulose
Glucoheptulose
ME650066
102926
C02076
2.0383706
-
Lactate
Lactic acid
ME649974
107689
C00186
5.0300746
-
Lacticacid
Lactic acid
ME649975
107689
C00186
1.9757944
-
2-Deoxyglucose
2-Deoxy-glucose
ME649707
108223
C00586
2.036492
-
Lithocholicacidglycineconjugate
Glycolithocholic acid
ME649981
115245
C15557
2.974716
-
ProtoporphyrinogenIX
Protoporphyrinogen IX
ME650047
121893
C01079
1.0587655
-
Asymmetricdimethylarginine
Dimethylarginine
ME649835
123831
C03626
1.1507673
-
SULBACTAM
Sulbactam
ME650076
130313
C07770
1.8774685
-
SULBACTAM-1.9685525
Sulbactam
ME650077
130313
C07770
1.9685525
-
Castasterone
Castasterone
ME649854
133534
-
1.071958
-
4-hydroxypelargonicacid
4-Hydroxypelargonic acid
ME649767
134653
-
1.1687995
-
Proline
Proline
ME650045
145742
C00148
6.310979
-
5,8-Dihydroxy-3,4-dihydrocarbostyril
5,8-Dihydroxy-3,4-dihydrocarbostyril
ME649776
151565
-
3.0330853
-
Gulonicacid
Gulonic acid
ME649939
152304
C00800
1.9729458
-
Pregnenolonesulfate
Pregnenolone sulfate
ME650043
152971
C18044
0.85947645
-
O-Desmethylnaproxen
O-Desmethylnaproxen
ME650020
162920
-
0.79811
-
O-Desmethylnaproxen-1.3922814
O-Desmethylnaproxen
ME650021
162920
-
1.3922814
-
O-Desmethylnaproxen-1.5370189
O-Desmethylnaproxen
ME650022
162920
-
1.5370189
-
12alpha-Hydroxy-3-oxochola-4,6-dien-24-oicAcid
12alpha-Hydroxy-3-oxochola-4,6-dien-24-oic acid
ME649664
166839
C15569
1.1815183
-
7-Hydroxyoctanoicacid
7-Hydroxyoctanoic acid
ME649794
167627
-
1.1837934
-
2-Methyl-3-ketovalericacid
2-Methyl-3-ketovaleric acid
ME649721
189028
-
2.3682227
-
Dehydroascorbicacid
Dehydroascorbic acid
ME649870
210328
C00425
1.7034948
-
Dehydroascorbicacid-1.9808468
Dehydroascorbic acid
ME649871
210328
C00425
1.9808468
-
Cortisone
Cortisone
ME649860
222786
C00762
1.1837922
-
OLEANDRIN
Oleandrin
ME650023
261943
-
1.0416644
-
3-hydroxy-hexadecanoicacid
3-Hydroxyhexadecanoic acid
ME649750
301590
-
1.9780709
-
Lactaldehyde
Lactaldehyde
ME649971
439231
C00424
1.3959256
-
Lactaldehyde-1.8610281
Lactaldehyde
ME649972
439231
C00424
1.8610281
-
Lactaldehyde-1.969307
Lactaldehyde
ME649973
439231
C00424
1.969307
-
3-Dehydroquinicacid
3-Dehydroquinate
ME649745
439351
C00944
3.099565
-
D-Leucicacid
D-Leucic acid
ME649884
439960
C03264
1.3369706
-
3-Amino-3-(4-hydroxyphenyl)propanoate
beta-Tyrosine
ME649739
440311
C04368
5.8244147
-
4-amino-4-cyano-butanoicacid
4-Amino-4-cyano-butanoic acid
ME649762
440769
C05715
2.963134
-
D-Urobilinogen
D-Urobilinogen
ME649888
440784
C05791
1.094709
-
2-oxo-4-hydroxy-hexanoicacid
2-Oxo-4-hydroxyhexanoic acid
ME649725
441164
C06762
1.4825152
-
Limonene-1,2-epoxide
Limonene-1,2-epoxide
ME649980
441245
C07271
1.14834
-
MERBROMIN
-
ME649990
441373
-
5.484541
-
Ecgonine
Ecgonine
ME649889
443003
C10858
6.586993
-
2-Methoxyestrone3-glucuronide
2-Methoxyestrone 3-glucuronide
ME649720
443077
C11132
1.1614476
-
7-Dehydrologanintetraacetate
7-Dehydrologanin tetraacetate
ME649791
443349
C11668
0.86618453
-
GibberellinA9
Gibberellin A9
ME649905
443456
C11863
1.9781137
-
Fumaricacid
Fumaric acid
ME649902
444972
C00122
1.0116215
-
N-Acetylgalactosamine4-sulphate
N-Acetylglucosamine
ME650014
446101
C16265
1.3014522
-
Sulfolithocholicacid
Lithocholic acid sulfate
ME650085
451489
-
0.90677226
-
Oxolan-3-one
Oxolan-3-one
ME650024
529392
-
1.9681368
-
p-HYDROXYCINNAMALDEHYDE
(E)-3-(4-Hydroxyphenyl)-2-propenal
ME650038
641301
C05608
5.633702
-
Citraconicacid
Citraconic acid
ME649857
643798
C02226
1.0182341
-
Citraconicacid-1.7039735
Citraconic acid
ME649858
643798
C02226
1.7039735
-
Citraconicacid-2.0528214
Citraconic acid
ME649859
643798
C02226
2.0528214
-
Flavinadeninedinucleotide(FAD)
FAD
ME649900
643975
C00016
0.75971276
-
Galactosylglycerol
Galactosylglycerol
ME649903
656504
C05401
1.7645906
-
2,5-Dimethoxycinnamicacid
2,5-Dimethoxycinnamic acid
ME649700
697594
-
2.0524392
-
Chlorogenicacid
Chlorogenic acid
ME649855
1794427
C00852
2.115735
-
D-Homoserine
D-Homoserine
ME649874
2724170
-
3.758797
-
D-Homoserine-6.4196935
D-Homoserine
ME649875
2724170
-
6.4196935
-
Tetracosanedioicacid
Tetracosanedioic acid
ME650091
2724554
-
1.0499178
-
DEACETYLGEDUNIN
Deacetylgedunin
ME649869
3034112
-
1.0943528
-
Pyrocatecholsulfate
Catechol sulfate
ME650056
3083879
-
0.7170893
-
Sulfate
Sulfate
ME650080
5152822
C00059
0.8588563
-
Sulfate-0.9545675
-
ME650081
5152822
C00059
0.9545675
-
Bilirubin
Bilirubin
ME649847
5280352
C00486
1.057554
-
Bilirubin-1.1929219
Bilirubin
ME649848
5280352
C00486
1.1929219
-
BiliverdinIX
Biliverdin
ME649849
5280353
C00500
1.4790128
-
BiliverdinIX-1.1844323
Biliverdin
ME649850
5280353
C00500
1.1844323
-
BiliverdinIX-1.6412624
Biliverdin
ME649851
5280353
C00500
1.6412624
-
ThromboxaneA2
TXA2
ME650094
5280497
C02198
1.9782016
-
Glutaconicacid
Glutaconic acid
ME649910
5280498
C02214
0.70615107
-
LeukotrieneD4
LTD4
ME649979
5280878
C05951
1.0574119
-
ABSCISICACID(cis,trans)
Abscisic acid
ME649804
5280896
C06082
1.1076537
-
5-octadecylenicacid
6-Octadecylenic acid
ME649784
5281125
C08363
1.036988
-
CucurbitacinB
Cucurbitacin B
ME649862
5281316
C08794
1.0716493
-
Methyljasmonate
Methyl jasmonate
ME649996
5281929
C11512
1.1384115
-
2-Naphthaleneaceticacid,6-hydroxy-
2-Octenoic acid
ME649723
5282713
-
0.8183757
-
2-Naphthaleneaceticacid,6-hydroxy--2.938551
2-Octenoic acid
ME649724
5282713
-
2.938551
-
9-lauroleicacid
9-Dodecenoic acid
ME649803
5282733
-
1.0935645
-
7-palmitoleicacid
7-Palmitoleic acid
ME649796
5282744
-
1.0476359
-
9,12,14-octadecatrienoicacid
9,12,14-Octadecatrienoic acid
ME649797
5282821
-
1.045978
-
16-hydroperoxy-9Z,12,14E-octadecatrienoicacid
16-HpOTrE
ME649670
5282867
-
1.105705
-
4-hydroxylauricacid
4-Hydroxylauric acid
ME649766
5282900
-
1.1419818
-
9,13-dihydroxy-11-octadecenoicacid
9,13-DiHOME(11)
ME649800
5282960
-
1.094612
-
bicyclo-PGE2
Bicyclo-PGE2
ME649845
5283043
-
1.115684
-
11-deoxy-16,16-dimethyl-PGE2
11-Deoxy-16,16-dimethyl-PGE2
ME649663
5283063
-
1.0971456
-
11-deoxy-11-methylene-15-keto-PGD2
11-Deoxy-11-methylene-15-keto-PGD2
ME649662
5283096
-
1.1012552
-
10,11-epoxy-chlorovuloneI
10,11-Epoxy-chlorovulone I
ME649660
5283226
-
1.1828774
-
3,6,8-dodecatrien-1-ol
3,6,8-Dodecatrien-1-ol
ME649731
5283307
-
1.1378945
-
1-heneicosanoyl-2-(4Z,7Z,10Z,13Z,16Z,19Z-docosahex...
-
ME649682
5283494
-
4.9983063
-
1-O-(1Z-hexadecenyl)-2-(4Z,7Z,10Z,13Z,16Z,19Z-doco...
-
ME649688
5283497
-
4.3992996
-
1alpha,25-dihydroxy-24-oxovitaminD_3/1alpha,25-dih...
1alpha,25-Dihydroxy-24-oxovitamin D3
ME649675
5283703
-
1.1490929
-
(20S)-1alpha,20,25-trihydroxyvitaminD_3/(20S)-1alp...
(20S)-1alpha,20,25-Trihydroxyvitamin D3
ME649645
5283754
-
1.0617081
-
3beta,4beta-Dihydroxy-5beta-cholan-24-oicAcid
3beta,4beta-Dihydroxy-5beta-cholan-24-oic acid
ME649740
5283819
-
1.0726275
-
Murocholicacid
Murideoxycholic acid
ME650004
5283821
C15515
1.1996591
-
Murocholicacid-1.3160549
Murideoxycholic acid
ME650005
5283821
C15515
1.3160549
-
3beta,6alpha,7beta-Trihydroxy-5beta-cholan-24-oicA...
3beta,6alpha,7beta-Trihydroxy-5beta-cholan-24-oic acid
ME649741
5283855
-
1.6285249
-
3beta,7beta-Dihydroxy-12-oxo-5beta-cholan-24-oicAc...
3beta,7beta-Dihydroxy-12-oxo-5beta-cholan-24-oic acid
ME649742
5283947
-
1.1138719
-
2beta,3beta-Dihydroxy-6-oxo-5alpha-chol-7-en-24-oi...
2beta,3beta-Dihydroxy-6-oxo-5alpha-chol-7-en-24-oic acid
ME649706
5284064
-
0.91441786
-
3,7,12-Trioxochola-1,5-dien-24-oicAcid
3,7,12-Trioxochola-1,5-dien-24-oic acid
ME649732
5284111
-
0.89559305
-
7alpha-Hydroxy-3,12-dioxochola-1,4-dien-24-oicAcid
7alpha-Hydroxy-3,12-dioxochola-1,4-dien-24-oic acid
ME649790
5284135
-
0.97457534
-
3alpha,6alpha,7alpha,12alpha-Tetrahydroxy-5beta-ch...
3alpha,6alpha,7alpha,12alpha-Tetrahydroxy-5beta-cholest-24-en-26-oic acid
ME649736
5284281
-
1.9827243
-
3alpha,7alpha,12alpha,24-tetrahydroxy-24-methyl-5b...
3alpha,7alpha,12alpha,24-Tetrahydroxy-24-methyl-5beta-cholestan-26-oic acid
ME649737
5284295
-
1.1128896
-
3alpha,7alpha,12alpha-Trihydroxy-24-methyl-5beta-c...
3alpha,7alpha,12alpha-Trihydroxy-24-methyl-5beta-cholest-23-en-26-oic acid
ME649738
5284297
-
1.0882423
-
13E,17-octadecadienoicacid
13E,17-Octadecadienoic acid
ME649667
5312454
-
1.0413829
-
4Z,7Z,10Z,13Z-eicosatetraenoicacid
4Z,7Z,10Z,13Z-Eicosatetraenoic acid
ME649769
5312539
-
1.03782
-
4-dodecynoicacid
4-Dodecynoic acid
ME649763
5312607
-
1.0778736
-
5-oxo-7-decynoicacid
5-Oxo-7-Decynoic acid
ME649786
5312701
-
1.1264654
-
10-hydroxy-11-dodecenoicacid
10-Hydroxy-11-dodecenoic acid
ME649661
5312746
-
0.8983302
-
9-hydroxy-5Z-nonenoicacid
9-Hydroxy-5Z-nonenoic acid
ME649801
5312793
-
1.1237096
-
6-hydroxy-2-hexynoicacid
6-Hydroxy-2-hexynoic acid
ME649788
5312826
-
1.3172461
-
12-oxo-10Z-dodecenoicacid
12-Oxo-10Z-dodecenoic acid
ME649665
5312890
-
1.041643
-
Erythrono-1,4-lactone
Erythrono-1,4-lactone
ME649898
5325915
-
1.8614404
-
Rhodovibrin
Rhodovibrin
ME650063
5366505
C15878
1.1201994
-
Anhydrorhodovibrin
Anhydrorhodovibrin
ME649828
5368308
C15877
1.0739485
-
7-Hydroxymethotrexate
7-Hydroxymethotrexate
ME649793
5385077
-
2.02745
-
Spheroidene
Spheroidene
ME650070
6368932
C15900
1.071129
-
Cilastatin
Cilastatin
ME649856
6435415
C01675
5.6345115
-
Isoacitretin
Isoacitretin
ME649961
6437841
-
0.66905
-
Isoacitretin-0.9586385
Isoacitretin
ME649962
6437841
-
0.9586385
-
Isoacitretin-1.2870859
Isoacitretin
ME649963
6437841
-
1.2870859
-
Isoacitretin-1.4615195
Isoacitretin
ME649964
6437841
-
1.4615195
-
Isoacitretin-1.974581
Isoacitretin
ME649965
6437841
-
1.974581
-
Isoacitretin-2.0960872
Isoacitretin
ME649966
6437841
-
2.0960872
-
Isoacitretin-2.8331037
Isoacitretin
ME649967
6437841
-
2.8331037
-
Tuberonicacid
Tuberonic acid
ME650102
6443968
-
1.1591611
-
N-formylmethionine
N-Formylmethionine
ME650016
6995182
C03145
3.591544
-
2-methyl-tridecanedioicacid
2-Methyl-tridecanedioic acid
ME649722
9543658
-
1.120237
-
(24R)-1alpha,24,25-trihydroxyvitaminD2/(24R)-1alph...
(24R)-1alpha,24,25-Trihydroxyvitamin D2
ME649650
9547253
-
1.0715641
-
(24R)-1alpha,24,25,26-tetrahydroxyvitaminD2/(24R)-...
-
ME649649
9547255
-
1.0868175
-
(23S,25R)-25-hydroxyvitaminD326,23-lactone/(23S,25...
-
ME649648
9547362
-
1.0543878
-
(23S)-1alpha,23,25-trihydroxy-24-oxovitaminD3/(23S...
-
ME649647
9547406
-
1.1854628
-
(5E,10Z)-19-fluoro-1alpha-hydroxyvitamin-D3/(5E,10...
-
ME649653
9547416
-
1.101268
-
(6S)-1alpha,25-dihydroxyvitaminD36,19-sulfurdioxid...
-
ME649654
9547454
-
0.83305955
-
1alpha,25-dihydroxy-26,27-dimethyl-22-oxavitaminD3...
-
ME649676
9547495
-
1.0609653
-
(22S)-1alpha,22,25-trihydroxy-23,24-tetradehydro-2...
-
ME649646
9547509
-
1.0235429
-
(5E,10E)-19-(3-carboxylpropyl)vitaminD3/(5E,10E)-1...
-
ME649652
9547598
-
1.0720414
-
1alpha,25-dihydroxy-2beta-butoxyvitaminD3/1alpha,2...
-
ME649678
9547613
-
1.0866407
-
1alpha,25-dihydroxy-2beta-(5-hydroxypentoxy)vitami...
-
ME649677
9547631
-
1.0808723
-
1alpha,2beta,25-trihydroxy-19-norvitaminD3/1alpha,...
-
ME649679
9547650
-
1.0598123
-
1alpha-hydroxy-18-[m-(1-hydroxy-1-ethylpropyl)-ben...
-
ME649680
9547685
-
1.1291435
-
Glc-GP(18:0/20:4(5Z,8Z,11Z,14Z))
-
ME649906
9776846
-
4.3817167
-
p-Hydroxyfelbamate
p-Hydroxyfelbamate
ME650039
9921310
C16584
0.8101515
-
2-Ethylisonicotinicacid
2-Ethylisonicotinicacid
ME649708
10125075
-
2.077039
-
3D,7D,11D-Phytanicacid
Phytanic acid
ME649744
10380830
-
1.1209038
-
(20R)-24-Hydroxy-19-norgeminivitaminD3
-
ME649644
11214329
-
1.1085252
-
(+/-)-13-HDoHE
13-HDoHE
ME649643
11559259
-
1.1338651
-
Glycoursodeoxycholicacid
Glycoursodeoxycholic acid
ME649920
12310288
-
4.6477585
-
Glycoursodeoxycholicacid-4.8044558
Glycoursodeoxycholic acid
ME649921
12310288
-
4.8044558
-
3-Hydroxy-2-methyl-[R-(R,S)]-butanoicacid
-
ME649748
12313370
-
1.3245307
-
3-Hydroxy-2-methyl-[R-(R,S)]-butanoicacid-1.497357
-
ME649749
12313370
-
1.497357
-
24,24-Difluoro-25-hydroxy-26,27-dimethylvitaminD3
-
ME649703
13960169
-
1.1228304
-
20alpha-Dihydroprednisolone
20alpha-dihydroprednisolone
ME649701
13962391
-
1.1947172
-
Indoleacrylicacid
Indoleacrylic acid
ME649959
15030923
C00331
5.4220405
-
20-ethyl-PGE2
20-Ethyl-PGE2
ME649702
16061106
-
1.9777673
-
2,4-DICHLOROPHENOXYACETICACID
2,4-Dichlorophenoxyacetic acid
ME649696
18790815
-
5.057539
-
OXOLINICACID
Oxolinicacid
ME650025
18972857
-
5.831707
-
OXOLINICACID-0.71193755
Oxolinicacid
ME650026
18972857
-
0.71193755
-
27-nor-5b-cholestane-3a,7a,12a,24,25-pentol
27-Nor-5beta-cholestane-3alpha,7alpha,12alpha,24,25-pentol
ME649705
21252278
-
1.0713024
-
3-Methylpimelicacid
3-Methylpimelic acid
ME649757
21510350
-
1.3004075
-
3-Hydroxysubericacid
3-Hydroxysuberic acid
ME649751
22328017
-
2.1937191
-
1-(8-[3]-ladderane-octanoyl)-2-(8-[3]-ladderane-oc...
-
ME649656
24779540
-
4.3751736
-
Dodecaprenylphosphate-galacturonicacid
Dodecaprenyl phosphate-galacturonic acid
ME649886
24779569
-
1.0692749
-
25-Hydroxy[26,27-methyl]vitaminD33beta-(1,2-epoxyp...
25-Hydroxy[26,27-methyl]vitamin D3 3beta-(1,2-epoxypropyl)ether
ME649704
24779631
-
1.0803721
-
1-Fluoro-25-hydroxy-16-ene-23-yne-26,27-hexadeuter...
-
ME649681
24779633
-
1.105035
-
VD2656
-
ME650110
24779636
-
3.518252
-
Ibuprofen
Ibuprofen
ME649948
24848017
C01588
1.1520036
-
PRISTIMEROL
Pristimerol
ME650044
24861846
-
0.8229761
-
3-ACETOXYPREGN-16-EN-12,20-DIONE
3-Acetoxypregn-16-en-12,20-dione
ME649735
25134274
-
1.1170511
-
Sulfolithocholylglycine
Sulfoglycolithocholic acid
ME650086
53477756
C11301
2.7826781
-
Sulfolithocholylglycine-2.94846
Sulfoglycolithocholic acid
ME650087
53477756
C11301
2.94846
-
Acenocoumarol
Acenocoumarol
ME649805
54676537
-
0.7463348
-
Pyrazinoicacid
Pyrazine-2-carboxylic ccid
ME650052
57429767
-
2.0221958
-
Rimiterol
-
ME650064
70685132
-
2.3007023
-
1,2-di-(9Z-octadecenoyl)-sn-glycero-3-phospho-(1'-...
PI 18:1/18:1
ME649657
-
-
4.4627542
-
1,2-Didecanoyl-glycerol(10:0)
-
ME649658
-
-
1.094426
-
13S-hydroxy-9E,11Z-octadecadienoicacid
-
ME649668
-
-
1.0762618
-
16a-Hydroxyprednisolone16,17-acetonide
-
ME649669
-
-
1.0349822
-
17a-Ethynylestradiol2-glucuronide
-
ME649671
-
-
0.86337614
-
17-alpha,21-dihydroxy-11,20-dioxo-5-beta-pregnan-3...
-
ME649672
-
-
4.793106
-
19-hydroxy-17-oxoandrost-5-en-3-beta-ylsulfate
-
ME649673
-
-
0.9324594
-
1alpha,25-Dihydroxy-2-[3'-(methoxymethoxy)propylid...
-
ME649674
-
-
1.1120329
-
2,3-DIACETOXY-7,8-EPOXY-24,29-DINOR-1,3,5-FRIEDELA...
-
ME649689
-
-
0.933039
-
2,3-Dichloro-4-(a-hydroxy-2-thenyl)phenoxyaceticac...
-
ME649690
-
-
5.4836683
-
2,3-Dihydroxy-3-methylvalericacid
2,3-Dihydroxy-3-methylvaleric acid
ME649691
-
-
1.7447208
-
2,3-Naphthalenedicarboxylicacid
-
ME649694
-
-
2.034844
-
2,3-Naphthalenedicarboxylicacid-2.6398537
-
ME649695
-
-
2.6398537
-
2,4-DICHLOROPHENOXYACETICACID,ISOOCTYLESTER
-
ME649697
-
-
5.191368
-
2,4-DICHLOROPHENOXYBUTYRICACID,METHYLESTER
-
ME649698
-
-
0.8353996
-
2-Hydroxy-3-(4-methoxyethylphenoxy)-propanoicacid
-
ME649709
-
-
1.1451603
-
2-Hydroxy-3-(4-methoxyethylphenoxy)-propanoicacid-...
-
ME649710
-
-
1.2696713
-
2-Hydroxyethinylestradiol
2-Hydroxyethinylestradiol
ME649712
-
-
0.96931946
-
2-Hydroxyethinylestradiol-0.6810523
2-Hydroxyethinylestradiol
ME649713
-
-
0.6810523
-
2-Hydroxyethinylestradiol-0.9149169
2-Hydroxyethinylestradiol
ME649714
-
-
0.9149169
-
2-Hydroxyethinylestradiol-1.2492456
2-Hydroxyethinylestradiol
ME649715
-
-
1.2492456
-
2-Hydroxyethinylestradiol-1.3930613
2-Hydroxyethinylestradiol
ME649716
-
-
1.3930613
-
2-Hydroxyethinylestradiol-1.9749593
2-Hydroxyethinylestradiol
ME649717
-
-
1.9749593
-
2-Hydroxyethinylestradiol-2.0970936
2-Hydroxyethinylestradiol
ME649718
-
-
2.0970936
-
2-Hydroxyethinylestradiol-2.835231
2-Hydroxyethinylestradiol
ME649719
-
-
2.835231
-
2-propyl-tridecanoicacid
2-Propyl-tridecanoic acid
ME649727
-
-
1.0436639
-
2-propyl-tridecanoicacid-1.9773412
2-Propyl-tridecanoic acid
ME649728
-
-
1.9773412
-
2-Pyridylacetylglycine
-
ME649729
-
-
2.5335224
-
3,16-DIDEOXYMEXICANOLIDE-3alpha-DIOL
3,16-Dideoxymexicanolide-3alpha-diol
ME649730
-
-
1.0281539
-
3,9,15-Docosatriynoicacid
3,9,15-Docosatriynoic acid
ME649733
-
-
1.038693
-
3,9,15-Docosatriynoicacid-1.0828342
3,9,15-Docosatriynoic acid
ME649734
-
-
1.0828342
-
3beta-ACETOXYDEOXYANGOLENSICACID,METHYLESTER
-
ME649743
-
-
1.0496405
-
3E-undecenoicacid
3E-Undecenoic acid
ME649746
-
-
1.1367286
-
3E-undecenoicacid-1.2864791
3E-Undecenoic acid
ME649747
-
-
1.2864791
-
(3-Methoxy-4-hydroxyphenyl)ethyleneglycolsulfate
3-Methoxy-4-hydroxyphenylethyleneglycol sulfate
ME649651
-
-
0.9223508
-
3-NOR-3-OXOPANASINSAN-6-OL
-
ME649758
-
-
1.0447296
-
4,7,10,13,16-docosapentaenoicacid
4,7,10,13,16-Docosapentaenoic acid
ME649759
-
-
1.0354745
-
4,8-dimethyl-dodecanoicacid
4,8-Dimethyl-dodecanoic acid
ME649760
-
-
1.0579026
-
4,8-dimethyl-dodecanoicacid-1.9773146
4,8-Dimethyl-dodecanoic acid
ME649761
-
-
1.9773146
-
4-Hydroxybenzylcyanide
4-Hydroxybenzeneacetonitrile
ME649765
-
-
0.7988213
-
4-Hydroxypyridine
4-Pyridone
ME649768
-
-
0.83994824
-
5-[2-(hydroxymethyl)-5-methylphenoxy]-2,2-dimethyl...
-
ME649777
-
-
0.8247673
-
5-[2-(hydroxymethyl)-5-methylphenoxy]-2,2-dimethyl...
-
ME649778
-
-
1.9758611
-
5-(4-hydroxy-2,5-dimethylphenoxy)-2,2-dimethyl-Pen...
-
ME649772
-
-
1.1093004
-
5-(4-hydroxy-2,5-dimethylphenoxy)-2,2-dimethyl-Pen...
-
ME649773
-
-
1.2524415
-
5,7-nonadienoicacid
5,7-Nonadienoic acid
ME649775
-
-
1.2906189
-
5&946;-CHOLANICACID-3&945;,12&945;-DIOLN-(2-SULPHO...
-
ME649770
-
-
3.1585252
-
5&946;-CHOLANICACID-3&945;,12&945;-DIOLN-(2-SULPHO...
-
ME649771
-
-
3.2472885
-
5beta-Androstan-3alpha-ol-17-onesulfate
5beta-Androstan-3alpha-ol-17-one sulfate
ME649779
-
-
0.90735763
-
5-octadecylenicacid-1.9778987
6-Octadecylenic acid
ME649785
-
-
1.9778987
-
5-tert-Butyl-4-hydroxymethylfuran-2-carboxylicacid
-
ME649787
-
-
1.2865409
-
7-hydroxyTetranorIloprost
-
ME649795
-
-
2.7332869
-
9,12-dioxo-dodecanoicacid
9,12-Dioxo-dodecanoic acid
ME649798
-
-
1.1447043
-
9,12-dioxo-dodecanoicacid-1.2552382
9,12-Dioxo-dodecanoic acid
ME649799
-
-
1.2552382
-
a-hydroxybutyrate
2-Hydroxybutyric acid
ME649814
-
-
1.5372396
-
a-hydroxybutyrate-1.9751152
2-Hydroxybutyric acid
ME649815
-
-
1.9751152
-
a-hydroxyisovalerate
2-Hydroxy-3-methylbutyric acid
ME649816
-
-
2.8561862
-
AlaMetLys
Ala-Met-Lys
ME649817
-
-
5.7495112
-
AlaPheTrp
Ala-Phe-Trp
ME649818
-
-
1.1986392
-
ANGOLENSICACID,METHYLESTER
-
ME649827
-
-
0.9832484
-
Apionicacid
-
ME649829
-
-
1.6099983
-
ArgPheArg
Arg-Phe-Arg
ME649831
-
-
5.422476
-
AsnThrPhe
Asn-Thr-Phe
ME649832
-
-
1.0449896
-
AsnTyrMet
Asn-Tyr-Met
ME649833
-
-
1.1189972
-
AspAsnGlu
Asp-Asn-Glu
ME649834
-
-
5.1899123
-
b-D-Mannose6-phosphate
-
ME649836
-
-
5.8401194
-
Benzenemethanol,2-(2-aminopropoxy)-3-methyl-
-
ME649838
-
-
1.1501678
-
Benzenemethanol,2-(2-aminopropoxy)-3-methyl--1.270...
-
ME649839
-
-
1.2709796
-
Bifemelane(M4)
-
ME649846
-
-
0.78890985
-
B-ureidoisobutyricacid
-
ME649852
-
-
5.1901855
-
B-ureidoisobutyricacid-6.84278
-
ME649853
-
-
6.84278
-
CysTyrCys
Cys-Tyr-Cys
ME649863
-
-
1.632185
-
D1-2-Hydroxymethylethisterone
-
ME649864
-
-
0.942549
-
D1-2-Hydroxymethylethisterone-1.2735462
-
ME649865
-
-
1.2735462
-
D1-2-Hydroxymethylethisterone-1.9748375
-
ME649866
-
-
1.9748375
-
D1-2-Hydroxymethylethisterone-2.0968213
-
ME649867
-
-
2.0968213
-
D1-2-Hydroxymethylethisterone-2.831552
-
ME649868
-
-
2.831552
-
D-Phenyllacticacid
L-3-Phenyllactic acid
ME649887
-
-
1.1424824
-
EPIAFZELECHINTRIMETHYLETHER
-
ME649897
-
-
1.0149965
-
GemfibrozilM2
Gemfibrozil
ME649904
-
-
1.0981345
-
GlnTrpGln
Gln-Trp-Gln
ME649907
-
-
1.0953764
-
GluTyrTrp
Glu-Tyr-Trp
ME649914
-
-
1.4069428
-
GlyAsnTyr
Gly-Asn-Tyr
ME649915
-
-
5.634333
-
GlyGlyAsp
Gly-Gly-Asp
ME649922
-
-
0.959878
-
GlyHis
Gly-His
ME649923
-
-
1.7450609
-
GPEtn(16:0/18:2(9Z,12Z))
PE 16:0/18:2(9Z,12Z)*
ME649924
-
-
5.1730466
-
GPEtn(16:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))
PE 16:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)*
ME649925
-
-
4.4588428
-
GPEtn(18:0/0:0)
LPE 18:0/0:0
ME649926
-
-
6.507434
-
GPEtn(18:0/18:3(9Z,12Z,15Z))[U]
PE 18:0/18:3(9Z,12Z,15Z)*
ME649927
-
-
4.511561
-
GPEtn(18:0/20:4(5Z,8Z,11Z,14Z))[U]
PE 18:0/20:4(5Z,8Z,11Z,14Z)*
ME649928
-
-
4.451278
-
GPEtn(18:0/20:4(5Z,8Z,11Z,14Z))[U]-5.053175
PE 18:0/20:4(5Z,8Z,11Z,14Z)*
ME649929
-
-
5.053175
-
GPEtn(18:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))
PE 18:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)*
ME649930
-
-
5.0280805
-
GPEtn(18:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))-4.432728
PE 18:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)*
ME649931
-
-
4.432728
-
GPEtnNMe(16:0/18:1(9Z))
PE-NMe 16:0/18:1(9Z)
ME649934
-
-
5.1664915
-
GPEtnNMe(18:1(9Z)/18:1(9Z))[U]
-
ME649935
-
-
5.1252074
-
GPEtn(O-16:0/22:5(4Z,7Z,10Z,13Z,16Z))
PE O-16:0/22:5(4Z,7Z,10Z,13Z,16Z)*
ME649932
-
-
4.998763
-
GPEtn(O-16:0/22:5(4Z,7Z,10Z,13Z,16Z))-4.396363
PE O-16:0/22:5(4Z,7Z,10Z,13Z,16Z)*
ME649933
-
-
4.396363
-
GPGro(17:0/20:4(5Z,8Z,11Z,14Z))
PG 17:0/20:4(5Z,8Z,11Z,14Z)*
ME649936
-
-
5.1280026
-
GPSer(18:0/20:4(5Z,8Z,11Z,14Z))
PS 18:0/20:4(5Z,8Z,11Z,14Z)*
ME649937
-
-
5.1282353
-
GPSer(18:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))
PS 18:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)*
ME649938
-
-
5.05643
-
HisAsp
His-Asp
ME649941
-
-
2.85199
-
HYDROLYSISPRODUCTOFBUSSEIN
-
ME649943
-
-
2.0484884
-
HYDROLYSISPRODUCTOFBUSSEIN-1.1705549
-
ME649944
-
-
1.1705549
-
IsoquinolineN-oxide
-
ME649969
-
-
1.1098107
-
LactoneofPGF-MUM
-
ME649976
-
-
1.0661861
-
LeuGluGln
Leu-Glu-Gln
ME649978
-
-
1.0957959
-
LysCysHis
Lys-Cys-His
ME649988
-
-
0.9695936
-
MetHisLys
Met-His-Lys
ME649992
-
-
0.97909003
-
MetThrGly
Met-Thr-Gly
ME649998
-
-
5.7513504
-
Mono-N-depropylprobenecid
-
ME649999
-
-
2.0528283
-
m-Salicylicacid
3-Hydroxybenzoic acid
ME650000
-
-
0.83499223
-
m-Salicylicacid-0.9199291
3-Hydroxybenzoic acid
ME650001
-
-
0.9199291
-
m-Salicylicacid-0.9820459
3-Hydroxybenzoic acid
ME650002
-
-
0.9820459
-
m-Salicylicacid-1.2043693
3-Hydroxybenzoic acid
ME650003
-
-
1.2043693
-
N-Acetyl-5-aminosalicylicacid
-
ME650008
-
-
2.0751219
-
N-Acetyl-5-aminosalicylicacid-3.4608338
-
ME650009
-
-
3.4608338
-
N-Acetyl-5-aminosalicylicacid-3.5709836
-
ME650010
-
-
3.5709836
-
N-Acetyl-5-aminosalicylicacid-3.7375138
-
ME650011
-
-
3.7375138
-
N-Acetyl-5-hydroxysulfapyridine
-
ME650012
-
-
1.6307651
-
N-gamma-Acetyl-N-2-formyl-5-methoxykynurenamine
-
ME650017
-
-
5.1902246
-
PhePheTrp
Phe-Phe-Trp
ME650037
-
-
1.0454314
-
p-Hydroxyphenylbutazoneglucuronide
-
ME650040
-
-
1.1293881
-
Propionylglycinemethylester
-
ME650046
-
-
2.0610285
-
PYROGALLIN
1,2,3-Trihydroxybenzene
ME650057
-
-
1.9652464
-
QUERCETINTETRAMETHYL(5,7,3',4')ETHER
-
ME650061
-
-
0.85178286
-
SAPPANONEA7-METHYLETHER
-
ME650065
-
-
2.8755538
-
SerArgAla
Ser-Arg-Ala
ME650067
-
-
3.184251
-
SerAspGly
Ser-Asp-Gly
ME650068
-
-
5.640385
-
SerLysMet
Ser-Lys-Met
ME650069
-
-
5.6342783
-
Sulfadoxinesuflate
-
ME650078
-
-
1.4081211
-
TetranorIloprost
-
ME650093
-
-
1.1252035
-
ThrSerGln
Thr-Ser-Gln
ME650095
-
-
5.821634
-
TrpHisIle
Trp-His-Ile
ME650096
-
-
0.8830445
-
TrpLysTrp
Trp-Lys-Trp
ME650097
-
-
0.7181591
-
TrpLysTrp-1.0524514
Trp-Lys-Trp
ME650098
-
-
1.0524514
-
TrpTyrTyr
Trp-Tyr-Tyr
ME650099
-
-
1.1572134
-
TUBAICACID
-
ME650101
-
-
1.9707192
-
TyrArgLeu
Tyr-Arg-Leu
ME650103
-
-
3.7356267
-
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