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Return to study ST000047 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
2-KetoglutaricAcid
2-Oxoglutaric acid
ME650192
51
C00026
1.2352289
-
D-Glucose
Glucose
ME650370
5793
C00031
3.4027562
-
D-Glucose+3.6962345
Glucose
ME650371
5793
C00031
3.6962345
-
Glycine
Glycine
ME650426
750
C00037
1.2122759
-
Lysine
Lysine
ME650500
5962
C00047
0.80358905
-
Arginine
Arginine
ME650305
6322
C00062
0.8764598
-
L-Serine
Serine
ME650494
5951
C00065
1.1051059
-
Methionine
Methionine
ME650509
6137
C00073
1.3970598
-
Phenylalanine
Phenylalanine
ME650579
6140
C00079
1.247261
-
Phenylalanine+3.1124516
Phenylalanine
ME650580
6140
C00079
3.1124516
-
Phenylalanine+3.2762616
Phenylalanine
ME650581
6140
C00079
3.2762616
-
Tyrosine
Tyrosine
ME650641
6057
C00082
1.4670217
-
Tyrosine+1.775995
Tyrosine
ME650642
6057
C00082
1.775995
-
Urea
Urea
ME650646
1176
C00086
0.6430641
-
Urea+0.6992776
Urea
ME650647
1176
C00086
0.6992776
-
Urea+0.72563285
Urea
ME650648
1176
C00086
0.72563285
-
Urea+0.91156
Urea
ME650649
1176
C00086
0.91156
-
Urea+1.1698138
Urea
ME650650
1176
C00086
1.1698138
-
beta-Alanine
beta-Alanine
ME650318
239
C00099
0.8832818
-
D-Biotin
Biotin
ME650362
171548
C00120
3.222636
-
Leucine
Leucine
ME650474
6106
C00123
2.2567677
-
Leucine+3.3912697
Leucine
ME650475
6106
C00123
3.3912697
-
Histidine
Histidine
ME650440
6274
C00135
0.8409019
-
Histidine+0.8661965
Histidine
ME650441
6274
C00135
0.8661965
-
Histidine+1.047004
Histidine
ME650442
6274
C00135
1.047004
-
D-Proline
D-Proline
ME650400
145742
C00148
1.2466414
-
Proline
Proline
ME650595
145742
C00148
0.86064386
-
Proline+0.86503255
Proline
ME650596
145742
C00148
0.86503255
-
Proline+2.0194335
Proline
ME650597
145742
C00148
2.0194335
-
Proline+2.1935194
Proline
ME650598
145742
C00148
2.1935194
-
Proline+3.5784535
Proline
ME650599
145742
C00148
3.5784535
-
Niacinamide
Niacinamide
ME650550
936
C00153
0.67434365
-
Niacinamide+1.0467085
Niacinamide
ME650551
936
C00153
1.0467085
-
Homocysteine
Homocysteine
ME650445
778
C00155
2.8205686
-
Acetoaceticacid
Acetoacetic acid
ME650282
96
C00164
0.9278046
-
Valine
Valine
ME650659
6287
C00183
0.9042489
-
Valine+1.1798357
Valine
ME650660
6287
C00183
1.1798357
-
Valine+3.1044893
Valine
ME650661
6287
C00183
3.1044893
-
Hypoxanthine
Hypoxanthine
ME650448
790
C00262
1.2489512
-
Hypoxanthine+1.5465705
Hypoxanthine
ME650449
790
C00262
1.5465705
-
Homoserine
Homoserine
ME650446
12647
C00263
1.0398608
-
Inosine
Inosine
ME650459
6021
C00294
2.958476
-
Inosine+2.9386847
Inosine
ME650460
6021
C00294
2.9386847
-
Uridine
Uridine
ME650656
6029
C00299
1.2165023
-
Creatine
Creatine
ME650350
586
C00300
0.9470492
-
Pyridoxine(VitaminB6)
Pyridoxine
ME650607
1054
C00314
2.9636323
-
Spermidine
Spermidine
ME650623
1102
C00315
0.7518519
-
Spermidine+0.7562499
Spermidine
ME650624
1102
C00315
0.7562499
-
3-(3-Indolyl)-2-oxopropanoicacid
Indolepyruvate
ME650209
803
C00331
1.7872112
-
Indoleacrylicacid
Indoleacrylic acid
ME650456
15030923
C00331
3.6893759
-
Indoleacrylicacid+4.1127377
Indoleacrylic acid
ME650457
15030923
C00331
4.1127377
-
Uricacid
Uric acid
ME650655
1175
C00366
1.2423732
-
Cytosine
Cytosine
ME650360
597
C00380
1.2324733
-
QH2
Ubiquinol-2
ME650611
5280344
C00390
11.186341
-
Mannitol
Mannitol
ME650503
6251
C00392
0.9056752
-
Ubiquinone
-
ME650645
4462
C00399
9.831329
-
Isoleucine
Isoleucine
ME650461
6306
C00407
2.1833432
-
pipecolicacid
Pipecolic acid
ME650590
849
C00408
3.257194
-
Purine
Purine
ME650604
1044
C00465
0.6660342
-
Purine+0.7625763
Purine
ME650605
1044
C00465
0.7625763
-
Quinone
Quinone
ME650613
4650
C00472
0.90062606
-
Shikimicacid
Shikimic acid
ME650622
8742
C00493
0.899071
-
L-arabitol
L-Arabitol
ME650472
439255
C00532
0.9113823
-
Pyridoxamine
Pyridoxamine
ME650606
1052
C00534
3.3026347
-
Methylglyoxal
Pyruvaldehyde
ME650519
880
C00546
0.91209483
-
4-Aminobutyraldehyde
4-Aminobutyraldehyde
ME650236
118
C00555
0.93733287
-
p-Aminobenzoicacid
p-Aminobenzoic acid
ME650564
978
C00568
0.9288113
-
p-Aminobenzoicacid+0.94484663
p-Aminobenzoic acid
ME650565
978
C00568
0.94484663
-
2-Deoxyglucose
2-Deoxy-glucose
ME650184
45038823
C00586
0.9947986
-
N1-Acetylspermidine
N1-Acetylspermidine
ME650532
496
C00612
0.91827136
-
5-Hydroxytryptophan
5-Hydroxy-tryptophan
ME650250
439280
C00643
3.263502
-
N-Acetyl-D-mannosamine
N-Acetyl-mannosamine
ME650538
65150
C00645
1.0019404
-
Diacetyl
Diacetyl
ME650373
650
C00741
0.9056212
-
Urocanicacid
Urocanic acid
ME650657
736715
C00785
0.7753145
-
Creatinine
Creatinine
ME650351
588
C00791
0.9715494
-
Creatinine+1.1800067
Creatinine
ME650352
588
C00791
1.1800067
-
Acetoin
Acetoin
ME650283
179
C00810
3.0851796
-
Acetoin+3.1608412
Acetoin
ME650284
179
C00810
3.1608412
-
Acetoin+3.357173
Acetoin
ME650285
179
C00810
3.357173
-
Acetoin+3.4380774
Acetoin
ME650286
179
C00810
3.4380774
-
Acetoin+3.7338545
Acetoin
ME650287
179
C00810
3.7338545
-
Acetoin+3.9354725
Acetoin
ME650288
179
C00810
3.9354725
-
Acetoin+4.037091
Acetoin
ME650289
179
C00810
4.037091
-
Acetoin+9.702633
Acetoin
ME650290
179
C00810
9.702633
-
p-Coumaricacid
cis-p-Coumaric acid
ME650567
637542
C00811
1.4731833
-
p-Coumaricacid+1.7897145
cis-p-Coumaric acid
ME650568
637542
C00811
1.7897145
-
p-Coumaricacid+8.976108
cis-p-Coumaric acid
ME650569
637542
C00811
8.976108
-
4-Pyridoxicacid
4-Pyridoxic acid
ME650241
6723
C00847
1.3218431
-
PantothenicAcid
Pantothenic acid
ME650566
988
C00864
3.4304254
-
1,3-Propanediamine
1,3-Diaminopropane
ME650129
428
C00986
3.2364323
-
4-(diaminomethylideneamino)butanoicacid
4-Guanidinobutanoic acid
ME650232
500
C01035
1.0927513
-
7,8-Diaminononanoate
7,8-Diaminononanoic acid
ME650257
652
C01037
0.84767085
-
7,8-Diaminononanoate+0.86831826
7,8-Diaminononanoic acid
ME650258
652
C01037
0.86831826
-
alpha,alpha-Trehalose
Trehalose
ME650295
7427
C01083
0.9338157
-
8-Amino-7-oxononanoate
8-Amino-7-oxononanoic acid
ME650265
25244029
C01092
1.2293361
-
8-Amino-7-oxononanoate+4.7958198
8-Amino-7-oxononanoic acid
ME650266
25244029
C01092
4.7958198
-
8-Amino-7-oxononanoate+5.501855
8-Amino-7-oxononanoic acid
ME650267
25244029
C01092
5.501855
-
N(pai)-Methyl-L-histidine
3-Methylhistidine
ME650531
64969
C01152
0.88011557
-
Glucosylceramide(d18:1/20:0)
GlcCer 18:1;O2/20:0
ME650423
20057358
C01190
0.83928925
-
1-Aminocyclopropane-1-carboxylicacid
1-Aminocyclopropanecarboxylic acid
ME650151
535
C01234
0.6364213
-
1-Aminocyclopropane-1-carboxylicacid+1.2266328
1-Aminocyclopropanecarboxylic acid
ME650152
535
C01234
1.2266328
-
2-Furoicacid
2-Furoic acid
ME650185
6919
C01546
1.2227463
-
n-HexanoicAcid
Caproic acid
ME650548
8892
C01585
7.8916845
-
n-HexanoicAcid+3.6519935
Caproic acid
ME650549
8892
C01585
3.6519935
-
Pyroglutamicacid
Pyroglutamic acid
ME650608
7405
C01879
0.8776488
-
Pyroglutamicacid+1.2445769
Pyroglutamic acid
ME650609
7405
C01879
1.2445769
-
Pyroglutamicacid+1.5233006
Pyroglutamic acid
ME650610
7405
C01879
1.5233006
-
Biotinamide
Biotin amide
ME650323
83831
C01893
1.0918492
-
Camptothecin
Camptothecin
ME650334
24360
C01897
13.01187
-
Homoarginine
Homoarginine
ME650444
3626
C01924
0.9629798
-
o-Hydroxyaniline
2-Aminophenol
ME650560
5801
C01987
1.1404786
-
3-Aminopropanal
3-Aminopropionaldehyde
ME650217
75
C02229
0.8584322
-
trans-Aconitate
trans-Aconitic acid
ME650634
444212
C02341
1.2347957
-
2-Hydroxyadipicacid
2-Hydroxyadipic acid
ME650187
193530
C02360
0.65954983
-
2-Hydroxyadipicacid+0.9071934
2-Hydroxyadipic acid
ME650188
193530
C02360
0.9071934
-
1-Methyladenosine
1-Methyladenosine
ME650162
27476
C02494
1.2477483
-
1-Methyladenosine+1.7661844
1-Methyladenosine
ME650163
27476
C02494
1.7661844
-
Aminosalicylicacid
Aminosalicylic acid
ME650297
4649
C02518
1.7609888
-
Aminosalicylicacid+1.590819
Aminosalicylic acid
ME650298
4649
C02518
1.590819
-
Aminosalicylicacid+1.660612
Aminosalicylic acid
ME650299
4649
C02518
1.660612
-
Aminosalicylicacid+2.050458
Aminosalicylic acid
ME650300
4649
C02518
2.050458
-
N-Acetylputrescine
N-Acetylputrescine
ME650541
122356
C02714
1.1493831
-
Ne-Methyl-L-lysine
N(6)-Methyllysine
ME650544
164795
C02728
0.88153493
-
Hydroxyhydroquinone
1,2,4-Trihydroxybenzene
ME650447
10787
C02814
0.905671
-
Dihydromyricetin
Dihydromyricetin
ME650383
12306070
C02906
3.1281195
-
Dimercaprol
Dimercaprol
ME650386
3080
C02924
0.7770268
-
Cytarabine
Cytarabine
ME650359
6253
C02961
1.2309844
-
N-Acetyl-L-Histidine
N-Acetylhistidine
ME650539
75619
C02997
1.0460984
-
N-acetyl-LTE4
N-Acetyl-leukotriene E4
ME650540
75619
C02997
13.140184
-
GuanidinosuccinicAcid
Guanidinosuccinic acid
ME650436
439918
C03139
2.2554078
-
D-Leucicacid
D-Leucic acid
ME650389
439960
C03264
3.2223547
-
D-Leucicacid+3.3511949
D-Leucic acid
ME650390
439960
C03264
3.3511949
-
D-Leucicacid+3.4208822
D-Leucic acid
ME650391
439960
C03264
3.4208822
-
D-Leucicacid+3.683157
D-Leucic acid
ME650392
439960
C03264
3.683157
-
D-Leucicacid+3.991298
D-Leucic acid
ME650393
439960
C03264
3.991298
-
D-Leucicacid+4.228268
D-Leucic acid
ME650394
439960
C03264
4.228268
-
PhthalicacidMono-2-ethylhexylEster
Monoethylhexyl phthalic acid
ME650583
20393
C03343
11.6243515
-
PhthalicacidMono-2-ethylhexylEster+11.684327
Monoethylhexyl phthalic acid
ME650584
20393
C03343
11.684327
-
N2-Succinyl-L-ornithine
N2-Succinylornithine
ME650534
127370
C03415
1.1214516
-
Asymmetricdimethylarginine
Dimethylarginine
ME650311
123831
C03626
1.0352609
-
Isopentenyladenine
N6-Isopentenyladenine
ME650465
92180
C04083
1.2471734
-
1-Methylguanine
1-Methylguanine
ME650164
70315
C04152
2.0126975
-
1-Methylguanosine
1-Methylguanosine
ME650165
96373
C04545
3.0844936
-
Cholest-5-ene
Cholest-5-ene
ME650346
11300
C05416
13.767643
-
Oxaloglutarate
2-Oxaloglutaric acid
ME650562
440718
C05533
0.77291054
-
3,4-dihydroxymandelate
3,4-Dihydroxymandelic acid
ME650212
85782
C05580
0.78475523
-
p-HYDROXYCINNAMALDEHYDE
(E)-3-(4-Hydroxyphenyl)-2-propenal
ME650585
641301
C05608
3.236577
-
p-HYDROXYCINNAMALDEHYDE+6.348544
(E)-3-(4-Hydroxyphenyl)-2-propenal
ME650586
641301
C05608
6.348544
-
Dihydropteridine
Dihydropteridine
ME650384
167
C05649
1.0543914
-
L-Cysteinesulfonicacid
Cysteine-S-sulfate
ME650473
115015
C05824
0.7756112
-
2-methylene-4-oxo-pentanedioicacid
2-Methylene-4-oxopentanedioic acid
ME650197
440813
C06035
1.2540514
-
4-Hydroxy-L-threonine
4-Hydroxythreonine
ME650237
193577
C06056
1.2667704
-
epsilon-Caprolactam
Epsilon-caprolactam
ME650404
7768
C06593
4.1191754
-
Fusidicacid
Fusidic acid
ME650415
3000226
C06694
11.145926
-
Diethanolamine
Diethanolamine
ME650378
8113
C06772
0.9563176
-
Acyclovir
Aciclovir
ME650292
2022
C06810
1.2482264
-
Atenolol
Atenolol
ME650312
2249
C06833
10.918036
-
Carteolol
Carteolol
ME650339
2583
C06874
6.1858625
-
Cephradine
Cefradine
ME650341
38103
C06897
1.2462033
-
Chloralhydrate
Chloral hydrate
ME650344
2707
C06899
0.81515425
-
Dacarbazine
Dacarbazine
ME650361
5351166
C06936
3.9146154
-
Flucytosine
Flucytosine
ME650411
3366
C07003
0.9820448
-
Flucytosine+0.99118036
Flucytosine
ME650412
3366
C07003
0.99118036
-
Isoniazid
Isoniazid
ME650463
3767
C07054
4.213913
-
Isoniazid+3.4042652
Isoniazid
ME650464
3767
C07054
3.4042652
-
Lidocaine
Lidocaine
ME650491
3676
C07073
4.9714904
-
temazepam
Temazepam
ME650627
5391
C07125
2.0331318
-
Methylphenidate
Methylphenidate
ME650521
10945497
C07196
0.90794426
-
Zalcitabine
Zalcitabine
ME650667
24066
C07207
1.0970632
-
Zalcitabine+1.1630843
Zalcitabine
ME650668
24066
C07207
1.1630843
-
Nadolol
Nadolol
ME650543
39147
C07249
6.8007755
-
Limonene-1,2-epoxide
Limonene-1,2-epoxide
ME650492
441245
C07271
5.350778
-
Oxybutynin
Oxybutynin
ME650563
4634
C07360
11.283061
-
Penbutolol
Penbutolol
ME650570
37464
C07416
7.367229
-
Caffeine
Caffeine
ME650333
2519
C07481
4.2138095
-
Vigabatrin
Vigabatrin
ME650664
5665
C07500
0.7941237
-
Vigabatrin+11.291644
Vigabatrin
ME650665
5665
C07500
11.291644
-
Ethosuximide
Ethosuximide
ME650407
3291
C07505
1.2463351
-
Ethosuximide+3.0564094
Ethosuximide
ME650408
3291
C07505
3.0564094
-
ROFECOXIB
Rofecoxib
ME650618
5090
C07590
3.4027486
-
Quinestrol
Quinestrol
ME650612
9046
C07619
12.645769
-
Netilmicin
Netilmicin
ME650545
441306
C07657
4.7485933
-
Perindopril
Perindopril
ME650573
107807
C07706
13.604183
-
Perindopril+13.513286
Perindopril
ME650574
107807
C07706
13.513286
-
Sulfacetamide
Sulfacetamide
ME650626
5320
C08051
13.141416
-
PenicillinV
Penicillin V
ME650571
6869
C08126
11.461686
-
Indospicine
Indospicine
ME650458
108010
C08288
2.9849553
-
DIALLYLSULFIDE
Di-2-propenyl sulfide
ME650374
11617
C08370
1.2400979
-
ISOLIQUIRITIGENIN
Isoliquiritigenin
ME650462
638278
C08650
1.0155689
-
(R)-(+)-Citronellal
Citronellal
ME650126
75427
C09848
8.947597
-
ARECOLINE
Arecoline
ME650304
2230
C10129
4.665564
-
GUVACINE
Guvacine
ME650437
3532
C10149
1.3388168
-
Embelin
Embelin
ME650402
3218
C10342
9.593699
-
ANETHOLE
trans-Anethole
ME650301
637563
C10428
1.0313065
-
,4-Dihydroxyphenylpropionicacid
Dihydroxyphenylpropionic acid
ME650127
192095
C10447
8.975979
-
ISOSAFROLE
Isosafrole
ME650466
637796
C10472
7.7416935
-
ISOSAFROLE+11.260149
Isosafrole
ME650467
637796
C10472
11.260149
-
ISOSAFROLE+11.294703
Isosafrole
ME650468
637796
C10472
11.294703
-
ISOSAFROLE+7.781458
Isosafrole
ME650469
637796
C10472
7.781458
-
ISOSAFROLE+7.876791
Isosafrole
ME650470
637796
C10472
7.876791
-
Ecgonine
Ecgonine
ME650401
443003
C10858
1.2456335
-
diethyltoluamide
N,N-Diethyl-m-toluamide
ME650379
4284
C10935
8.178934
-
2-Pyrrolidinone
2-Pyrrolidinone
ME650201
12025
C11118
1.2495733
-
2-Pyrrolidinone+1.6404546
2-Pyrrolidinone
ME650203
12025
C11118
1.6404546
-
2-Pyrrolidinone+2.5081131
2-Pyrrolidinone
ME650204
12025
C11118
2.5081131
-
2-Pyrrolidinone+2.8932798
2-Pyrrolidinone
ME650205
12025
C11118
2.8932798
-
2-Pyrrolidinone+2.9543996
2-Pyrrolidinone
ME650206
12025
C11118
2.9543996
-
dimethylsulfoxide
Dimethyl sulfoxide
ME650387
679
C11143
1.2325356
-
ANISOMYCIN
Anisomycin
ME650302
253602
C11281
4.4580603
-
S-(p-Azidophenacyl)glutathione
S-(p-Azidophenacyl)glutathione
ME650619
443120
C11315
1.1769313
-
N-Acetyl-beta-D-mannosamine
N-Acetyl-mannosamine
ME650536
3084028
C11361
0.9194603
-
Methyljasmonate
Methyl jasmonate
ME650520
5281929
C11512
8.568048
-
GibberellinA9
Gibberellin A9
ME650419
443456
C11863
8.975427
-
Glutaral(Glutaraldehyde)
Glutaral
ME650425
3485
C12518
3.2806787
-
Tranexamicacid
Tranexamic acid
ME650631
-
C12535
1.2459966
-
Tranexamicacid+3.9845319
Tranexamic acid
ME650632
-
C12535
3.9845319
-
Zopiclone
Zopiclone
ME650669
941731
C12808
11.6224
-
GABOXADOL
-
ME650416
3448
C13693
0.98487777
-
GABOXADOL+1.0597433
-
ME650417
3448
C13693
1.0597433
-
Pinacidil
Pindac
ME650587
55329
C13729
4.315171
-
dodecanamide
Dodecanamide
ME650396
14256
C13831
10.053039
-
dodecanamide+10.117273
Dodecanamide
ME650397
14256
C13831
10.117273
-
dodecanamide+10.603764
Dodecanamide
ME650398
14256
C13831
10.603764
-
octadecanamide
Stearamide
ME650558
31292
C13846
14.142255
-
C16Sphinganine
C16 Sphinganine
ME650327
656816
C13915
14.138275
-
BENZYLBUTYLPHTHALATE
Benzyl butyl phthalate
ME650316
2347
C14211
11.461904
-
Anthracene
Anthracene
ME650303
12658497
C14315
3.3571568
-
2-Hydroxyfelbamate
2-Hydroxyfelbamate
ME650189
10400039
C16582
1.0374277
-
ResolvinD1
Resolvin D1
ME650614
44251266
C18178
13.624645
-
N-Acetyl-a-neuraminicacid
N-Acetylneuraminic acid
ME650535
444885
C19909
0.91540724
-
TRANILAST
2-[3-(3,4-dimethoxyphenyl)prop-2-enoylamino]benzoic acid
ME650633
5527
D02027
1.2277365
-
10-hydroxy-8E-Decene-2,4,6-triynoicacid
-
ME650130
9543623
-
8.9617195
-
12-amino-dodecanoicacid
12-Aminododecanoic acid
ME650131
6102805
-
6.938151
-
1,2-di-(9Z,12Z-heptadecadienoyl)-3-octadecanoyl-sn...
TG 17:2_17:2_18:0
ME650128
9544082
-
14.143447
-
12-oxo-10Z-dodecenoicacid
12-Oxo-10Z-dodecenoic acid
ME650132
5312890
-
9.341574
-
12-oxo-9-octadecynoicacid
12-Oxo-9-octadecynoic acid
ME650133
349300
-
11.420159
-
13,14-dihydro-15-keto-PGF2alpha
13,14-Dihydro-15-keto-PGF2alpha
ME650134
1427
-
11.993217
-
13,14-dihydro-19(R)-hydroxyPGE1
13,14-Dihydro-19R-hydroxy-PGE1
ME650135
16061097
-
11.772976
-
13E,17-octadecadienoicacid
13E,17-Octadecadienoic acid
ME650136
5312454
-
11.929294
-
13E,17-octadecadienoicacid+12.112559
13E,17-Octadecadienoic acid
ME650137
5312454
-
12.112559
-
13E,17-octadecadienoicacid+12.351626
13E,17-Octadecadienoic acid
ME650138
5312454
-
12.351626
-
13S-hydroxy-9E,11Z-octadecadienoicacid
-
ME650139
-
-
11.615695
-
16,16-dimethyl-PGF2beta
16,16-Dimethyl-PGF2beta
ME650140
5283082
-
0.89043796
-
16,16-dimethyl-PGF2beta+11.429014
16,16-Dimethyl-PGF2beta
ME650141
5283082
-
11.429014
-
16beta-Hydroxystanozolol
16beta-Hydroxystanozolol
ME650142
14299609
-
13.050006
-
1a,1b-dihomo-15-deoxy-delta-12,14-PGD2
1a,1b-Dihomo-15-deoxy-delta-12,14-PGD2
ME650143
16061094
-
14.223085
-
1a,1b-dihomo-15-deoxy-delta-12,14-PGD2+14.23761
1a,1b-Dihomo-15-deoxy-delta-12,14-PGD2
ME650144
16061094
-
14.23761
-
1alpha,25-dihydroxy-11beta-methoxyvitaminD3/1alpha...
-
ME650145
9547491
-
14.616285
-
1alpha,25-dihydroxy-26,27-dimethyl-24a-homo-22-oxa...
-
ME650146
-
-
13.351564
-
1alpha,25-dihydroxy-26,27-dimethyl-24a-homo-22-oxa...
-
ME650147
-
-
13.434656
-
1alpha,25-dihydroxy-2beta-(4-hydroxybutoxy)vitamin...
-
ME650148
9547612
-
13.134942
-
1alpha,25-dihydroxy-2beta-(4-hydroxybutoxy)vitamin...
-
ME650149
-
-
13.128956
-
1alpha-hydroxy-22-(3-hydroxyphenyl)-23,24,25,26,27...
-
ME650150
9547458
-
9.938548
-
1beta,25-dihydroxy-2beta-(3-hydroxypropoxy)vitamin...
-
ME650153
9547582
-
14.536929
-
1-dodecanoyl-2-hexadecanoyl-3-octadecanoyl-sn-glyc...
TG 12:0_16:0_18:0
ME650154
656780
-
14.141351
-
1-eicosanoyl-2-(5Z,8Z,11Z,14Z,17Z-eicosapentaenoyl...
DG 20:0_20:5
ME650155
9543842
-
0.8419908
-
1-heptadecanoyl-2-(5Z,8Z,11Z,14Z-eicosatetraenoyl)...
PG 17:0_20:4(5Z,8Z,11Z,14Z)
ME650156
5283514
-
12.413331
-
1-hexadecanoyl-sn-glycerol
MG 16:0/0:0/0:0
ME650157
3084463
-
13.604633
-
1-Hexadecylamine
1-Hexadecylamine
ME650158
8926
-
8.261727
-
1-Hexadecylamine+10.330298
1-Hexadecylamine
ME650159
8926
-
10.330298
-
1-Hydroxytetrahydrocannabinol
1-Hydroxytetrahydrocannabinol
ME650160
644022
-
12.186898
-
1-L-Leucyl-L-Proline
Leu-Pro
ME650161
-
-
3.0453415
-
1-Methylinosine
1-Methylinosine
ME650166
65095
-
3.1268587
-
1-nonadecanoyl-2-(10Z,13Z,16Z-docosatrienoyl)-sn-g...
-
ME650167
9543877
-
0.8392469
-
1-octadecanoyl-rac-glycerol
MG 18:0
ME650168
-
-
14.659957
-
1-Pyrrolidinepropanol,a-(4-hydroxycyclohexyl)-a-ph...
-
ME650169
-
-
9.389849
-
(1S,2S)-3-oxo-2-pentyl-cyclopentanebutanoicacid
(1S,2S)-3-Oxo-2-pentyl-cyclopentanebutanoic acid
ME650115
-
-
11.874939
-
(1S,2S)-3-oxo-2-pentyl-cyclopentanebutanoicacid+13...
(1S,2S)-3-Oxo-2-pentyl-cyclopentanebutanoic acid
ME650116
-
-
13.396578
-
22:1Cholesterylester
CE 22:1
ME650175
16219158
-
0.83374816
-
2,3-Dioxogulonicacid
-
ME650170
-
-
1.2335066
-
(23R,25R)-25-hydroxyvitaminD326,23-lactone/(23R,25...
-
ME650117
9547361
-
11.234188
-
2,4,6,8,10-dodecapentaenal
2,4,6,8,10-Dodecapentaenal
ME650171
5283362
-
1.0475969
-
2,4,6,8,10-dodecapentaenal+1.227618
2,4,6,8,10-Dodecapentaenal
ME650172
5283362
-
1.227618
-
2,4-DICHLOROPHENOXYACETICACID
2,4-Dichlorophenoxyacetic acid
ME650173
18790815
-
0.77671474
-
2,4-octadienal
(E,E)-2,4-Octadienal
ME650174
5283329
-
3.236602
-
(24S)-1alpha,24,25-trihydroxy-22-oxavitaminD3/(24S...
-
ME650118
9547318
-
13.649206
-
(24S)-1alpha,24-dihydroxy-22-oxavitaminD3/(24S)-1a...
-
ME650119
9547313
-
14.137167
-
2-Amino-2-methyl-1-propanol
-
ME650176
-
-
3.106027
-
2-Amino-2-methyl-1-propanol+3.3926477
-
ME650177
-
-
3.3926477
-
2-Amino-3-methyl-1-butanol
-
ME650178
-
-
0.902038
-
2-Amino-3-methyl-1-butanol+1.045414
-
ME650179
-
-
1.045414
-
2-Aminopropanol
2-Aminopropanol
ME650180
-
-
0.9494716
-
2-amino-tetradecanoicacid
2-Aminotetradecanoic acid
ME650181
252477
-
10.124633
-
2-Butanone,4-[6-(sulfooxy)-2-naphthalenyl]-
-
ME650182
-
-
1.2680662
-
(2-Chlorophenyl)diphenylmethane
(2-Chlorophenyl)diphenylmethane
ME650120
14617879
-
8.364346
-
2-decylenicacid
2-Decenoic acid
ME650183
5282724
-
13.437946
-
2-Heptenedioicacid,4-oxo-
-
ME650186
-
-
0.91785145
-
2-ISOPROPYL-3-METHOXYCINNAMICACID
2-Isopropyl-3-methoxycinnamic acid
ME650190
-
-
8.975729
-
2-ISOPROPYL-3-METHOXYCINNAMICACID+11.305641
2-Isopropyl-3-methoxycinnamic acid
ME650191
-
-
11.305641
-
2-METHOXYRESORCINOL
2-Methoxyresorcinol
ME650193
66606
-
3.787619
-
2-Methylbutyrylglycine
2-Methylbutyrylglycine
ME650194
193872
-
3.0071375
-
2-Methylbutyrylglycine+0.9057921
2-Methylbutyrylglycine
ME650195
193872
-
0.9057921
-
2-Methylbutyrylglycine+3.9581158
2-Methylbutyrylglycine
ME650196
193872
-
3.9581158
-
2-Methylindoline
2-Methylindoline
ME650198
23305
-
1.2431189
-
2-Oxovalericacid
2-Oxovaleric acid
ME650199
-
-
0.908238
-
2-Oxovalericacid+1.0467923
2-Oxovaleric acid
ME650200
-
-
1.0467923
-
2-Pyrrolidinone,1-ethyl-4-[2-[(2-hydroxyethyl)amin...
-
ME650202
-
-
13.393873
-
2R-aminohexadecanoicacid
2R-Aminohexadecanoic acid
ME650207
5312966
-
13.632786
-
3-(2,5-dimethoxyphenyl)propanoicacid
3-(2,5-Dimethoxyphenyl)propanoicacid
ME650208
66343
-
6.348711
-
3,3,45-Tetrahydroxystilbene
-
ME650211
-
-
1.221903
-
3,5-dichlorosalicylicacid
3,5-Dichlorosalicylicacid
ME650213
9445
-
0.7766816
-
3alpha,6alpha,12alpha-Trihydroxy-7-oxo-5beta-chola...
3alpha,6alpha,12alpha-Trihydroxy-7-oxo-5beta-cholan-24-oic acid
ME650214
5284027
-
5.670159
-
3alpha,7alpha,12alpha-Trihydroxy-24-methyl-5beta-c...
3alpha,7alpha,12alpha-Trihydroxy-24-methyl-5beta-cholest-23-en-26-oic acid
ME650215
5284297
-
12.349149
-
3-Amino-2-piperidone
3-Amino-2-piperidone
ME650216
5200225
-
3.235978
-
3-(a-Naphthoxy)lacticacidglucuronide
-
ME650210
-
-
0.896849
-
3-DeoxyvitaminD3
3-Deoxyvitamin D3
ME650218
24779628
-
14.141317
-
3E,5E-tridecadienoicacid
3E,5E-Tridecadienoic acid
ME650219
5312396
-
8.258902
-
3-Hydroxycapricacid
10-Hydroxydecanoic acid
ME650220
-
-
4.474115
-
3-Hydroxycapricacid+4.517981
10-Hydroxydecanoic acid
ME650221
-
-
4.517981
-
3-Hydroxycapricacid+5.362054
10-Hydroxydecanoic acid
ME650222
-
-
5.362054
-
3'-Hydroxytrimethoprim
-
ME650223
-
-
7.435033
-
3-ketopalmiticacid
3-Ketopalmitic acid
ME650224
5282997
-
11.097533
-
3-Methylamino-1,2-propandiol
-
ME650225
-
-
9.930811
-
3-methyl-tetradecanedioicacid
3-Methyl-tetradecanedioic acid
ME650226
9543661
-
11.875072
-
3-O-Methyldobutamine
-
ME650227
-
-
9.594712
-
3-O-Methyldobutamine+9.681883
-
ME650228
-
-
9.681883
-
3-O-Methyl-L-DOPA
-
ME650229
-
-
1.0951931
-
3-oxo-4-pentenoicacid
3-Oxo-4-pentenoic acid
ME650230
-
-
0.9091948
-
3-oxo-4-pentenoicacid+2.9779496
3-Oxo-4-pentenoic acid
ME650231
-
-
2.9779496
-
4,12-dihydroxy-hexadecanoicacid
4,12-Dihydroxyhexadecanoic acid
ME650233
5312760
-
12.011989
-
4-Amino-6,7-dimethoxy-2-(1-piperazinyl)quinazoline
-
ME650234
-
-
3.3078184
-
4-Amino-6,7-dimethoxy-2-(1-piperazinyl)quinazoline...
-
ME650235
-
-
3.4088924
-
4'-Hydroxyminoxidil
-
ME650238
-
-
1.1033446
-
4-Hydroxypyridine
4-Pyridone
ME650239
-
-
1.2995658
-
4-Hydroxypyridine+1.6993763
4-Pyridone
ME650240
-
-
1.6993763
-
5,6-Dihydrouridine
5,6-Dihydrouridine
ME650244
94312
-
0.99909925
-
5,7-nonadienoicacid
5,7-Nonadienoic acid
ME650245
-
-
7.2969785
-
5-aminosalicyluricacid
5-Aminosalicyluric acid
ME650246
10353049
-
1.219162
-
5a-Tetrahydrocorticosterone
5alpha-Tetrahydrocorticosterone
ME650247
101790
-
13.073362
-
5-Ethyl-5-(1-methyl-3-carboxypropyl)barbituricacid
-
ME650248
-
-
3.0006118
-
5-(hydroxymethyl)-2-Furancarboxylicacid
Sumiki's acid
ME650242
80642
-
1.0621948
-
5-(hydroxymethyl)-2-Furancarboxylicacid+1.1827083
Sumiki's acid
ME650243
80642
-
1.1827083
-
5-Hydroxymethylcimetidine
-
ME650249
-
-
1.2299352
-
5-oxo-7-decynoicacid
5-Oxo-7-Decynoic acid
ME650251
5312701
-
4.084889
-
(5Z)-(3S)-1alpha,25-dihydroxy-3-deoxy-3-thiavitami...
-
ME650121
24779621
-
13.608173
-
6,8-dihydroxy-octanoicacid
6,8-Dihydroxyoctanoic acid
ME650252
-
-
3.409535
-
6,8-dihydroxy-octanoicacid+4.223625
6,8-Dihydroxyoctanoic acid
ME650253
-
-
4.223625
-
6,9-hexadecadienoicacid
6,9-Hexadecadienoic acid
ME650254
5312424
-
11.004276
-
6-Formylindolo[3,2-B]carbazole
6-Formylindolo[3,2-B]carbazole
ME650255
1863
-
4.1125445
-
6-methyltetrahydropterin
6-Methyltetrahydropterin
ME650256
3124
-
0.9884357
-
(6RS)-22-oxo-23,24,25,26,27-pentanorvitaminD36,19-...
-
ME650122
9547268
-
14.0806265
-
7,8-Didehydroastaxanthin
7,8-Didehydroastaxanthin
ME650259
6443726
-
12.236974
-
7alpha-(Thiomethyl)spironolactone
-
ME650260
-
-
5.811468
-
7-DEACETOXY-7-OXOKHIVORIN
-
ME650261
-
-
10.381768
-
7-hydroxy-10E,16-heptadecadien-8-ynoicacid
-
ME650262
5312811
-
10.242166
-
7-palmitoleicacid
7-Palmitoleic acid
ME650263
5282744
-
13.2631035
-
8,13-dihydroxy-9,11-octadecadienoicacid
8,13-DiHODE
ME650264
5282963
-
14.135218
-
8-AminoCaprylicacid
8-Aminooctanoic acid
ME650268
66085
-
1.2355621
-
8-hydroxy-17-octadecene-10,12-diynoicacid
-
ME650269
-
-
13.16225
-
8-hydroxy-17-octadecene-10,12-diynoicacid+13.17195...
-
ME650270
-
-
13.171953
-
8R-hydroxy-9Z-octadecenoicacid
-
ME650271
-
-
11.889397
-
8R-hydroxy-9Z-octadecenoicacid+12.002578
-
ME650272
-
-
12.002578
-
8R-hydroxy-9Z-octadecenoicacid+12.146298
-
ME650273
-
-
12.146298
-
8R-hydroxy-9Z-octadecenoicacid+12.259173
-
ME650274
-
-
12.259173
-
8R-hydroxy-9Z-octadecenoicacid+12.398762
-
ME650275
-
-
12.398762
-
8S-hydroxy-2-Decene-4,6-diynoicacid
8S-Hydroxy-2-decene-4,6-diynoic acid
ME650276
9543620
-
13.156081
-
9,12,14-octadecatrienoicacid
9,12,14-Octadecatrienoic acid
ME650277
5282821
-
14.138994
-
9,13-dihydroxy-11-octadecenoicacid
9,13-DiHOME(11)
ME650278
5282960
-
13.39534
-
9-dodecen-1-ol
9-Dodecen-1-ol
ME650279
93181
-
9.445393
-
9-lauroleicacid
9-Dodecenoic acid
ME650280
5282733
-
10.667505
-
9-lauroleicacid+12.430359
9-Dodecenoic acid
ME650281
5282733
-
12.430359
-
Acetyl-farnesyl-cysteine
Acetyl-farnesyl-cysteine
ME650291
6438381
-
11.291187
-
AlaAlaAsp
Ala-Ala-Asp
ME650293
-
-
0.9358135
-
AlanineDimer
-
ME650294
-
-
1.0484773
-
ALPRENOLOL
Alprenolol
ME650296
2119
-
8.328992
-
ArgSerPro
Arg-Ser-Pro
ME650306
-
-
11.306665
-
AsnGlySer
Asn-Gly-Ser
ME650307
-
-
3.7226896
-
AsnHisSer
Asn-His-Ser
ME650308
-
-
1.2266097
-
AspAspPro
Asp-Asp-Pro
ME650309
-
-
1.2446378
-
AspLeu
Asp-Leu
ME650310
-
-
1.2497512
-
avobenzone
-
ME650313
-
-
11.0288725
-
avobenzone+13.0102
-
ME650314
-
-
13.0102
-
Benzenepropanoicacid,4-[2-hydroxy-3-[(1-methylethy...
-
ME650315
-
-
5.1213946
-
Benzylmalicacid
-
ME650317
-
-
3.4653673
-
beta-vinylacrylicacid
beta-Vinyl acrylic acid
ME650319
642034
-
0.9089631
-
beta-vinylacrylicacid+3.1429625
beta-Vinyl acrylic acid
ME650320
642034
-
3.1429625
-
bicyclo-PGE2
Bicyclo-PGE2
ME650321
5283043
-
5.2896285
-
Bifemelane(M4)
-
ME650322
-
-
1.2439214
-
Bis(2-hydroxypropyl)amine
-
ME650324
-
-
1.2518955
-
Bis(2-hydroxypropyl)amine+1.6169006
-
ME650325
-
-
1.6169006
-
Bis(2-hydroxypropyl)amine+2.961494
-
ME650326
-
-
2.961494
-
C16Sulfatide
SHexCer 18:1;O2/16:0
ME650328
24779578
-
0.84148705
-
C17Sphinganine
C17 Sphinganine
ME650329
3247037
-
9.031648
-
C18-Cerebroside
-
ME650330
10327583
-
0.84063643
-
C22Sulfatide
SHexCer 18:1;O2/22:0
ME650331
-
-
12.380024
-
C24:1-OHSulfatide
-
ME650332
-
-
11.188421
-
CARBADOX
-
ME650335
-
-
0.90001535
-
CARBADOX+3.2040133
-
ME650336
-
-
3.2040133
-
CARBETAPENTANE
Carbetapentane
ME650337
2562
-
9.931648
-
Carboxyprimaquine
Carboxyprimaquine
ME650338
127542
-
1.2449086
-
CDP-DG(12:0/12:0)
CDP-DG 12:0/12:0
ME650340
3247021
-
0.86470443
-
Cer(d18:0/22:0)
Cer 18:0;O2/22:0
ME650342
5283575
-
0.8413181
-
CerebrosideC
-
ME650343
-
-
12.447247
-
Chloramphenicolalcohol
-
ME650345
-
-
3.0069754
-
cis-11-Hexadecenal
cis-11-Hexadecenal
ME650347
62073
-
12.822196
-
Citrullinen-butylester
-
ME650348
-
-
0.88441116
-
clavirinI
Clavirin I
ME650349
5283240
-
0.9003377
-
cyclandelate
Cyclandelate
ME650353
2893
-
8.976441
-
cyclandelate+11.3055525
Cyclandelate
ME650354
2893
-
11.3055525
-
cyclohexylammonium
Cyclohexylamine
ME650355
-
-
1.2054559
-
CysAlaGly
Cys-Ala-Gly
ME650356
-
-
13.1412525
-
CysProIle
Cys-Pro-Ile
ME650357
-
-
8.265308
-
CysSer
Cys-Ser
ME650358
-
-
1.2206877
-
Delphinidin
Delphinidin
ME650363
128853
-
0.887363
-
Demissidine
Demissidine
ME650364
101379
-
13.199425
-
Desethylchloroquine
Desethylchloroquine
ME650365
95478
-
0.900734
-
Desmethyldoxepine
-
ME650366
-
-
8.191262
-
Desmethyldoxepine+8.275158
-
ME650367
-
-
8.275158
-
Desmethylthioridazine
-
ME650368
-
-
10.15644
-
Desmethylthioridazine+10.251241
-
ME650369
-
-
10.251241
-
D-Homoserine
D-Homoserine
ME650372
2724170
-
1.323009
-
DIBENZOTHIOPHENE
Dibenzothiophene
ME650375
3023
-
1.1021907
-
DIBENZOTHIOPHENE+1.2266107
Dibenzothiophene
ME650376
3023
-
1.2266107
-
DIBENZOTHIOPHENE+1.3471979
Dibenzothiophene
ME650377
3023
-
1.3471979
-
Diflunisalacylglucuronide
-
ME650380
-
-
0.8486035
-
dihydro-alpha-ergocryptine
Dihydro-alpha-ergocryptine
ME650381
12899067
-
5.044854
-
Dihydrolevobunolol
Dihydrolevobunolol
ME650382
162349
-
11.084201
-
DIHYDROSPATHELIACHROMENE
-
ME650385
-
-
7.74535
-
Diphenoxylicacid(DPA)
-
ME650388
-
-
13.141316
-
Docosanedioicacid
Docosanedioic acid
ME650395
244872
-
11.854422
-
Doxapram
Doxapram
ME650399
3156
-
14.145968
-
(E)-2-Methylglutaconicacid
2-Methylglutaconic acid
ME650123
-
-
0.6715557
-
(E)-2-Methylglutaconicacid+0.8921491
2-Methylglutaconic acid
ME650124
-
-
0.8921491
-
(E)-2-Methylglutaconicacid+1.2437595
2-Methylglutaconic acid
ME650125
-
-
1.2437595
-
epinephrylborateopthalmicsolution
-
ME650403
-
-
3.2228088
-
ESTRADIOLCYPIONATE
Estradiol cypionate
ME650405
-
-
14.661891
-
Ethambutolaldehyde
-
ME650406
-
-
1.2022446
-
Ethylenediamine-N,N'-di-a-butyricacid
-
ME650409
-
-
0.90174526
-
EthylOxalacetate
-
ME650410
-
-
1.1988797
-
fluoxymesterone
Fluoxymesterone
ME650413
6446
-
11.682245
-
Furan2,5-dicarboxylicacid
2,5-Furandicarboxylic acid
ME650414
-
-
1.2351995
-
Gamma-Glu-Leu
gamma-Glutamylleucine
ME650418
4524287
-
1.2439053
-
GlnProLys
Gln-Pro-Lys
ME650420
-
-
4.825221
-
GlnSerHis
Gln-Ser-His
ME650421
-
-
10.705208
-
GlnSerThr
Gln-Ser-Thr
ME650422
-
-
0.99586886
-
GluGlu
Glu-Glu
ME650424
-
-
4.2144103
-
GlyValGly
Gly-Val-Gly
ME650427
-
-
0.95968133
-
GlyValHis
Gly-Val-His
ME650428
-
-
5.14883
-
GPEtn(18:1(11Z)/18:1(9Z))[U]
PE 18:1(11Z)/18:1(9Z)
ME650429
-
-
0.84210277
-
GPEtn(18:1(11Z)/18:1(9Z))[U]+11.980686
PE 18:1(11Z)/18:1(9Z)
ME650430
-
-
11.980686
-
GPEtn(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/20:4(5Z,8Z,11Z,1...
PE 22:6(4Z,7Z,10Z,13Z,16Z,19Z)/20:4(5Z,8Z,11Z,14Z)*
ME650431
-
-
0.84156257
-
GPEtn(O-18:0/22:0)[U]
PE O-18:0/22:0
ME650432
-
-
0.8281482
-
GPIns(16:0/18:1(9Z))
PI 16:0/18:1(9Z)
ME650433
-
-
11.931379
-
GPIns(16:0/18:1(9Z))+11.922863
PI 16:0/18:1(9Z)
ME650434
-
-
11.922863
-
GPP(18:1(9Z)/18:1(9Z))
-
ME650435
-
-
0.8413045
-
HECOGENINACETATE
-
ME650438
-
-
11.189843
-
HisLeuSer
His-Leu-Ser
ME650439
-
-
5.3889437
-
HisVal
His-Val
ME650443
-
-
0.9090833
-
IdebenoneMetabolite(Benzenehexanoicacid,2,5-dihydr...
-
ME650450
-
-
5.667214
-
IdebenoneMetabolite(Benzenehexanoicacid,2,5-dihydr...
-
ME650451
-
-
5.7281647
-
IdebenoneMetabolite(Benzenehexanoicacid,2,5-dihydr...
-
ME650452
-
-
5.8371787
-
IleAla
Ile-Ala
ME650453
-
-
1.4936752
-
IleAlaVal
Ile-Ala-Val
ME650454
-
-
3.0618467
-
IlePro
Ile-Pro
ME650455
-
-
3.0226705
-
L-Alaninen-butylester
Arabinonic acid
ME650471
-
-
1.0051908
-
LeuHisLeu
Leu-His-Leu
ME650476
-
-
6.4867897
-
LeuLeuAla
Leu-Leu-Ala
ME650477
-
-
3.379758
-
LeuPro
Leu-Pro
ME650478
-
-
1.2490845
-
LeuProIle
Leu-Pro-Ile
ME650479
-
-
14.139464
-
LeuProPro
Leu-Pro-Pro
ME650480
-
-
9.93982
-
LEVULINICACID,3-BENZYLIDENYL-
-
ME650481
-
-
11.681493
-
LEVULINICACID,3-BENZYLIDENYL-+11.658154
-
ME650482
-
-
11.658154
-
L-gamma-Cyano-gamma-aminobutyricacid
-
ME650483
-
-
0.92277807
-
L-gamma-Cyano-gamma-aminobutyricacid+0.890694
-
ME650484
-
-
0.890694
-
L-gamma-Cyano-gamma-aminobutyricacid+2.6655388
-
ME650485
-
-
2.6655388
-
L-Glutamicaciddibutylester
-
ME650486
-
-
4.936879
-
L-Glutamicaciddibutylester+5.1181326
-
ME650487
-
-
5.1181326
-
L-Glutamicaciddibutylester+5.189158
-
ME650488
-
-
5.189158
-
L-Glutamicaciddibutylester+5.3399
-
ME650489
-
-
5.3399
-
L-Glutamicacidn-butylester
-
ME650490
-
-
1.4974755
-
Loroxanthinester/Loroxanthindodecenoate
Loroxanthin dodecenoate
ME650493
16061272
-
0.8635135
-
LysAsnPro
Lys-Asn-Pro
ME650495
-
-
4.2028646
-
LysCysHis
Lys-Cys-His
ME650496
-
-
8.863811
-
LysGluVal
Lys-Glu-Val
ME650497
-
-
0.99063534
-
LysHis
Lys-His
ME650498
-
-
4.347981
-
LysIle
Lys-Ile
ME650499
-
-
0.97035354
-
LysLysLys
Lys-Lys-Lys
ME650501
-
-
13.434689
-
LysVal
Lys-Val
ME650502
-
-
0.8899152
-
Mebeverine
Mebeverine
ME650504
4031
-
5.668237
-
Mebeverinemetabolite(Veratricacidglucuronide)
-
ME650505
-
-
0.84937114
-
Meradimate
-
ME650506
-
-
8.264516
-
Meradimate+9.5246935
-
ME650507
-
-
9.5246935
-
Meradimate+9.747628
-
ME650508
-
-
9.747628
-
MetHisLys
Met-His-Lys
ME650510
-
-
9.005064
-
MetHisLys+10.030071
Met-His-Lys
ME650511
-
-
10.030071
-
MetHisLys+9.225381
Met-His-Lys
ME650512
-
-
9.225381
-
MetHisLys+9.580145
Met-His-Lys
ME650513
-
-
9.580145
-
MetHisLys+9.714662
Met-His-Lys
ME650514
-
-
9.714662
-
MetHisLys+9.8822365
Met-His-Lys
ME650515
-
-
9.8822365
-
MetHisLys+9.901607
Met-His-Lys
ME650516
-
-
9.901607
-
methyl-10-hydroperoxy-8E,12Z,15Z-octadecatrienoate
-
ME650517
5282873
-
12.425349
-
methyl8-[2-(2-formyl-vinyl)-3-hydroxy-5-oxo-cyclop...
-
ME650518
5282975
-
9.170466
-
METHYLTHIOURACIL
Methylthiouracil
ME650522
3036304
-
0.7881594
-
MY-5445
-
ME650523
1348
-
0.9058492
-
MYCOPHENOLICACID
Mycophenolic acid
ME650524
49849463
-
5.2445083
-
MYCOPHENOLICACID+4.000977
Mycophenolic acid
ME650525
-
-
4.000977
-
MYCOPHENOLICACID+5.6754255
Mycophenolic acid
ME650526
-
-
5.6754255
-
MYCOPHENOLICACID+5.9322114
Mycophenolic acid
ME650527
-
-
5.9322114
-
(-)N-(1R-methyl-propyl)arachidonoylamine
N-(1R-Methyl-propyl) arachidonoyl amine
ME650114
5283402
-
12.70001
-
N-(2-hydroxyethyl)icosanamide
Eicosanoyl-EA
ME650528
3787294
-
12.705997
-
N-(2-hydroxyethyl)oleamide
Oleoyl-EA
ME650529
5283454
-
14.2836485
-
N-(2-hydroxyethyl)stearamide
Stearoyl-EA
ME650530
27902
-
13.99271
-
N2,N2-Dimethylguanosine
N2,N2-Dimethylguanosine
ME650533
92919
-
3.4002051
-
N-AcetylCilastatin
N-AcetylCilastatin
ME650537
6438579
-
6.6915655
-
N-Acetyltranylcypromine
N-Acetyltranylcypromine
ME650542
583384
-
1.1043212
-
N-Fluorenylacetamide
2-Acetamidofluorene
ME650546
-
-
0.88965625
-
N-gamma-Acetyl-N-2-formyl-5-methoxykynurenamine
-
ME650547
-
-
4.3540525
-
N-Methyl-2-pyridone-5-carboxamide(Nudifloramide)
-
ME650552
-
-
2.7346914
-
N-Methyl-2-pyridone-5-carboxamide(Nudifloramide)+2...
-
ME650553
-
-
2.8463671
-
N-Methyl-2-pyridone-5-carboxamide(Nudifloramide)+2...
-
ME650554
-
-
2.9480572
-
N-methyl-Gabapentin
-
ME650555
-
-
6.7793245
-
Norpropoxyphene
Norpropoxyphene
ME650556
18804
-
9.93411
-
n-Pentadecylamine
N-Pentadecylamine
ME650557
17386
-
9.665563
-
Octocrylene
Octocrylene
ME650559
22571
-
13.140918
-
Oleamide
Oleamide
ME650561
5283387
-
13.432424
-
Pentazocinetransacid
-
ME650572
-
-
8.264516
-
PEUCENIN
-
ME650575
-
-
7.810432
-
PEUCENIN+7.86186
-
ME650576
-
-
7.86186
-
PGE1alcohol
PGE1 alcohol
ME650577
5283054
-
12.734966
-
Phenoperidine
Phenoperidine
ME650578
11226
-
11.030127
-
Phenytoin-N-glucuronide
-
ME650582
-
-
3.6898904
-
Pinacidil+4.4089837
Pindac
ME650588
-
-
4.4089837
-
Pinacidil-N-Oxide
-
ME650589
-
-
3.1011295
-
PISCIDICACID
Piscidic acid
ME650591
120693
-
0.90952754
-
PISCIDICACID+0.9124123
Piscidic acid
ME650592
120693
-
0.9124123
-
ProGluTyr
Pro-Glu-Tyr
ME650593
-
-
1.2478721
-
ProHis
Pro-His
ME650594
-
-
3.690659
-
ProPheArg
Pro-Phe-Arg
ME650600
-
-
9.260476
-
Propionylglycinemethylester
-
ME650601
-
-
2.8957546
-
Propionylglycinemethylester+2.9428074
-
ME650602
-
-
2.9428074
-
ProProPhe
Pro-Pro-Phe
ME650603
-
-
11.31182
-
RETUSOQUINONE
-
ME650615
-
-
8.975693
-
RETUSOQUINONE+11.308531
-
ME650616
-
-
11.308531
-
RETUSOQUINONE+11.520966
-
ME650617
-
-
11.520966
-
SerHisSer
Ser-His-Ser
ME650620
-
-
0.98438114
-
SerSer
Ser-Ser
ME650621
-
-
0.922276
-
Succinoadenosine
Succinyladenosine
ME650625
14803430
-
3.2649343
-
Tetrahydrofuran
Tetrahydrofuran
ME650628
8028
-
3.9190598
-
TG(16:1(9Z)/20:0/22:3(10Z,13Z,16Z))[iso6]
TG 16:1(9Z)/20:0/22:3(10Z,13Z,16Z)*
ME650629
9544939
-
14.1093445
-
ThrHisGln
Thr-His-Gln
ME650630
-
-
11.223016
-
TRIACETIN
Triacetin
ME650635
5541
-
5.432373
-
Triparanol
Triparanol
ME650636
-
-
0.90861255
-
Triparanol+1.0181272
Triparanol
ME650637
-
-
1.0181272
-
Triparanol+1.2402513
Triparanol
ME650638
-
-
1.2402513
-
Triparanol+3.4729714
Triparanol
ME650639
-
-
3.4729714
-
TyrCysThr
Tyr-Cys-Thr
ME650640
-
-
0.8976853
-
TyrPro
Tyr-Pro
ME650643
-
-
5.2013116
-
TyrProArg
Tyr-Pro-Arg
ME650644
-
-
8.745844
-
URETHANE
Ethyl carbamate
ME650651
-
-
0.9460824
-
URETHANE+1.6414638
Ethyl carbamate
ME650652
-
-
1.6414638
-
URETHANE+1.9081365
Ethyl carbamate
ME650653
-
-
1.9081365
-
URETHANE+2.1131146
Ethyl carbamate
ME650654
-
-
2.1131146
-
VALERYLSALYCILATE
-
ME650658
-
-
8.961359
-
ValLysTyr
Val-Lys-Tyr
ME650662
-
-
6.6062884
-
Vanillacticacid
Vanillactic acid
ME650663
160637
-
0.8481707
-
VitaminD3glucosiduronate
Vitamin D3 glucosiduronate
ME650666
24779623
-
11.104068
-
Analysis: MS positive ion mode/HILIC
Select
Metabolite Name
RefMet Name/Standardized Name*
WorkBenchMetabolite_ID
PubChemCompound_ID
Kegg Id
Retentiontime/index
m/z ratio
Phosphoricacid
Phosphoric acid
ME651086
1004
C00009
1.0743574
-
D-Glucose
Glucose
ME650906
5793
C00031
1.4376115
-
Methionine
Methionine
ME651035
6137
C00073
3.3022783
-
Methionine+5.8419194
Methionine
ME651036
6137
C00073
5.8419194
-
Phenylalanine
Phenylalanine
ME651083
6140
C00079
5.6434836
-
Tyrosine
Tyrosine
ME651146
6057
C00082
5.8325195
-
Urea
Urea
ME651150
1176
C00086
2.0005844
-
Urea+5.5551605
Urea
ME651151
1176
C00086
5.5551605
-
Urea+5.805285
Urea
ME651152
1176
C00086
5.805285
-
beta-Alanine
beta-Alanine
ME650864
239
C00099
6.9533415
-
Uracil
Uracil
ME651149
1174
C00106
1.6304936
-
Leucine
Leucine
ME651015
6106
C00123
1.4374928
-
Leucine+1.5613806
Leucine
ME651016
6106
C00123
1.5613806
-
Leucine+5.754839
Leucine
ME651017
6106
C00123
5.754839
-
myo-Inositol
Myo-inositol
ME651045
892
C00137
2.0167408
-
myo-Inositol+2.8432112
Myo-inositol
ME651046
892
C00137
2.8432112
-
myo-Inositol+2.9682543
Myo-inositol
ME651047
892
C00137
2.9682543
-
Adenine
Adenine
ME650840
190
C00147
3.5001926
-
D-Proline
D-Proline
ME650928
145742
C00148
1.1703095
-
D-Proline+1.2886649
D-Proline
ME650929
145742
C00148
1.2886649
-
Proline
Proline
ME651096
145742
C00148
1.62507
-
Proline+6.318923
Proline
ME651097
145742
C00148
6.318923
-
Niacinamide
Niacinamide
ME651065
936
C00153
1.6127497
-
Niacinamide+6.1205544
Niacinamide
ME651066
936
C00153
6.1205544
-
5'-Methylthioadenosine
5'-Methylthioadenosine
ME650809
439176
C00170
1.9872547
-
5'-Methylthioadenosine+2.0272343
5'-Methylthioadenosine
ME650810
439176
C00170
2.0272343
-
Thymine
Thymine
ME651136
1135
C00178
1.533506
-
Valine
Valine
ME651161
6287
C00183
1.7190979
-
Valine+6.607372
Valine
ME651162
6287
C00183
6.607372
-
Dihydroxyacetone(glycerone)
Dihydroxyacetone
ME650918
670
C00184
2.6598465
-
Ethanolamine
Ethanolamine
ME650938
700
C00189
5.688696
-
Glutamicacidg-semialdehyde
D-Glutamic acid
ME650959
23327
C00217
2.5435653
-
Hypoxanthine
Hypoxanthine
ME650991
790
C00262
2.661659
-
Hypoxanthine+2.7886465
Hypoxanthine
ME650992
790
C00262
2.7886465
-
Hypoxanthine+2.8924232
Hypoxanthine
ME650993
790
C00262
2.8924232
-
a-Glucose
Glucose
ME650841
5793
C00267
2.7249827
-
Uridine
Uridine
ME651155
6029
C00299
2.1803114
-
Uridine+3.6324756
Uridine
ME651156
6029
C00299
3.6324756
-
Creatine
Creatine
ME650886
586
C00300
6.9535637
-
Glucosamine
Glucosamine
ME650957
441477
C00329
2.77261
-
Indoleacrylicacid
Indoleacrylic acid
ME650995
15030923
C00331
5.4290786
-
Indoleacrylicacid+5.5617023
Indoleacrylic acid
ME650996
15030923
C00331
5.5617023
-
gamma-Aminobutryicacid
gamma-Aminobutyric acid
ME650953
119
C00334
1.7883953
-
Ethanolaminephosphate(Phosphoethanolamine)
Phosphoethanolamine
ME650939
1015
C00346
2.1348555
-
L-DOPA
DOPA
ME651013
6047
C00355
1.5873882
-
L-DOPA+1.5934027
DOPA
ME651014
6047
C00355
1.5934027
-
Cytosine
Cytosine
ME650898
597
C00380
2.1924202
-
Cytosine+3.4505904
Cytosine
ME650899
597
C00380
3.4505904
-
Cytosine+3.9714646
Cytosine
ME650900
597
C00380
3.9714646
-
QH2
Ubiquinol-2
ME651110
5280344
C00390
1.0332882
-
Mannitol
Mannitol
ME651028
6251
C00392
3.3243914
-
Isoleucine
Isoleucine
ME651003
6306
C00407
4.3696966
-
Isoleucine+5.8270445
Isoleucine
ME651004
6306
C00407
5.8270445
-
Saccharopine
Saccharopine
ME651120
160556
C00449
1.0656519
-
Quinone
Quinone
ME651113
4650
C00472
2.6086233
-
Quinone+2.749271
Quinone
ME651114
4650
C00472
2.749271
-
Bilirubin
Bilirubin
ME650869
5280352
C00486
1.053295
-
Acrylicacid
Acrylic acid
ME650839
6581
C00511
2.5108657
-
L-arabitol
L-Arabitol
ME651012
439255
C00532
2.5139132
-
Pyridoxamine
Pyridoxamine
ME651106
1052
C00534
1.5767353
-
Pyridoxamine+1.8529507
Pyridoxamine
ME651107
1052
C00534
1.8529507
-
Methylglyoxal
Pyruvaldehyde
ME651039
880
C00546
2.4076753
-
Methylglyoxal+2.7206578
Pyruvaldehyde
ME651040
880
C00546
2.7206578
-
4-Aminobutyraldehyde
4-Aminobutyraldehyde
ME650784
118
C00555
4.729424
-
4-Aminobutyraldehyde+5.195078
4-Aminobutyraldehyde
ME650785
118
C00555
5.195078
-
4-Aminobutyraldehyde+5.277363
4-Aminobutyraldehyde
ME650786
118
C00555
5.277363
-
4-Aminobutyraldehyde+5.375335
4-Aminobutyraldehyde
ME650787
118
C00555
5.375335
-
4-Aminobutyraldehyde+5.6039686
4-Aminobutyraldehyde
ME650788
118
C00555
5.6039686
-
4-Aminobutyraldehyde+5.848556
4-Aminobutyraldehyde
ME650789
118
C00555
5.848556
-
Deoxyadenosine
Deoxyadenosine
ME650904
13730
C00559
2.0710545
-
Trimethylamine
Trimethylamine
ME651140
1146
C00565
5.749361
-
p-Aminobenzoicacid
p-Aminobenzoic acid
ME651079
978
C00568
6.692587
-
2-Deoxyglucose
2-Deoxy-glucose
ME650740
45038823
C00586
2.0323977
-
N1-Acetylspermidine
N1-Acetylspermidine
ME651054
496
C00612
8.6673765
-
Pyridine
Pyridine
ME651105
1049
C00747
1.2696503
-
Urocanicacid
Urocanic acid
ME651157
736715
C00785
1.6775521
-
Urocanicacid+2.9059389
Urocanic acid
ME651158
736715
C00785
2.9059389
-
Creatinine
Creatinine
ME650887
588
C00791
3.9838839
-
Creatinine+4.0809956
Creatinine
ME650888
588
C00791
4.0809956
-
Creatinine+6.952171
Creatinine
ME650889
588
C00791
6.952171
-
Creatinine+6.9548173
Creatinine
ME650890
588
C00791
6.9548173
-
Acetoin
Acetoin
ME650833
179
C00810
1.1056228
-
Acetoin+1.1832042
Acetoin
ME650834
179
C00810
1.1832042
-
Acetoin+1.2121301
Acetoin
ME650835
179
C00810
1.2121301
-
Acetoin+1.6291414
Acetoin
ME650836
179
C00810
1.6291414
-
PantothenicAcid
Pantothenic acid
ME651080
988
C00864
2.5324152
-
4-Guanidinobutanoate
4-Guanidinobutanoic acid
ME650794
500
C01035
6.094726
-
8-Amino-7-oxononanoate
8-Amino-7-oxononanoic acid
ME650819
25244029
C01092
1.4420108
-
TrimethylamineN-oxide
Trimethylamine N-oxide
ME651141
1145
C01104
1.8094199
-
Hydroxylysine
5-Hydroxylysine
ME650990
1029
C01211
2.141262
-
1-Aminocyclopropane-1-carboxylicacid
1-Aminocyclopropanecarboxylic acid
ME650704
535
C01234
2.5020857
-
1-Aminocyclopropane-1-carboxylicacid+3.3449767
1-Aminocyclopropanecarboxylic acid
ME650705
535
C01234
3.3449767
-
D-1-Piperideine-2-carboxylicacid
D-1-Piperideine-2-carboxylic acid
ME650901
1194
C01258
2.064831
-
Ethyleneglycol
Ethylene glycol
ME650942
174
C01380
1.9979451
-
Octane
Octane
ME651075
53627487
C01387
6.953049
-
Queuine
Queuine
ME651112
114881
C01449
6.171525
-
Allysine
Allysine
ME650846
207
C01475
2.0637162
-
n-HexanoicAcid
Caproic acid
ME651063
8892
C01585
1.2316804
-
Cadaverine
Cadaverine
ME650878
273
C01672
4.14774
-
Cadaverine+2.9010873
Cadaverine
ME650879
273
C01672
2.9010873
-
Pyroglutamicacid
Pyroglutamic acid
ME651108
7405
C01879
5.8467355
-
Pyroglutamicacid+6.857936
Pyroglutamic acid
ME651109
7405
C01879
6.857936
-
5-Hydroxypyrazinamide
5-Hydroxypyrazinamide
ME650807
151823
C01956
2.968515
-
o-Hydroxyaniline
2-Aminophenol
ME651077
5801
C01987
6.0220594
-
4-Hydroxyindole
4-Hydroxyindole
ME650796
75421
C02040
6.6085267
-
Glycyl-L-leucine
Gly-Leu
ME650965
92843
C02155
2.1221306
-
ISOPIMPINELLIN
Isopimpinellin
ME651006
68079
C02162
2.8305004
-
2-Hydroxyadipicacid
2-Hydroxyadipic acid
ME650744
193530
C02360
2.0382087
-
2-Hydroxyadipicacid+2.4058414
2-Hydroxyadipic acid
ME650745
193530
C02360
2.4058414
-
5-Methylcytosine
5-Methylcytosine
ME650808
65040
C02376
5.125947
-
1-Methyladenosine
1-Methyladenosine
ME650715
27476
C02494
6.082388
-
Estronesulfate
Estrone 3-sulfate
ME650935
3001028
C02538
2.0368505
-
Ne-Methyl-L-lysine
N(6)-Methyllysine
ME651059
164795
C02728
2.877624
-
Hydroxyhydroquinone
1,2,4-Trihydroxybenzene
ME650988
10787
C02814
2.358413
-
Hydroxyhydroquinone+2.445746
1,2,4-Trihydroxybenzene
ME650989
10787
C02814
2.445746
-
Cytarabine
Cytarabine
ME650897
6253
C02961
3.9483743
-
GuanidinosuccinicAcid
Guanidinosuccinic acid
ME650982
439918
C03139
5.7823167
-
D-Leucicacid
D-Leucic acid
ME650924
439960
C03264
1.6581211
-
D-Leucicacid+1.786733
D-Leucic acid
ME650925
439960
C03264
1.786733
-
D-Leucicacid+2.1470613
D-Leucic acid
ME650926
439960
C03264
2.1470613
-
PhthalicacidMono-2-ethylhexylEster
Monoethylhexyl phthalic acid
ME651087
20393
C03343
1.036353
-
D-4-Hydroxyphenylglycine
D-4-Hydroxyphenylglycine
ME650902
89853
C03493
1.6808326
-
2-Aminoisobutyricacid
Aminoisobutyric acid
ME650737
6119
C03665
2.0614543
-
1-Methylguanine
1-Methylguanine
ME650716
70315
C04152
3.7619433
-
N,N-dimethylhistidine
N,N-Dimethylhistidine
ME651051
440274
C04259
4.701541
-
1-Methylguanosine
1-Methylguanosine
ME650717
96373
C04545
3.1231587
-
Nalidixicacid
Nalidixic acid
ME651057
4421
C05079
2.0417826
-
p-HYDROXYCINNAMALDEHYDE
(E)-3-(4-Hydroxyphenyl)-2-propenal
ME651088
641301
C05608
1.1381032
-
Acetamide
Acetamide
ME650830
178
C06244
1.9022491
-
Acetamide+2.171166
Acetamide
ME650831
178
C06244
2.171166
-
Acetamide+2.8501768
Acetamide
ME650832
178
C06244
2.8501768
-
Isoquinoline
Isoquinoline
ME651007
57417613
C06323
3.7790372
-
Terephthalicacid
Terephthalic acid
ME651132
7489
C06337
1.0190651
-
OctanoicAcid
Caprylic acid
ME651076
379
C06423
1.1346442
-
4,6-Diamino-5-formamidopyrimidine
FAPy-adenine
ME650783
114926
C06502
3.4938927
-
Harmalol
Harmalol
ME650985
5353656
C06537
0.74749684
-
Harmalol+1.3159521
Harmalol
ME650986
5353656
C06537
1.3159521
-
epsilon-Caprolactam
Epsilon-caprolactam
ME650933
7768
C06593
1.410332
-
epsilon-Caprolactam+6.254129
Epsilon-caprolactam
ME650934
7768
C06593
6.254129
-
Trolamine
Triethanolamine
ME651143
7618
C06771
5.6840854
-
Diethanolamine
Diethanolamine
ME650909
8113
C06772
5.4951634
-
Diethanolamine+5.564596
Diethanolamine
ME650910
8113
C06772
5.564596
-
Diethanolamine+5.6714797
Diethanolamine
ME650911
8113
C06772
5.6714797
-
Diethanolamine+5.748325
Diethanolamine
ME650912
8113
C06772
5.748325
-
Diethanolamine+5.846524
Diethanolamine
ME650913
8113
C06772
5.846524
-
Atenolol
Atenolol
ME650858
2249
C06833
1.0767765
-
Nitrosobenzene
Nitrosobenzene
ME651067
11473
C06876
2.3726754
-
Chlorambucil
Chlorambucil
ME650883
2708
C06900
2.0694578
-
Clofazimine
Clofazimine
ME650885
2794
C06915
2.075692
-
Diazepam
Diazepam
ME650908
3016
C06948
2.0690424
-
Hydromorphone
Hydromorphone
ME650987
3648
C07042
1.1200658
-
Isoniazid
Isoniazid
ME651005
3767
C07054
1.293658
-
Lidocaine
Lidocaine
ME651022
3676
C07073
3.362667
-
Vidarabine
Vidarabine
ME651163
32326
C07195
2.9064136
-
Zalcitabine
Zalcitabine
ME651167
24066
C07207
2.4351428
-
SIBUTRAMINE
Sibutramine
ME651124
64764
C07247
1.2062917
-
Nevirapine
Nevirapine
ME651061
4463
C07263
1.4974022
-
Promazine
Promazine
ME651098
657285
C07379
6.1344237
-
Pentamidine
Pentamidine
ME651081
4735
C07420
1.1574819
-
Theobromine
Theobromine
ME651135
5429
C07480
1.3522032
-
Caffeine
Caffeine
ME650880
2519
C07481
1.283056
-
Phenylethylmalonamide(PEMA)
Phenylethylmalonamide
ME651084
23611
C07499
2.9208274
-
Vigabatrin
Vigabatrin
ME651164
5665
C07500
1.3712684
-
Vigabatrin+3.9734793
Vigabatrin
ME651165
5665
C07500
3.9734793
-
Ethosuximide
Ethosuximide
ME650940
3291
C07505
1.5741514
-
Ethosuximide+2.087851
Ethosuximide
ME650941
3291
C07505
2.087851
-
Pteridine
Pteridine
ME651102
57421628
C07581
2.4102843
-
Netilmicin
Netilmicin
ME651060
441306
C07657
4.15053
-
carisoprodol
Carisoprodol
ME650881
2576
C07927
9.42144
-
MELOXICAM
Meloxicam
ME651030
54677470
C08169
5.6432877
-
Indospicine
Indospicine
ME650997
108010
C08288
6.226758
-
N,N-Dimethyltryptamine(DMT)
Dimethyltryptamine
ME651052
6089
C08302
4.1507707
-
AMBELLINE
Ambelline
ME650849
494154
C08517
2.0679374
-
Visnagin
Visnagin
ME651166
6716
C09049
2.03279
-
FISETINIDOL
Fisetinidol
ME650943
442397
C09735
1.9527029
-
BERGENIN
Bergenin
ME650863
66065
C09919
2.0719745
-
HAEMATOXYLIN
Haematoxylin
ME650984
442514
C09931
2.048734
-
ARECOLINE
Arecoline
ME650853
2230
C10129
1.4809891
-
GUVACINE
Guvacine
ME650983
11957555
C10149
5.383943
-
ISOSAFROLE
Isosafrole
ME651008
637796
C10472
1.039306
-
ISOSAFROLE+1.0990015
Isosafrole
ME651009
637796
C10472
1.0990015
-
Ecgonine
Ecgonine
ME650931
443003
C10858
6.5920157
-
2-Pyrrolidinone
2-Pyrrolidinone
ME650755
12025
C11118
1.5886047
-
2-Pyrrolidinone+1.2372307
2-Pyrrolidinone
ME650756
12025
C11118
1.2372307
-
2-Pyrrolidinone+1.7921468
2-Pyrrolidinone
ME650757
12025
C11118
1.7921468
-
2-Pyrrolidinone+2.0653365
2-Pyrrolidinone
ME650758
12025
C11118
2.0653365
-
2-Pyrrolidinone+2.8527431
2-Pyrrolidinone
ME650759
12025
C11118
2.8527431
-
2-Pyrrolidinone+3.3021889
2-Pyrrolidinone
ME650760
12025
C11118
3.3021889
-
2-Pyrrolidinone+3.7918653
2-Pyrrolidinone
ME650761
12025
C11118
3.7918653
-
dimethylsulfoxide
Dimethyl sulfoxide
ME650920
679
C11143
1.845231
-
SUCCINYLSULFATHIAZOLE
Succinylsulfathiazole
ME651127
5315
C11745
2.9261937
-
10-Deoxymethynolide
10-Deoxymethynolide
ME650688
5282031
C11993
6.0127654
-
Glutaral(Glutaraldehyde)
Glutaral
ME650960
3485
C12518
1.1516403
-
Glutaral(Glutaraldehyde)+1.3310467
Glutaral
ME650961
3485
C12518
1.3310467
-
Glutaral(Glutaraldehyde)+1.4975418
Glutaral
ME650962
3485
C12518
1.4975418
-
Glutaral(Glutaraldehyde)+2.2141192
Glutaral
ME650963
3485
C12518
2.2141192
-
Tranexamicacid
Tranexamic acid
ME651137
-
C12535
1.5735675
-
Tranexamicacid+1.6785449
Tranexamic acid
ME651138
-
C12535
1.6785449
-
Tranexamicacid+6.7117825
Tranexamic acid
ME651139
-
C12535
6.7117825
-
Glymidine
Glycodiazine
ME650969
9565
C12791
3.8564415
-
ROXITHROMYCIN
Roxithromycin
ME651119
5106
C13173
5.7121305
-
GABOXADOL
-
ME650949
3448
C13693
7.3445373
-
Pinacidil
Pindac
ME651090
55329
C13729
6.5456667
-
dodecanamide
Dodecanamide
ME650927
14256
C13831
1.1358176
-
PROPOXUR
Propoxur
ME651099
4944
C14334
1.3740437
-
Phenylmethylmethylketone
Phenylacetone
ME651085
7678
C15512
1.0930887
-
12-oxo-9(Z)-dodecenoicacid
12-Oxo-9Z-dodecenoic acid
ME650698
9548789
C16311
1.20553
-
2-Hydroxyfelbamate
2-Hydroxyfelbamate
ME650746
10400039
C16582
6.121327
-
p-Hydroxyfelbamate
p-Hydroxyfelbamate
ME651089
9921310
C16584
3.0563953
-
Pregnenolonesulfate
Pregnenolone sulfate
ME651094
152971
C18044
1.0708743
-
11-amino-undecanoicacid
11-Aminoundecanoic acid
ME650691
17083
C19325
4.9766893
-
OXYQUINOLINE
Quinolin-8-ol
ME651078
1923
C19434
1.1714046
-
Succinicanhydride
Succinic anhydride
ME651126
7922
C19524
2.4084113
-
ROSIGLITAZONE
Rosiglitazone
ME651118
77999
D00596
2.0450335
-
ACECLIDINE
Aceclidine
ME650829
1979
D02750
1.4386431
-
10-hydroxy-8E-Decene-2,4,6-triynoicacid
-
ME650689
9543623
-
1.0517249
-
1-(11E-octadecenoyl)-rac-glycerol
MG 18:1
ME650681
5319879
-
1.1194398
-
11alpha-(chloromethyl)-1alpha,25-dihydroxyvitaminD...
-
ME650690
9547468
-
1.122361
-
12beta-Hydroxy-3-oxo-5beta-cholan-24-oicAcid
12beta-Hydroxy-3-oxo-5beta-cholan-24-oic acid
ME650692
154474
-
1.0174447
-
12beta-Hydroxy-3-oxo-5beta-cholan-24-oicAcid+1.063...
12beta-Hydroxy-3-oxo-5beta-cholan-24-oic acid
ME650693
154474
-
1.0630202
-
12beta-Hydroxy-3-oxo-5beta-cholan-24-oicAcid+2.039...
12beta-Hydroxy-3-oxo-5beta-cholan-24-oic acid
ME650694
154474
-
2.0397031
-
12beta-Hydroxy-3-oxo-5beta-cholan-24-oicAcid+2.874...
12beta-Hydroxy-3-oxo-5beta-cholan-24-oic acid
ME650695
154474
-
2.8745131
-
12-oxo-10Z-dodecenoicacid
12-Oxo-10Z-dodecenoic acid
ME650696
5312890
-
1.0607969
-
12-oxo-14,18-dihydroxy-9Z,13E,15Z-octadecatrienoic...
-
ME650697
5312914
-
1.0577712
-
1-(2-Pyrimidyl)piperazine
1-(2-Pyrimidyl)piperazine
ME650682
-
-
5.1983747
-
1-(2-Pyrimidyl)piperazine+4.8126073
1-(2-Pyrimidyl)piperazine
ME650683
-
-
4.8126073
-
1-(2-Pyrimidyl)piperazine+5.3179626
1-(2-Pyrimidyl)piperazine
ME650684
-
-
5.3179626
-
1-(6-[5]-ladderane-hexanoyl)-2-(8-[3]-ladderane-oc...
-
ME650685
24778513
-
0.9692778
-
1-(7Z,10Z,13Z,16Z-docosatetraenoyl)-2-(7Z,10Z,13Z,...
DG 22:4_22:5
ME650686
9543966
-
1.076597
-
(17Z)-1alpha,25-dihydroxy-26,27-dimethyl-17,20,22,...
-
ME650670
9547500
-
1.027305
-
1-(9Z,12Z-octadecadienoyl)-rac-glycerol
MG 18:2
ME650687
5283469
-
1.091412
-
1a,1b-dihomo-PGJ2
1a,1b-Dihomo-PGJ2
ME650699
16061093
-
1.0302194
-
1alpha,18-dihydroxyvitaminD_3/1alpha,18-dihydroxyc...
-
ME650700
5283733
-
1.0877329
-
1alpha,25-dihydroxy-24-oxovitaminD_3/1alpha,25-dih...
1alpha,25-Dihydroxy-24-oxovitamin D3
ME650701
5283703
-
1.1525167
-
1alpha,25-dihydroxy-2beta-(2-hydroxyethoxy)vitamin...
-
ME650702
9547546
-
1.0438197
-
1-Aminocyclohexanecarboxylicacid
1-Azaniumylcyclohexane-1-carboxylate
ME650703
1366
-
1.6656684
-
1-eicosanoyl-rac-glycerol
MG 20:0
ME650706
53480981
-
1.0666509
-
1-heptadecanoyl-2-(9Z-heptadecenoyl)-3-eicosanoyl-...
-
ME650707
9544142
-
5.488344
-
1-heptadecanoyl-2-(9Z-tetradecenoyl)-sn-glycero-3-...
-
ME650708
-
-
5.0416803
-
1-heptadecanoyl-2-(9Z-tetradecenoyl)-sn-glycero-3-...
-
ME650709
-
-
5.069642
-
1-hexadecanoyl-sn-glycerol
MG 16:0/0:0/0:0
ME650710
3084463
-
1.0825036
-
1-Hexadecylamine
1-Hexadecylamine
ME650711
8926
-
2.764756
-
1-Hexadecylamine+3.8312354
1-Hexadecylamine
ME650712
8926
-
3.8312354
-
1-L-Leucyl-L-Proline
Leu-Pro
ME650713
-
-
7.864313
-
1-L-Leucyl-L-Proline+8.0396595
Leu-Pro
ME650714
-
-
8.0396595
-
1-Methylinosine
1-Methylinosine
ME650718
65095
-
2.4437697
-
1-octadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-ph...
PS 18:0_18:1
ME650719
9547087
-
5.0750914
-
1-octadecanoyl-rac-glycerol
MG 18:0
ME650720
-
-
1.0739243
-
1-octadecanoyl-rac-glycerol+2.8676724
MG 18:0
ME650721
-
-
2.8676724
-
1-octadecanoyl-rac-glycerol+2.8791285
MG 18:0
ME650722
-
-
2.8791285
-
1-Phenyl-2-(diethylamino)-1-propanol
-
ME650723
-
-
1.1024023
-
20alpha-Dihydroprednisolone
20alpha-dihydroprednisolone
ME650726
13962391
-
2.0536978
-
20-oxo-heneicosanoicacid
20-Oxoheneicosanoic acid
ME650727
5312924
-
1.0734895
-
(22E,24E,26E)-1alpha,26b-dihydroxy-22,23,24,25,26,...
-
ME650671
9547460
-
1.0460626
-
2,3-Dihydroxyvalericacid
2,3-Dihydroxyvaleric acid
ME650724
20848966
-
2.3090968
-
2,3-Dihydroxyvalericacid+2.514446
2,3-Dihydroxyvaleric acid
ME650725
20848966
-
2.514446
-
(24S)-1alpha,24-dihydroxy-22-oxavitaminD3/(24S)-1a...
-
ME650672
9547313
-
1.019063
-
(24S)-1alpha,24-dihydroxy-22-oxavitaminD3/(24S)-1a...
-
ME650673
9547313
-
2.0631058
-
(24S)-1alpha,24-dihydroxy-22-oxavitaminD3/(24S)-1a...
-
ME650674
9547313
-
2.8750935
-
25,26-epoxy-1alpha-hydroxy-23,23,24,24-tetradehydr...
-
ME650728
-
-
4.4255705
-
2-Amino-2-methyl-1-propanol
-
ME650729
-
-
1.5587093
-
2-Amino-2-methyl-1-propanol+1.5500723
-
ME650730
-
-
1.5500723
-
2-Amino-2-methyl-1-propanol+4.6976533
-
ME650731
-
-
4.6976533
-
2-Amino-2-methyl-1-propanol+5.204487
-
ME650732
-
-
5.204487
-
2-Amino-2-methyl-1-propanol+5.330971
-
ME650733
-
-
5.330971
-
2-Amino-2-methyl-1-propanol+5.5505433
-
ME650734
-
-
5.5505433
-
2-Amino-3-methyl-1-butanol
-
ME650735
-
-
5.749084
-
2-Amino-4-chloro-6-methylpyrimidine
2-Amino-4-chloro-6-methylpyrimidine
ME650736
21810
-
2.360858
-
2-Aminopropanol
2-Aminopropanol
ME650738
-
-
6.3115473
-
2-Aminopropanol+1.6490082
2-Aminopropanol
ME650739
-
-
1.6490082
-
2-glyceryl-PGE2
2-Glyceryl-PGE2
ME650741
24778488
-
1.1363498
-
2-Heptenedioicacid,4-oxo-
-
ME650742
-
-
1.9972812
-
2-hexacosanamidoethanesulfonicacid
-
ME650743
-
-
0.99750084
-
2-Methyl-3-ketovalericacid
2-Methyl-3-ketovaleric acid
ME650747
189028
-
2.2828681
-
2-Methylbutyrylglycine
2-Methylbutyrylglycine
ME650748
193872
-
6.5662055
-
2-Octenedioicacid
2-Octenedioic acid
ME650749
225490
-
1.2225144
-
2-octynoicacid
2-Octynoic acid
ME650750
21872
-
1.18695
-
2-Oxovalericacid
2-Oxovaleric acid
ME650751
-
-
2.311014
-
2-Oxovalericacid+2.51439
2-Oxovaleric acid
ME650752
-
-
2.51439
-
2-pentadecenoicacid
2-Pentadecenoic acid
ME650753
5282742
-
1.014031
-
2-Pyridylacetylglycine
-
ME650754
-
-
2.4319968
-
2R-aminoheptanoicacid
2R-Aminoheptanoic acid
ME650762
-
-
1.2942362
-
3,3,45-Tetrahydroxystilbene
-
ME650764
-
-
1.629852
-
3,4-Dehydrochlorambucil
3,4-Dehydrochlorambucil
ME650765
6442054
-
2.0864882
-
3,5-hexadienoicacid
3,5-Hexadienoic acid
ME650766
5312594
-
1.0575975
-
3a,6b,7a,12a-Tetrahydroxy-5b-cholanoicacid
3alpha,6beta,7alpha,12alpha-Tetrahydroxy-5beta-cholan-24-oic acid
ME650767
5283899
-
1.9761233
-
3-Amino-2-piperidone
3-Amino-2-piperidone
ME650768
5200225
-
5.6434126
-
3-Amino-2-piperidone+5.8495975
3-Amino-2-piperidone
ME650769
5200225
-
5.8495975
-
3-Aminoquinoline
3-Aminoquinoline
ME650770
11375
-
1.6621644
-
3-(a-Naphthoxy)lacticacid
-
ME650763
-
-
5.568612
-
3beta-Hydroxychol-4-en-24-oicAcid
3beta-Hydroxychol-4-en-24-oic acid
ME650771
5283964
-
5.6569257
-
3E,5E-tridecadienoicacid
3E,5E-Tridecadienoic acid
ME650772
5312396
-
1.1883309
-
3-hexenal
3-Hexenal
ME650773
643139
-
4.3949823
-
3-Hydroxy-N-glycyl-2,6-xylidine(3-Hydroxyglycinexy...
-
ME650774
-
-
1.6621597
-
3-ketopalmiticacid
3-Ketopalmitic acid
ME650775
5282997
-
1.0943156
-
3-Methylamino-1,2-propandiol
-
ME650776
-
-
6.36957
-
3-methyl-hexanoicacid
3-Methylcaproic acid
ME650777
95315
-
1.2008324
-
3-Nitrotyrosine
Nitrotyrosine
ME650778
235719
-
2.180876
-
3-oxo-4-pentenoicacid
3-Oxo-4-pentenoic acid
ME650779
-
-
1.2264602
-
3-oxo-4-pentenoicacid+2.3765612
3-Oxo-4-pentenoic acid
ME650780
-
-
2.3765612
-
3-oxo-4-pentenoicacid+2.409796
3-Oxo-4-pentenoic acid
ME650781
-
-
2.409796
-
3-oxo-4-pentenoicacid+2.7539575
3-Oxo-4-pentenoic acid
ME650782
-
-
2.7539575
-
4-Aminophenyl1-thio-beta-D-glucuronide
-
ME650790
-
-
2.3653512
-
4-Aminophenyl1-thio-beta-D-glucuronide+2.5971124
-
ME650791
-
-
2.5971124
-
4-Aminophenyl1-thio-beta-D-glucuronide+2.8369641
-
ME650792
-
-
2.8369641
-
4-dodecynoicacid
4-Dodecynoic acid
ME650793
5312607
-
1.1849339
-
4-hydroxyenanthoicacid
4-Hydroxyenanthoic acid
ME650795
2750948
-
5.878981
-
4-Hydroxypyridine
4-Pyridone
ME650797
-
-
1.308525
-
4-Hydroxypyridine+3.0643036
4-Pyridone
ME650798
-
-
3.0643036
-
4-Hydroxypyridine+4.290232
4-Pyridone
ME650799
-
-
4.290232
-
5,6-DiHETrE-EA
5,6-DiHETrE-EA
ME650800
16061178
-
1.19925
-
5,6-Dihydrouridine
5,6-Dihydrouridine
ME650801
94312
-
1.767733
-
5,7-nonadienoicacid
5,7-Nonadienoic acid
ME650802
-
-
1.1939015
-
5,7-nonadienoicacid+1.1411649
5,7-Nonadienoic acid
ME650803
-
-
1.1411649
-
5-amino-1-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2...
-
ME650804
266934
-
2.958436
-
5beta-cholestane
5beta-Cholestane
ME650805
10202
-
2.7904081
-
5-Ethyl-5-(1-methyl-3-carboxypropyl)barbituricacid
-
ME650806
-
-
2.8271143
-
5-oxo-7-decynoicacid
5-Oxo-7-Decynoic acid
ME650811
5312701
-
1.1634408
-
5-S-Cysteinyldopamine
5-S-Cysteinyldopamine
ME650812
122084
-
1.1335433
-
6,8-dihydroxy-octanoicacid
6,8-Dihydroxyoctanoic acid
ME650813
-
-
1.7909453
-
6-Formylindolo[3,2-B]carbazole
6-Formylindolo[3,2-B]carbazole
ME650814
1863
-
5.4312034
-
6-hydroxy-2-hexynoicacid
6-Hydroxy-2-hexynoic acid
ME650815
5312826
-
2.0531142
-
7alpha-(Thiomethyl)spironolactone
-
ME650816
-
-
1.2550132
-
7-Aminoclonazepam
7-Aminoclonazepam
ME650817
188298
-
2.0696318
-
7-Desmethylprazosin
-
ME650818
-
-
2.065095
-
8-AminoCaprylicacid
8-Aminooctanoic acid
ME650820
66085
-
6.692213
-
8-AminoCaprylicacid+6.1462584
8-Aminooctanoic acid
ME650821
66085
-
6.1462584
-
8-Hydroxypromazine
-
ME650822
-
-
3.0588772
-
8-methoxy-13-hydroxy-9,11-octadecadienoicacid
8-Methoxy-13-hydroxy-9,11-octadecadienoic acid
ME650823
5283022
-
1.1073674
-
9-amino-nonanoicacid
9-Aminononanoic acid
ME650824
136877
-
4.493635
-
9-hexadecen-1-ol
9-Hexadecen-1-ol
ME650825
5283282
-
3.9863882
-
9-oxo-2E-decenoicacid
9-Oxo-2E-decenoic acid
ME650826
-
-
1.1308458
-
9-oxo-2E-decenoicacid+1.1382291
9-Oxo-2E-decenoic acid
ME650827
-
-
1.1382291
-
9-pentadecen-1-ol
9-Pentadecen-1-ol
ME650828
5283299
-
3.9669402
-
(9R,13R)-1a,1b-dihomo-jasmonicacid
-
ME650675
5716900
-
1.0184582
-
ACETYLTYROSINEETHYLESTER
-
ME650837
-
-
1.9412985
-
Acipimox
Acipimox
ME650838
39880
-
2.1824121
-
AlaLeu
Ala-Leu
ME650842
259583
-
7.0966578
-
AlanineDimer
-
ME650843
-
-
4.5637074
-
Allocortol
-
ME650844
-
-
1.151882
-
Allopurinol-1-ribonucleoside
-
ME650845
-
-
2.8979604
-
alpha-Ketopantoicacid
2-Dehydropantoic acid
ME650847
-
-
1.0995847
-
alpha-Ketopantoicacid+1.846147
2-Dehydropantoic acid
ME650848
-
-
1.846147
-
Anandamide(20:2,n-6)
Eicosadienoyl-EA
ME650850
5283444
-
1.1251303
-
Anandamide(20:2,n-6)+1.2057526
Eicosadienoyl-EA
ME650851
5283444
-
1.2057526
-
ANCITABINE
Ancitabine
ME650852
25051
-
3.4031243
-
ArgGluGlu
Arg-Glu-Glu
ME650854
-
-
1.0864376
-
AsnAspHis
Asn-Asp-His
ME650855
-
-
2.793923
-
AspHisCys
Asp-His-Cys
ME650856
-
-
1.9411781
-
AspSerTrp
Asp-Ser-Trp
ME650857
-
-
2.0612695
-
AVOCADENEACETATE
-
ME650859
-
-
1.1454145
-
AVOCADENEACETATE+2.1598163
-
ME650860
-
-
2.1598163
-
Barbital
5,5-Diethylbarbituric acid
ME650861
2294
-
2.0813613
-
Benserazide
Benserazide
ME650862
26964
-
3.4553032
-
beta-vinylacrylicacid
beta-Vinyl acrylic acid
ME650865
642034
-
2.3251603
-
beta-vinylacrylicacid+2.5160997
beta-Vinyl acrylic acid
ME650866
642034
-
2.5160997
-
Betaxolol(hydroxylation)
-
ME650867
-
-
1.1520224
-
bicyclo-PGE2
Bicyclo-PGE2
ME650868
5283043
-
4.9779577
-
Bis(2-hydroxypropyl)amine
-
ME650870
-
-
4.872213
-
Bis(2-hydroxypropyl)amine+5.2876635
-
ME650871
-
-
5.2876635
-
Bis(2-hydroxypropyl)amine+5.4374814
-
ME650872
-
-
5.4374814
-
Bis(2-hydroxypropyl)amine+5.586841
-
ME650873
-
-
5.586841
-
Bis(2-hydroxypropyl)amine+5.7725563
-
ME650874
-
-
5.7725563
-
B-Octylglucoside
beta-Octylglucoside
ME650875
5326987
-
1.1517392
-
B-ureidoisobutyricacid
-
ME650876
-
-
4.1834793
-
C17Sphinganine
C17 Sphinganine
ME650877
3247037
-
4.000719
-
cefamandolenafate
-
ME650882
-
-
2.051966
-
Chloramphenicolalcohol
-
ME650884
-
-
2.9011784
-
cyclohexylammonium
Cyclohexylamine
ME650891
-
-
2.7503557
-
cyclohexylammonium+4.5735426
Cyclohexylamine
ME650892
-
-
4.5735426
-
cyclohexylammonium+4.575918
Cyclohexylamine
ME650893
-
-
4.575918
-
cyclohexylammonium+4.9548774
Cyclohexylamine
ME650894
-
-
4.9548774
-
Cyclopenthiazide
Cyclopenthiazide
ME650895
2904
-
2.889591
-
CysAsnThr
Cys-Asn-Thr
ME650896
-
-
5.443667
-
DALBERGIONE,4-METHOXY-4'-HYDROXY-
-
ME650903
-
-
3.2476592
-
Desmethylnimodipine
-
ME650905
-
-
1.0483015
-
D-Homoserine
D-Homoserine
ME650907
2724170
-
3.895079
-
Diethylpropion(metaboliteXIGlucuronide)
-
ME650914
-
-
2.0646708
-
DihydroceramideC2
-
ME650915
-
-
1.1867344
-
Dihydrolevobunolol
Dihydrolevobunolol
ME650916
162349
-
1.0526448
-
DIHYDROROTENONE
Dihydrorotenone
ME650917
73068
-
2.0640757
-
Dihydroxylycopene/OH-Rhodopin
Dihydroxylycopene
ME650919
14502754
-
0.9843983
-
Dinorpromazine
-
ME650921
-
-
3.0671084
-
DIPLOSALSALATE
-
ME650922
-
-
1.1935428
-
Distearylphosphatidylethanolamine
PE 18:0/18:0
ME650923
447078
-
5.013603
-
(E)-2-Methylglutaconicacid
2-Methylglutaconic acid
ME650676
-
-
2.3901544
-
(E)-2-Methylglutaconicacid+2.4171734
2-Methylglutaconic acid
ME650677
-
-
2.4171734
-
(E)-2-Methylglutaconicacid+2.6466348
2-Methylglutaconic acid
ME650678
-
-
2.6466348
-
(E)-2-Methylglutaconicacid+2.796564
2-Methylglutaconic acid
ME650679
-
-
2.796564
-
(E)-2-Methylglutaconicacid+7.1963344
2-Methylglutaconic acid
ME650680
-
-
7.1963344
-
EB1213
-
ME650930
24779651
-
1.0182985
-
EPICATECHINPENTAACETATE
-
ME650932
-
-
2.0700083
-
EthacrynicacidM1
Ethacrynic acid
ME650936
-
-
2.8695812
-
Ethambutolaldehyde
-
ME650937
-
-
6.662233
-
Fluoresceinmonoglucuronide
-
ME650944
-
-
1.9473327
-
fluphenazineenanthate
-
ME650945
-
-
1.1140857
-
Formimino-L-glutamicacid
Formiminoglutamic acid
ME650946
-
-
2.8815124
-
Formimino-L-glutamicacid+5.156737
Formiminoglutamic acid
ME650947
-
-
5.156737
-
Furafylline
Furafylline
ME650948
3433
-
3.0534375
-
Galalpha1-3Galbeta1-4GlcNAcbeta-Sp
-
ME650950
-
-
1.1727678
-
Galbeta1-4GlcNAcbeta-Sp
-
ME650951
-
-
1.0944753
-
Galbeta1-4GlcNAcbeta-Sp+1.1554335
-
ME650952
-
-
1.1554335
-
GlnHisPhe
Gln-His-Phe
ME650954
-
-
1.1402742
-
GlnLysGlu
Gln-Lys-Glu
ME650955
-
-
1.1261076
-
GlnProLys
Gln-Pro-Lys
ME650956
-
-
1.797374
-
GluGlnAsn
Glu-Gln-Asn
ME650958
-
-
2.909095
-
Glutarylglycine
Glutarylglycine
ME650964
23592950
-
2.5022757
-
GlyGlyAsp
Gly-Gly-Asp
ME650966
-
-
7.2766438
-
GlyGlyGly
Gly-Gly-Gly
ME650967
11161
-
2.0779502
-
GlyLysSer
Gly-Lys-Ser
ME650968
-
-
1.0372667
-
GPEtn(13:0/15:0)[U]
PE 13:0/15:0*
ME650970
-
-
1.082086
-
GPEtn(18:1(11Z)/18:1(9Z))[U]
PE 18:1(11Z)/18:1(9Z)
ME650971
-
-
1.5878775
-
GPEtn(18:1(11Z)/18:1(9Z))[U]+1.866684
PE 18:1(11Z)/18:1(9Z)
ME650972
-
-
1.866684
-
GPEtn(18:1(11Z)/18:1(9Z))[U]+2.269305
PE 18:1(11Z)/18:1(9Z)
ME650973
-
-
2.269305
-
GPEtn(18:1(11Z)/18:1(9Z))[U]+2.4521847
PE 18:1(11Z)/18:1(9Z)
ME650974
-
-
2.4521847
-
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)*
ME650975
-
-
5.330537
-
GPEtnNMe(18:1(9Z)/18:1(9Z))[U]
-
ME650976
-
-
5.1205587
-
GPIns(16:0/18:1(9Z))
PI 16:0/18:1(9Z)
ME650977
-
-
3.1381605
-
GPIns(16:0/18:1(9Z))+2.818267
PI 16:0/18:1(9Z)
ME650978
-
-
2.818267
-
GPIns(17:0/14:1(9Z))
PI 17:0/14:1(9Z)
ME650979
-
-
1.075794
-
Granisetronmetabolite1
-
ME650980
-
-
1.215792
-
GRAYANOTOXINI
Grayanotoxin I
ME650981
14060930
-
1.1808954
-
IleAla
Ile-Ala
ME650994
-
-
7.660703
-
isoamylnitrite
-
ME650998
-
-
1.780159
-
isoamylnitrite+1.4061962
-
ME650999
-
-
1.4061962
-
isoamylnitrite+6.4072356
-
ME651000
-
-
6.4072356
-
Isobutylglycine
N-Isobutylglycine
ME651001
-
-
5.433171
-
Isobutyrylglycinemethylester
-
ME651002
-
-
2.0881338
-
L-4-Hydroxy-3-methoxy-a-methylphenylalanine
-
ME651010
-
-
2.0608318
-
L-Alaninen-butylester
Arabinonic acid
ME651011
-
-
7.19878
-
LeuThr
Leu-Thr
ME651018
-
-
1.1866603
-
LEVULINICACID,3-BENZYLIDENYL-
-
ME651019
-
-
1.0380838
-
L-Glutamicaciddibutylester
-
ME651020
-
-
6.3878565
-
L-Glutamicacidn-butylester
-
ME651021
-
-
7.1964226
-
Linoleamide
Linoleamide
ME651023
6435901
-
1.1948909
-
LUPANYLACID
-
ME651024
-
-
2.0405357
-
LysAsnPro
Lys-Asn-Pro
ME651025
-
-
5.989488
-
LysLeuSer
Lys-Leu-Ser
ME651026
-
-
0.9916671
-
LysTrpPro
Lys-Trp-Pro
ME651027
-
-
1.7056735
-
MeadAcid-EA
Mead acid-EA
ME651029
16061185
-
1.1878605
-
Meradimate
-
ME651031
-
-
2.1065245
-
Meradimate+2.886999
-
ME651032
-
-
2.886999
-
MetAlaHis
Met-Ala-His
ME651033
-
-
2.322311
-
MetAlaHis+2.5042598
Met-Ala-His
ME651034
-
-
2.5042598
-
MetHisLys
Met-His-Lys
ME651037
-
-
1.0853088
-
METHOXYVONE
Methoxyvone
ME651038
4119
-
2.172449
-
Methylo-methoxyhippuricacid
-
ME651041
-
-
2.8158314
-
monodesmethylchlorpheniramine
-
ME651042
-
-
1.1080842
-
monodesmethylchlorpheniramine+1.789466
-
ME651043
-
-
1.789466
-
MYCOPHENOLICACID
Mycophenolic acid
ME651044
49849463
-
1.360756
-
Myristaldehyde
Myristaldehyde
ME651048
31291
-
4.017241
-
N-(1,1-dimethyl-2-hydroxy-ethyl)arachidonoylamine
-
ME651049
5283404
-
1.1511046
-
N1,N4-Diacetylsulfanilamide
-
ME651053
-
-
1.088276
-
N2,N2-Dimethylguanosine
N2,N2-Dimethylguanosine
ME651055
92919
-
3.4171789
-
N-Acetyl-p-benzoquinonimine
-
ME651056
-
-
1.7037836
-
N-Didesethylquinagolidesulfate
-
ME651058
-
-
4.0437055
-
N-gamma-Acetyl-N-2-formyl-5-methoxykynurenamine
-
ME651062
-
-
5.1963625
-
N-HISTIDYL-2-AMINONAPHTHALENE(betaNA)
-
ME651064
-
-
1.091744
-
N-Methyl-2-pyridone-5-carboxamide(Nudifloramide)
-
ME651068
-
-
1.9226354
-
N-Methyl-2-pyridone-5-carboxamide(Nudifloramide)+1...
-
ME651069
-
-
1.9801685
-
n-methylnicotinamide
N-Methylnicotinamide
ME651070
64950
-
6.033447
-
N,N-Didemethylchlorpromazine
-
ME651050
-
-
2.929534
-
Norpropoxyphene
Norpropoxyphene
ME651071
18804
-
5.6284795
-
Norpropoxyphene+5.748672
Norpropoxyphene
ME651072
18804
-
5.748672
-
N-propyl-16,16-dimethyl-5Z,8Z,11Z,14Z-docosatetrae...
-
ME651073
5283428
-
1.2009101
-
NYLIDRIN
NYLIDRIN
ME651074
13320
-
2.1449049
-
PGE2alphadimethylamine
PGE2alpha dimethyl amine
ME651082
5283101
-
1.169801
-
Pinacidil+1.399643
Pindac
ME651091
-
-
1.399643
-
Pinacidil-N-Oxide
-
ME651092
-
-
7.3631744
-
Poloxalene
-
ME651093
24751
-
1.289573
-
ProHis
Pro-His
ME651095
-
-
5.8476796
-
ProPro
Pro-Pro
ME651100
-
-
2.1635835
-
ProVal
Pro-Val
ME651101
-
-
2.8638191
-
PTERIN-6-CARBOXYLICACID
Pterin-6-carboxylic acid
ME651103
70361
-
2.320782
-
Pyrazinoicacid
Pyrazine-2-carboxylic ccid
ME651104
57429767
-
2.180702
-
QUERCETINTETRAMETHYL(5,7,3',4')ETHER
-
ME651111
-
-
2.0440757
-
resorcinolsulfoxide
-
ME651115
-
-
2.3868895
-
Ribothymidine
Ribothymidine
ME651116
445408
-
1.5422549
-
RO40-5966(MethylmibefradilMetabolite)
-
ME651117
-
-
1.1083223
-
Secobarbital
Secobarbital
ME651121
14148199
-
1.0997653
-
SerArgSer
Ser-Arg-Ser
ME651122
-
-
2.0653992
-
SerTrpArg
Ser-Trp-Arg
ME651123
-
-
1.1766553
-
sn-1,2-Dioctanoylglycerol
DG 8:0_8:0
ME651125
148879
-
1.1091987
-
Sulfaquinoxaline
Sulfaquinoxaline
ME651128
5338
-
2.3641233
-
Sulfaquinoxaline+2.4875205
Sulfaquinoxaline
ME651129
5338
-
2.4875205
-
Sulfaquinoxaline+2.8356538
Sulfaquinoxaline
ME651130
5338
-
2.8356538
-
Sulisobenzone
Sulisobenzone
ME651131
19988
-
3.3184824
-
Tetrahydrofuran
Tetrahydrofuran
ME651133
8028
-
1.2088027
-
TG(17:2(9Z,12Z)/18:0/22:3(10Z,13Z,16Z))[iso6]
TG 17:2(9Z,12Z)/18:0/22:3(10Z,13Z,16Z)*
ME651134
9544800
-
5.4887276
-
Triparanol
Triparanol
ME651142
-
-
6.746489
-
TROMETHAMINE
2-Amino-2-methylol-propane-1,3-diol
ME651144
-
-
5.8385367
-
Tuberonicacid
Tuberonic acid
ME651145
6443968
-
6.634366
-
TyrPro
Tyr-Pro
ME651147
-
-
1.2291903
-
TyrTyrThr
Tyr-Tyr-Thr
ME651148
-
-
1.1997707
-
URETHANE
Ethyl carbamate
ME651153
-
-
2.540771
-
URETHANE+4.806315
Ethyl carbamate
ME651154
-
-
4.806315
-
URSINICACID
-
ME651159
-
-
5.5670667
-
VALERYLSALYCILATE
-
ME651160
-
-
1.0469706
-
Analysis: MS negative ion mode/C18
Select
Metabolite Name
RefMet Name/Standardized Name*
WorkBenchMetabolite_ID
PubChemCompound_ID
Kegg Id
Retentiontime/index
m/z ratio
Pyruvicacid
Pyruvic acid
ME651393
1060
C00022
0.9135752
-
Pyruvicacid-1.0026177
Pyruvic acid
ME651394
1060
C00022
1.0026177
-
Pyruvicacid-1.127027
Pyruvic acid
ME651395
1060
C00022
1.127027
-
Pyruvicacid-1.2604657
Pyruvic acid
ME651396
1060
C00022
1.2604657
-
Pyruvicacid-3.0151846
Pyruvic acid
ME651397
1060
C00022
3.0151846
-
Oxalaceticacid
Oxaloacetic acid
ME651366
970
C00036
1.2575881
-
Glycine
Glycine
ME651312
750
C00037
0.88083494
-
Glyoxylicacid
Glyoxylic acid
ME651315
760
C00048
1.287768
-
Arginine
Arginine
ME651236
6322
C00062
0.8697559
-
L-Serine
Serine
ME651344
5951
C00065
0.8481725
-
Tryptophan
Tryptophan
ME651415
6305
C00078
3.6893237
-
Pyrocatechol
Pyrocatechol
ME651387
289
C00090
0.93939626
-
cysteine
Cysteine
ME651271
594
C00097
1.010082
-
beta-Alanine
beta-Alanine
ME651248
239
C00099
0.87303925
-
beta-Alanine-0.95868075
beta-Alanine
ME651249
239
C00099
0.95868075
-
beta-Alanine-2.1040177
beta-Alanine
ME651250
239
C00099
2.1040177
-
D-Biotin
Biotin
ME651275
171548
C00120
4.5067873
-
Leucine
Leucine
ME651340
6106
C00123
2.3009212
-
Histidine
Histidine
ME651321
6274
C00135
0.8457898
-
(R)-3-Methyl-2-oxobutanoate
Ketoisovaleric acid
ME651168
49
C00141
3.76955
-
Phenol
Phenol
ME651374
996
C00146
5.467516
-
Phenol-3.8949444
Phenol
ME651375
996
C00146
3.8949444
-
Glycolicacid
Glycolic acid
ME651314
757
C00160
0.91225773
-
Acetoaceticacid
Acetoacetic acid
ME651221
96
C00164
0.90567994
-
Acetoaceticacid-1.2563984
Acetoacetic acid
ME651222
96
C00164
1.2563984
-
Dihydroxyacetone(glycerone)
Dihydroxyacetone
ME651286
670
C00184
0.9065244
-
Dihydroxyacetone(glycerone)-1.2817216
Dihydroxyacetone
ME651287
670
C00184
1.2817216
-
Dihydroxyacetone(glycerone)-1.3654007
Dihydroxyacetone
ME651288
670
C00184
1.3654007
-
Dihydroxyacetone(glycerone)-1.4241207
Dihydroxyacetone
ME651289
670
C00184
1.4241207
-
Ceramide(d18:1/26:1(17Z))
Cer 18:1;O2/26:1(17Z)
ME651259
5283569
C00195
0.8280088
-
Glutamicacidg-semialdehyde
D-Glutamic acid
ME651308
23327
C00217
2.1056035
-
b-Glucose
Glucose
ME651254
64689
C00221
3.7114253
-
Taurine
Taurine
ME651408
1123
C00245
0.85459006
-
Lipoamide
Lipoamide
ME651342
863
C00248
0.9329215
-
Lipoamide-0.91015834
Lipoamide
ME651343
863
C00248
0.91015834
-
Glycericacid
Glyceric acid
ME651311
439194
C00258
0.95553625
-
Glycolaldehyde
Glycolaldehyde
ME651313
756
C00266
0.9064576
-
Quinicacid
Quinic acid
ME651398
6508
C00296
0.94010806
-
Creatine
Creatine
ME651269
586
C00300
0.95314735
-
Deoxyuridinemonophosphate(dUMP)
dUMP
ME651279
65063
C00365
1.2872012
-
Uricacid
Uric acid
ME651416
1175
C00366
1.278422
-
Mannitol
Mannitol
ME651347
6251
C00392
0.90266836
-
Lactaldehyde
Lactaldehyde
ME651334
439231
C00424
0.9176882
-
Lactaldehyde-2.5392027
Lactaldehyde
ME651335
439231
C00424
2.5392027
-
Dehydroascorbicacid
Dehydroascorbic acid
ME651276
210328
C00425
1.258288
-
L-arabitol
L-Arabitol
ME651336
439255
C00532
0.9124576
-
Methylglyoxal
Pyruvaldehyde
ME651352
880
C00546
0.9030685
-
Methylglyoxal-1.0395479
Pyruvaldehyde
ME651353
880
C00546
1.0395479
-
Methylglyoxal-1.2867774
Pyruvaldehyde
ME651354
880
C00546
1.2867774
-
Diacetyl
Diacetyl
ME651281
650
C00741
0.8991928
-
Diacetyl-1.0001581
Diacetyl
ME651282
650
C00741
1.0001581
-
Diacetyl-1.2288649
Diacetyl
ME651283
650
C00741
1.2288649
-
Creatinine
Creatinine
ME651270
588
C00791
0.9702255
-
Gulonicacid
Gulonic acid
ME651319
152304
C00800
0.88693184
-
Acetoin
Acetoin
ME651223
179
C00810
3.235284
-
Acetoin-3.5720763
Acetoin
ME651224
179
C00810
3.5720763
-
Phenylsulfate
Phenyl hydrogen sulfate
ME651376
74426
C00850
0.78923315
-
Phenylsulfate-3.894887
Phenyl hydrogen sulfate
ME651377
74426
C00850
3.894887
-
Chlorogenicacid
Chlorogenic acid
ME651262
1794427
C00852
0.9023574
-
PantothenicAcid
Pantothenic acid
ME651371
988
C00864
3.430017
-
2-Keto-glutaramicacid
2-Keto-glutaramic acid
ME651194
48
C00940
1.0136552
-
3-Dehydroquinicacid
3-Dehydroquinate
ME651202
439351
C00944
1.6696038
-
L-2-Aminoadipicacid
Aminoadipic acid
ME651333
469
C00956
1.6109911
-
6-Hydroxynicotinicacid
6-Hydroxynicotinic acid
ME651215
72924
C01020
6.1899753
-
beta-hydroxybutyrate
3-Hydroxybutyric acid
ME651253
441
C01089
3.4044995
-
S-Succinyldihydrolipoamide
S(8)-Succinyldihydrolipoamide
ME651404
11953795
C01169
0.9653422
-
1-Aminocyclopropane-1-carboxylicacid
1-Aminocyclopropanecarboxylic acid
ME651174
535
C01234
1.0108675
-
3-(Imidazol-4-yl)-2-oxopropylphosphate
Imidazole acetol-phosphate
ME651200
792
C01267
1.9228262
-
2-Furoicacid
2-Furoic acid
ME651186
6919
C01546
1.2533321
-
2-Furoicacid-1.0400704
2-Furoic acid
ME651187
6919
C01546
1.0400704
-
2-Furoicacid-1.418544
2-Furoic acid
ME651188
6919
C01546
1.418544
-
Threonate
Threonic acid
ME651412
5460407
C01620
1.5281596
-
Cilastatin
Cilastatin
ME651263
6435415
C01675
3.2344387
-
Ribonicacid
Ribonic acid
ME651399
5460677
C01685
0.8878459
-
Ribonicacid-3.0933578
Ribonic acid
ME651400
5460677
C01685
3.0933578
-
Deoxyribose
Deoxyribose
ME651277
9828112
C01801
1.2875857
-
Deoxyribose-2.4220703
Deoxyribose
ME651278
9828112
C01801
2.4220703
-
Pyroglutamicacid
Pyroglutamic acid
ME651390
7405
C01879
1.2950168
-
Pyroglutamicacid-1.3865262
Pyroglutamic acid
ME651391
7405
C01879
1.3865262
-
Pyroglutamicacid-1.5248408
Pyroglutamic acid
ME651392
7405
C01879
1.5248408
-
Biotinamide
Biotin amide
ME651255
83831
C01893
2.3030474
-
Pseudouridine
Pseudouridine
ME651385
15047
C02067
1.2329652
-
Sedoheptulose
Glucoheptulose
ME651402
102926
C02076
0.9894184
-
glyceraldehyde
Glyceraldehyde
ME651310
751
C02154
0.6594308
-
ISOPIMPINELLIN
Isopimpinellin
ME651331
68079
C02162
0.9402722
-
Glutaconicacid
Glutaconic acid
ME651303
5280498
C02214
0.8959234
-
Glutaconicacid-1.257499
Glutaconic acid
ME651304
5280498
C02214
1.257499
-
Glutaconicacid-1.6951267
Glutaconic acid
ME651305
5280498
C02214
1.6951267
-
Glutaconicacid-1.7573386
Glutaconic acid
ME651306
5280498
C02214
1.7573386
-
Citraconicacid
Citraconic acid
ME651267
643798
C02226
1.0285413
-
2,4-DINITROPHENOL
2,4-Dinitrophenol
ME651182
7321
C02496
6.6743946
-
Lauricacid
Lauric acid
ME651339
3893
C02679
11.852597
-
Dihydromyricetin
Dihydromyricetin
ME651285
12306070
C02906
1.249543
-
N-Acetyl-L-Histidine
N-Acetylhistidine
ME651360
75619
C02997
1.0464991
-
(S)-2-Hydroxyglutarate
2-Hydroxyglutaric acid
ME651169
439939
C03196
1.8771077
-
1-Hydroxy-2-naphthoicacid
1-Hydroxy-2-naphthoate
ME651175
6844
C03203
1.3266282
-
1-Hydroxy-2-naphthoicacid-1.3924078
1-Hydroxy-2-naphthoate
ME651176
6844
C03203
1.3924078
-
1-Hydroxy-2-naphthoicacid-1.5557164
1-Hydroxy-2-naphthoate
ME651177
6844
C03203
1.5557164
-
1-Hydroxy-2-naphthoicacid-2.9663975
1-Hydroxy-2-naphthoate
ME651178
6844
C03203
2.9663975
-
1-Hydroxy-2-naphthoicacid-3.249221
1-Hydroxy-2-naphthoate
ME651179
6844
C03203
3.249221
-
3-Amino-3-(4-hydroxyphenyl)propanoate
beta-Tyrosine
ME651201
440311
C04368
1.7681946
-
DICHLORODIPHENYLTRICHLOROETHANE
Clofenotane
ME651284
3036
C04623
0.80124146
-
2-Hydroxyethanesulfonate
2-Hydroxyethanesulfonate
ME651191
7866
C05123
0.8857794
-
Oxaloglutarate
2-Oxaloglutaric acid
ME651367
440718
C05533
0.88505715
-
PenicillinG
Penicillin G
ME651373
5904
C05551
1.924534
-
p-HYDROXYCINNAMALDEHYDE
(E)-3-(4-Hydroxyphenyl)-2-propenal
ME651379
641301
C05608
3.2352722
-
Imidazolone
Imidazolone
ME651323
504
C06195
1.6141852
-
Acetazolamide
Acetazolamide
ME651220
1986
C06805
0.8871066
-
Atovaquone
Atovaquone
ME651241
74989
C06835
0.9138949
-
Chloralhydrate
Chloral hydrate
ME651261
2707
C06899
0.83854544
-
Melphalan
Melphalan
ME651348
6918991
C07122
0.9143032
-
Zalcitabine
Zalcitabine
ME651417
24066
C07207
1.0909392
-
Procarbazine
Procarbazine
ME651380
4915
C07402
8.976376
-
Fenofibrate
Fenofibrate
ME651299
3339
C07586
2.994328
-
Oxipurinol
Oxypurinol
ME651368
4644
C07599
1.6560007
-
Oxipurinol-1.6297603
Oxypurinol
ME651369
4644
C07599
1.6297603
-
Metyrosine
Metyrosine
ME651356
441350
C07921
9.608946
-
Erythromycin
Erythromycin
ME651297
12560
C08031
0.8438616
-
ISOLIQUIRITIGENIN
Isoliquiritigenin
ME651330
638278
C08650
3.2369618
-
OSTHOL
Osthole
ME651365
10228
C09280
3.785165
-
PURPUROGALLIN
Purpurogallin
ME651386
5281571
C09964
0.95582163
-
Embelin
Embelin
ME651292
3218
C10342
8.976146
-
Embelin-10.833458
Embelin
ME651293
3218
C10342
10.833458
-
Embelin-14.146105
Embelin
ME651294
3218
C10342
14.146105
-
Embelin-9.5837
Embelin
ME651295
3218
C10342
9.5837
-
,4-Dihydroxyphenylpropionicacid
Dihydroxyphenylpropionic acid
ME651170
192095
C10447
3.7348475
-
Ellagicacid
Ellagic acid
ME651291
5281855
C10788
3.0460138
-
2-Pyrrolidinone
2-Pyrrolidinone
ME651198
12025
C11118
1.1036961
-
Iridotrialglucoside
Iridotrial glucoside
ME651324
443335
C11653
5.72602
-
Glutaral(Glutaraldehyde)
Glutaral
ME651309
3485
C12518
3.8285978
-
clavuloneI
Clavulone I
ME651268
5282264
C13810
10.676037
-
N-Acetylgalactosamine4-sulphate
N-Acetylglucosamine
ME651359
446101
C16265
0.9259811
-
Succinicanhydride
Succinic anhydride
ME651405
7922
C19524
0.9230907
-
Succinicanhydride-1.0287684
Succinic anhydride
ME651406
7922
C19524
1.0287684
-
N-Acetyl-a-neuraminicacid
N-Acetylneuraminic acid
ME651358
444885
C19909
0.9110247
-
1-(6-[5]-ladderane-hexanoyl)-2-(8-[3]-ladderane-oc...
-
ME651171
24779538
-
0.85106486
-
1-(8-[3]-ladderane-octanoyl-2-(8-[3]-ladderane-oct...
-
ME651172
24778515
-
0.85814697
-
1alpha,25-dihydroxy-11alpha-phenylvitaminD3/1alpha...
-
ME651173
9547632
-
14.144862
-
2,3-Dichloro-4-(a-hydroxy-2-thenyl)phenoxyaceticac...
-
ME651180
-
-
0.82679945
-
2,3-Dioxogulonicacid
-
ME651181
-
-
1.2578104
-
2,5-Dimethoxycinnamicacid
2,5-Dimethoxycinnamic acid
ME651183
697594
-
0.90194654
-
2-Amino-3-hydroxy-5-nitrobenzophenone
-
ME651184
-
-
0.9208963
-
2-amino-4'-hydroxy-Propiophenone
-
ME651185
-
-
3.2346947
-
2H-1-Benzopyran-6-aceticacid,7-hydroxy-8-methoxy-2...
-
ME651189
-
-
0.944337
-
2H-Indol-2-one,4-[2-(dipropylamino)ethyl]-1,3-dihy...
-
ME651190
-
-
11.223877
-
2-Hydroxyethinylestradiol
2-Hydroxyethinylestradiol
ME651192
-
-
10.128798
-
2-Hydroxyethinylestradiol-10.332443
2-Hydroxyethinylestradiol
ME651193
-
-
10.332443
-
2-Methyl-3-ketovalericacid
2-Methyl-3-ketovaleric acid
ME651195
189028
-
3.7412422
-
2-Methyl-3-ketovalericacid-3.9406526
2-Methyl-3-ketovaleric acid
ME651196
189028
-
3.9406526
-
2-propyl-tridecanoicacid
2-Propyl-tridecanoic acid
ME651197
-
-
14.144142
-
3-(a-Naphthoxy)lacticacid
-
ME651199
-
-
1.2951748
-
3-Deoxy-D-glycero-D-galacto-2-nonulosonicacid
3-Deoxy-D-glycero-D-galacto-2-nonulosonic acid
ME651203
10869261
-
2.9536462
-
3-Methylpimelicacid
3-Methylpimelic acid
ME651204
21510350
-
5.046156
-
3-Methylsubericacid
3-Methylsuberic acid
ME651205
12346696
-
5.7627726
-
4,4-Bis(p-fluorophenyl)butyricacid
-
ME651206
-
-
0.9878153
-
4,8-dimethyl-dodecanoicacid
4,8-Dimethyl-dodecanoic acid
ME651207
-
-
13.080509
-
4-Amino-7-chloroquinoline
4-Amino-7-chloroquinoline
ME651208
94711
-
3.0833776
-
4-Hydroxytacrine
-
ME651209
-
-
4.8963957
-
4-Methylumbelliferylbeta-D-glucuronide
-
ME651210
-
-
0.899474
-
5-[2-(hydroxymethyl)-5-methylphenoxy]-2,2-dimethyl...
-
ME651212
-
-
9.645396
-
5,6-Dihydrouridine
5,6-Dihydrouridine
ME651211
94312
-
1.2630919
-
6,7-DICHLORO-3-HYDROXY-2-QUINOXALINECARBOXYLICACID
6,7-Dichloro-3-hydroxy-2-quinoxalinecarboxylicacid
ME651213
3018579
-
0.7754543
-
6b,11b,16a,17a,21-Pentahydroxypregna-1,4-diene-3,2...
-
ME651214
-
-
10.138177
-
6-Methoxy-2-naphthylaceticacid
6-Methoxy-2-naphthylaceticacid
ME651216
10398394
-
3.2802277
-
7-hydroxy-10E,16-heptadecadien-8-ynoicacid
-
ME651217
5312811
-
11.999046
-
8-hydroxymianseringlucuronide
-
ME651218
-
-
3.2341685
-
9(S)-HODE-d4
9S-HODE
ME651219
53394393
-
12.079377
-
Acetylaminodantrolene
-
ME651225
-
-
0.9123739
-
Acipimox
Acipimox
ME651226
39880
-
1.2332973
-
a-hydroxybutyrate
2-Hydroxybutyric acid
ME651227
-
-
2.6810246
-
a-hydroxyisovalerate
2-Hydroxy-3-methylbutyric acid
ME651228
-
-
3.247896
-
a-hydroxyisovalerate-3.5743096
2-Hydroxy-3-methylbutyric acid
ME651229
-
-
3.5743096
-
AlaPheArg
Ala-Phe-Arg
ME651230
-
-
14.143961
-
alpha-hydroxyisobutyrate
2-Hydroxyisobutyric acid
ME651231
11671
-
2.2812312
-
alpha-hydroxyisobutyrate-1.2596271
2-Hydroxyisobutyric acid
ME651232
11671
-
1.2596271
-
alpha-hydroxyisobutyrate-2.5388858
2-Hydroxyisobutyric acid
ME651233
11671
-
2.5388858
-
altretamine
Altretamine
ME651234
2123
-
8.053266
-
ANABASAMINE
Anabasamine
ME651235
161313
-
13.078866
-
AsnGlnGln
Asn-Gln-Gln
ME651237
-
-
5.6766734
-
AspAsp
Asp-Asp
ME651238
-
-
0.9521884
-
AspAsp-0.9946096
Asp-Asp
ME651239
-
-
0.9946096
-
AspGlu
Asp-Glu
ME651240
-
-
1.0007945
-
BENZANTHRONE
-
ME651242
-
-
2.5236125
-
BENZANTHRONE-2.6784797
-
ME651243
-
-
2.6784797
-
BENZANTHRONE-3.2888675
-
ME651244
-
-
3.2888675
-
BENZANTHRONE-3.462548
-
ME651245
-
-
3.462548
-
BENZANTHRONE-3.5734656
-
ME651246
-
-
3.5734656
-
BENZANTHRONE-3.7885036
-
ME651247
-
-
3.7885036
-
beta-D-Glucopyranosiduronicacid,2-(1H-indol-4-ylox...
-
ME651251
-
-
10.1643095
-
beta-D-Glucopyranosiduronicacid,2-(1H-indol-4-ylox...
-
ME651252
-
-
10.241287
-
Bromopyruvicacid
Bromopyruvicacid
ME651256
70684
-
0.8256496
-
B-ureidoisobutyricacid
-
ME651257
-
-
0.8730234
-
Cer(d18:0/18:0)
Cer 18:0;O2/18:0
ME651258
5283573
-
0.8430583
-
CerP(d18:1/22:0)
CerP 18:1;O2/22:0
ME651260
5283585
-
0.8424859
-
cis-3-(6-Hydroxy-7-methoxy-5-benzofuranyl)acrylica...
-
ME651264
-
-
0.9441556
-
cis-3-(6-Hydroxy-7-methoxy-5-benzofuranyl)acrylica...
-
ME651265
-
-
0.9427811
-
cis-3-(6-Hydroxy-7-methoxy-5-benzofuranyl)acrylica...
-
ME651266
-
-
1.3130308
-
D1-2-Hydroxymethylethisterone
-
ME651272
-
-
11.180433
-
D1-2-Hydroxymethylethisterone-11.336955
-
ME651273
-
-
11.336955
-
D1-2-Hydroxymethylethisterone-11.481426
-
ME651274
-
-
11.481426
-
D-Homoserine
D-Homoserine
ME651280
2724170
-
0.8892795
-
Diphenylmethylphosphineoxide
-
ME651290
-
-
2.6367266
-
EPIAFZELECHIN(2R,3R)(-)
-
ME651296
-
-
2.684248
-
ethylmalonicacid
Ethylmalonic acid
ME651298
11756
-
3.2349224
-
Fenoterolsulfate
-
ME651300
-
-
3.263487
-
Furan2,5-dicarboxylicacid
2,5-Furandicarboxylic acid
ME651301
-
-
1.2569518
-
Glucoheptonicacid
Glucoheptonic acid
ME651302
25588
-
0.87667054
-
Glutamate
Glutamic acid
ME651307
611
-
1.1013618
-
GlyTyrAsn
Gly-Tyr-Asn
ME651316
-
-
3.2345335
-
GPEtn(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:6(4Z,7Z,10Z,1...
PE 22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)*
ME651317
-
-
0.83878565
-
GPSer(18:1(9Z)/18:2(9Z,12Z))[U]
PS 18:1(9Z)/18:2(9Z,12Z)*
ME651318
-
-
0.84036833
-
Gummiferol
Gummiferol
ME651320
5283268
-
0.9559947
-
Hydroxythiopental
-
ME651322
-
-
3.785905
-
Isoacitretin
Isoacitretin
ME651325
6437841
-
10.7497225
-
Isoacitretin-10.681391
Isoacitretin
ME651326
6437841
-
10.681391
-
Isoacitretin-10.914413
Isoacitretin
ME651327
6437841
-
10.914413
-
isoamylnitrite
-
ME651328
-
-
1.1902198
-
ISOEUGENITOL
Isoeugenitol
ME651329
5318562
-
0.9333222
-
KOBUSONE
Kobusone
ME651332
3440569
-
8.976301
-
L-Asparticacidb-semialdehyde
-
ME651337
-
-
1.1086082
-
L-Asparticacidb-semialdehyde-1.218115
-
ME651338
-
-
1.218115
-
L-gamma-Cyano-gamma-aminobutyricacid
-
ME651341
-
-
0.87484986
-
LysTrpArg
Lys-Trp-Arg
ME651345
-
-
12.673539
-
LysTrpArg-12.785133
Lys-Trp-Arg
ME651346
-
-
12.785133
-
MetGluLys
Met-Glu-Lys
ME651349
-
-
8.976513
-
MethoxsalenMetabolite
-
ME651350
-
-
0.94245815
-
methyl8-[2-(2-formyl-vinyl)-3-hydroxy-5-oxo-cyclop...
-
ME651351
5282975
-
10.302589
-
MetLysSer
Met-Lys-Ser
ME651355
-
-
3.234017
-
m-Salicylicacid
3-Hydroxybenzoic acid
ME651357
-
-
5.4672117
-
N-Didesethylquinagolide
-
ME651361
-
-
6.820385
-
N-gamma-Acetyl-N-2-formyl-5-methoxykynurenamine
-
ME651362
-
-
4.353257
-
N-Lignoceroylsphingosine
Cer 18:1;O2/24:0
ME651363
5283571
-
0.8393615
-
ORTHOTHYMOTINICACID
-
ME651364
-
-
8.317977
-
OXOLINICACID
Oxolinicacid
ME651370
18972857
-
0.9334516
-
Parahydroxyphenylaceticacid
-
ME651372
-
-
6.0733533
-
Phosphatidylglycerol
sn-Glycero-3-phosphoglycerol
ME651378
45109789
-
0.93074894
-
ProHisTrp
Pro-His-Trp
ME651381
-
-
10.892685
-
ProLysPro
Pro-Lys-Pro
ME651382
-
-
13.082525
-
Propionylglycinemethylester
-
ME651383
-
-
2.947685
-
PROTOVERATRINEA
Protoveratrine A
ME651384
-
-
0.8581977
-
Pyrocatecholsulfate
Catechol sulfate
ME651388
3083879
-
3.6087193
-
PYROGALLIN
1,2,3-Trihydroxybenzene
ME651389
-
-
0.95584124
-
Ribulose
L-Ribulose
ME651401
644111
-
0.977396
-
SM(d18:0/16:0)
SM 18:0;O2/16:0
ME651403
9939965
-
0.8410748
-
TacrolimusmetaboliteM-IV
-
ME651407
-
-
0.84234
-
Tetrahydrofuran
Tetrahydrofuran
ME651409
8028
-
3.785659
-
threo-Isocitricacid
-
ME651410
-
-
2.9514449
-
threo-Isocitricacid-1.0347548
-
ME651411
-
-
1.0347548
-
TrpProHis
Trp-Pro-His
ME651413
-
-
10.67983
-
TrpProHis-10.745563
Trp-Pro-His
ME651414
-
-
10.745563
-
Analysis: MS negative ion mode/HILIC
Select
Metabolite Name
RefMet Name/Standardized Name*
WorkBenchMetabolite_ID
PubChemCompound_ID
Kegg Id
Retentiontime/index
m/z ratio
Pyrophosphate
Pyrophosphate
ME651696
644102
C00013
4.0237513
-
Pyrophosphate-4.160074
Pyrophosphate
ME651697
644102
C00013
4.160074
-
Pyrophosphate-6.828654
Pyrophosphate
ME651698
644102
C00013
6.828654
-
Pyruvicacid
Pyruvic acid
ME651702
1060
C00022
3.1243036
-
Pyruvicacid-2.0019042
Pyruvic acid
ME651703
1060
C00022
2.0019042
-
Pyruvicacid-3.3105016
Pyruvic acid
ME651704
1060
C00022
3.3105016
-
alpha-ketoglutarate
2-Oxoglutaric acid
ME651514
51
C00026
1.1133287
-
D-Glucose
Glucose
ME651554
5793
C00031
2.7896197
-
Glyoxylicacid
Glyoxylic acid
ME651594
760
C00048
2.002702
-
Tryptophan
Tryptophan
ME651727
6305
C00078
5.5356474
-
Phenylalanine
Phenylalanine
ME651678
6140
C00079
5.6374874
-
beta-Alanine
beta-Alanine
ME651522
239
C00099
4.8328185
-
beta-Alanine-6.9398165
beta-Alanine
ME651523
239
C00099
6.9398165
-
dihydroxyacetonephosphate(DHAP)
Dihydroxyacetone phosphate
ME651564
668
C00111
0.8952191
-
Fumaricacid
Fumaric acid
ME651581
444972
C00122
1.005413
-
Leucine
Leucine
ME651631
6106
C00123
5.754187
-
myo-Inositol
Myo-inositol
ME651655
892
C00137
2.4771135
-
myo-Inositol-2.6662457
Myo-inositol
ME651656
892
C00137
2.6662457
-
Glycolate
Glycolic acid
ME651593
757
C00160
1.9717411
-
Acetoaceticacid
Acetoacetic acid
ME651496
96
C00164
1.0933565
-
Acetoaceticacid-2.7565882
Acetoacetic acid
ME651497
96
C00164
2.7565882
-
Valine
Valine
ME651732
6287
C00183
6.013578
-
Dihydroxyacetone(glycerone)
Dihydroxyacetone
ME651563
670
C00184
2.877055
-
Lactate
Lactic acid
ME651624
107689
C00186
1.9735672
-
Lactate-5.6089334
Lactic acid
ME651625
107689
C00186
5.6089334
-
Lactate-5.7357388
Lactic acid
ME651626
107689
C00186
5.7357388
-
Lacticacid
Lactic acid
ME651627
107689
C00186
2.3922086
-
Glutamicacidg-semialdehyde
D-Glutamic acid
ME651590
23327
C00217
4.832273
-
Taurine
Taurine
ME651718
1123
C00245
5.2988653
-
Hypoxanthine
Hypoxanthine
ME651599
790
C00262
2.6533825
-
Inosine
Inosine
ME651609
6021
C00294
2.9033687
-
Oroticacid
Orotic acid
ME651671
967
C00295
2.032024
-
Uridine
Uridine
ME651731
6029
C00299
1.6271311
-
Creatine
Creatine
ME651539
586
C00300
6.9446096
-
L-DOPA
DOPA
ME651629
6047
C00355
1.6013179
-
Uricacid
Uric acid
ME651729
1175
C00366
3.5228999
-
Uricacid-2.925639
Uric acid
ME651730
1175
C00366
2.925639
-
Xanthine
Xanthine
ME651735
1188
C00385
1.9611603
-
Mannitol
Mannitol
ME651642
6251
C00392
3.2882094
-
Isoleucine
Isoleucine
ME651618
6306
C00407
5.8175583
-
Lactaldehyde
Lactaldehyde
ME651622
439231
C00424
1.3952591
-
Lactaldehyde-1.8849502
Lactaldehyde
ME651623
439231
C00424
1.8849502
-
Dehydroascorbicacid
Dehydroascorbic acid
ME651549
210328
C00425
1.6944479
-
Dehydroascorbicacid-1.13851
Dehydroascorbic acid
ME651550
210328
C00425
1.13851
-
Dehydroascorbicacid-2.0140483
Dehydroascorbic acid
ME651551
210328
C00425
2.0140483
-
Dehydroascorbicacid-2.9501877
Dehydroascorbic acid
ME651552
210328
C00425
2.9501877
-
Purine
Purine
ME651688
1044
C00465
0.899664
-
Purine-1.0687234
Purine
ME651689
1044
C00465
1.0687234
-
Purine-1.994147
Purine
ME651690
1044
C00465
1.994147
-
Bilirubin
Bilirubin
ME651524
5280352
C00486
1.0517265
-
Acrylicacid
Acrylic acid
ME651502
6581
C00511
1.9864882
-
Acrylicacid-2.8973038
Acrylic acid
ME651503
6581
C00511
2.8973038
-
Testosteronesulfate
Testosterone sulfate
ME651720
6013
C00535
0.72229254
-
Methylglyoxal
Pyruvaldehyde
ME651647
880
C00546
1.0074468
-
Methylglyoxal-1.3239123
Pyruvaldehyde
ME651648
880
C00546
1.3239123
-
Methylglyoxal-1.6264697
Pyruvaldehyde
ME651649
880
C00546
1.6264697
-
Methylglyoxal-2.3959143
Pyruvaldehyde
ME651650
880
C00546
2.3959143
-
Dihydrolipoamide
Dihydrolipoamide
ME651562
663
C00579
2.050547
-
Diacetyl
Diacetyl
ME651556
650
C00741
1.0126817
-
Diacetyl-1.7367859
Diacetyl
ME651557
650
C00741
1.7367859
-
Diacetyl-1.9789566
Diacetyl
ME651558
650
C00741
1.9789566
-
Diacetyl-2.955511
Diacetyl
ME651559
650
C00741
2.955511
-
Creatinine
Creatinine
ME651540
588
C00791
4.0432477
-
Acetoin
Acetoin
ME651498
179
C00810
1.3222165
-
Acetoin-1.7186093
Acetoin
ME651499
179
C00810
1.7186093
-
Acetoin-1.7995661
Acetoin
ME651500
179
C00810
1.7995661
-
Phenylsulfate
Phenyl hydrogen sulfate
ME651679
74426
C00850
0.76098853
-
PantothenicAcid
Pantothenic acid
ME651674
988
C00864
2.5449166
-
3-Dehydroquinicacid
3-Dehydroquinate
ME651463
439351
C00944
1.2411299
-
Dihydrokaempferol
Aromadendrin
ME651561
662
C00974
3.131618
-
Dihydroxyfumarate
(E)-2,3-Dihydroxybut-2-enedioic acid
ME651565
54678503
C00975
3.1242528
-
6-Hydroxynicotinicacid
6-Hydroxynicotinic acid
ME651486
72924
C01020
1.0607094
-
2-Oxo-4-methylthiobutanoicacid
2-Oxo-4-methylthiobutanoic acid
ME651454
473
C01180
1.2991978
-
2'-Deoxyuridine5'-diphosphate(dUDP)
dUDP
ME651437
145729
C01346
2.357514
-
Naproxen
Naproxen
ME651661
156391
C01517
0.77288413
-
Naproxen-3.0620813
Naproxen
ME651662
156391
C01517
3.0620813
-
Stearicacid
Stearic acid
ME651709
5281
C01530
1.0380771
-
Stearicacid-1.975433
Stearic acid
ME651710
5281
C01530
1.975433
-
Allantoin
Allantoin
ME651511
204
C01551
1.7691755
-
Allantoin-2.1088858
Allantoin
ME651512
204
C01551
2.1088858
-
n-HexanoicAcid
Caproic acid
ME651664
8892
C01585
1.1962534
-
Xanthosine
Xanthosine
ME651736
64959
C01762
1.9819899
-
Crotonicacid
Crotonic acid
ME651541
637090
C01771
2.051878
-
L-Galactose
L-Galactose
ME651633
12003287
C01825
2.3498378
-
pentanamide
Pentanamide
ME651676
53630576
C01842
2.5456746
-
Pyroglutamicacid
Pyroglutamic acid
ME651695
7405
C01879
5.840759
-
Pseudouridine
Pseudouridine
ME651687
15047
C02067
2.1749406
-
Sedoheptulose
Glucoheptulose
ME651706
102926
C02076
2.0357099
-
Sedoheptulose-2.968789
Glucoheptulose
ME651707
102926
C02076
2.968789
-
Glutaconicacid
Glutaconic acid
ME651589
5280498
C02214
3.123567
-
Citraconicacid
Citraconic acid
ME651529
643798
C02226
1.0144638
-
Citraconicacid-1.722686
Citraconic acid
ME651530
643798
C02226
1.722686
-
Citraconicacid-2.040095
Citraconic acid
ME651531
643798
C02226
2.040095
-
3-oxo-dodecanoicacid
3-Oxododecanoic acid
ME651472
439717
C02367
0.90155995
-
2,4-DINITROPHENOL
2,4-Dinitrophenol
ME651432
7321
C02496
0.9820723
-
Dodecanedioicacid
Dodecanedioic acid
ME651568
12736
C02678
1.1223992
-
Lauricacid
Lauric acid
ME651628
3893
C02679
1.9753349
-
Lecanoricacid
Lecanoric acid
ME651630
99613
C02868
2.4412706
-
L-Fucose1-phosphate
Fucose 1-phosphate
ME651632
439871
C02985
2.9064715
-
(+)-Bornane-2,5-dione
Bornane-2,5-dione
ME651419
20218
C03037
0.9330408
-
5-Hydroxymethyluracil
5-Hydroxymethyluracil
ME651483
78168
C03088
2.5081553
-
1-Hydroxy-2-naphthoicacid
1-Hydroxy-2-naphthoate
ME651428
6844
C03203
3.1735768
-
D-Leucicacid
D-Leucic acid
ME651567
439960
C03264
1.3377998
-
3,4,5-Trihydroxystilbene
Resveratrol
ME651459
5281718
C03582
0.7412587
-
1-Methylguanine
1-Methylguanine
ME651429
70315
C04152
3.7579908
-
3-Amino-3-(4-hydroxyphenyl)propanoate
beta-Tyrosine
ME651461
440311
C04368
5.8277006
-
2-Hydroxyethanesulfonate
2-Hydroxyethanesulfonate
ME651442
7866
C05123
2.396228
-
PenicillinG
Penicillin G
ME651675
5904
C05551
1.6195924
-
5-Hydroxyindoleaceticacid
5-Hydroxyindoleacetic acid
ME651481
1826
C05635
3.7631204
-
5-Hydroxyindoleaceticacid-1.9673504
5-Hydroxyindoleacetic acid
ME651482
1826
C05635
1.9673504
-
4-amino-4-cyano-butanoicacid
4-Amino-4-cyano-butanoic acid
ME651474
440769
C05715
2.9633734
-
Pyrrole-2-carboxylicacid
Pyrrole-2-carboxylic acid
ME651699
12473
C05942
1.6290715
-
Pyrrole-2-carboxylicacid-1.9725019
Pyrrole-2-carboxylic acid
ME651700
12473
C05942
1.9725019
-
Pyrrole-2-carboxylicacid-2.172489
Pyrrole-2-carboxylic acid
ME651701
12473
C05942
2.172489
-
Imidazolone
Imidazolone
ME651601
504
C06195
0.66208553
-
Imidazolone-0.8470633
Imidazolone
ME651602
504
C06195
0.8470633
-
Imidazolone-1.0847108
Imidazolone
ME651603
504
C06195
1.0847108
-
Imidazolone-1.1732987
Imidazolone
ME651604
504
C06195
1.1732987
-
Imidazolone-1.9679021
Imidazolone
ME651605
504
C06195
1.9679021
-
Imidazolone-5.591784
Imidazolone
ME651606
504
C06195
5.591784
-
Imidazolone-5.7556376
Imidazolone
ME651607
504
C06195
5.7556376
-
Terephthalicacid
Terephthalic acid
ME651719
7489
C06337
1.0188391
-
Fosfomycin
Fosfomycin
ME651580
446987
C06454
0.8520831
-
Iduronicacid
Iduronic acid
ME651600
18845
C06472
2.2144175
-
Clorazepate
Clorazepate
ME651537
5281076
C06921
2.3884768
-
Gemfibrozil
Gemfibrozil
ME651584
3463
C07020
1.0904541
-
Losartan
Losartan
ME651639
3961
C07072
1.1217136
-
Loratadine
Loratadine
ME651634
3957
C07081
1.9360875
-
Lorazepam
Lorazepam
ME651635
3958
C07082
2.319668
-
Lorazepam-2.4245577
Lorazepam
ME651636
3958
C07082
2.4245577
-
Lorazepam-2.8229904
Lorazepam
ME651637
3958
C07082
2.8229904
-
Lorazepam-2.8873434
Lorazepam
ME651638
3958
C07082
2.8873434
-
Oxazepam
Oxazepam
ME651672
4616
C07359
3.2840278
-
Pyrimethamine
Pyrimethamine
ME651692
4993
C07391
1.9647775
-
Procarbazine
Procarbazine
ME651682
4915
C07402
1.0456582
-
Procarbazine-1.0827432
Procarbazine
ME651683
4915
C07402
1.0827432
-
Pirenzepine
Pirenzepine
ME651681
4848
C07508
0.71526355
-
Tetracaine
Tetracaine
ME651721
15939509
C07526
1.9766109
-
Oxipurinol
Oxypurinol
ME651673
4644
C07599
1.8820106
-
Thioguanine
Thioguanine
ME651722
2723601
C07648
1.0803622
-
SULBACTAM
Sulbactam
ME651715
130313
C07770
1.9464644
-
Alfentanil
Alfentanil
ME651510
57506700
C08005
1.066005
-
CEFTIBUTEN
Ceftibuten
ME651528
5282242
C08117
2.3860288
-
KINETIN
Kinetin
ME651619
3830
C08272
0.78717214
-
Catalpol
Catalpol
ME651527
91520
C09773
2.05658
-
Zearalenone
Zearalenone
ME651738
5281576
C09981
0.7603586
-
GENKWANIN
Genkwanin
ME651585
5281617
C10046
2.9641664
-
Embelin
Embelin
ME651570
3218
C10342
0.6666592
-
Embelin-0.8153355
Embelin
ME651571
3218
C10342
0.8153355
-
Embelin-0.9982194
Embelin
ME651572
3218
C10342
0.9982194
-
Embelin-1.1001831
Embelin
ME651573
3218
C10342
1.1001831
-
Embelin-1.2925849
Embelin
ME651574
3218
C10342
1.2925849
-
Embelin-1.9750104
Embelin
ME651575
3218
C10342
1.9750104
-
LUPININE
Lupinine
ME651640
91461
C10773
1.2002695
-
Ellagicacid
Ellagic acid
ME651569
5281855
C10788
1.9726635
-
7-Ethoxycoumarin
7-Ethoxycoumarin
ME651490
35703
C11052
2.026989
-
2-Methoxy-estradiol-17beta3-glucuronide
2-Methoxy-estradiol-17beta 3-glucuronide
ME651450
443076
C11131
1.916402
-
griseorhodinA
Griseorhodin A
ME651595
5282051
C12048
2.876617
-
Glutaral(Glutaraldehyde)
Glutaral
ME651591
3485
C12518
1.4860872
-
Nicorandil
Nicorandil
ME651665
47528
C13280
3.4741464
-
clavuloneI
Clavulone I
ME651533
5282264
C13810
1.3005357
-
clavuloneIII
Clavulone III
ME651534
5282266
C13813
1.9633796
-
N-Acetylgalactosamine4-sulphate
N-Acetylglucosamine
ME651659
446101
C16265
1.3026136
-
2-Propylglutaricacid
2-Propylglutaric acid
ME651455
134970
C16658
1.307249
-
Succinicanhydride
Succinic anhydride
ME651711
7922
C19524
2.0559673
-
Succinicanhydride-1.1389956
Succinic anhydride
ME651712
7922
C19524
1.1389956
-
Succinicanhydride-1.6393243
Succinic anhydride
ME651713
7922
C19524
1.6393243
-
Succinicanhydride-3.020823
Succinic anhydride
ME651714
7922
C19524
3.020823
-
Sulfaphenazole
Sulfaphenazole
ME651717
5335
D01954
1.0310104
-
ETHOPROPAZINE
Ethopropazine
ME651577
3290
D03276
1.1095041
-
aminohippuricacid
Aminohippuric acid
ME651515
2148
D06890
0.9557961
-
12-oxo-10Z-dodecenoicacid
12-Oxo-10Z-dodecenoic acid
ME651423
5312890
-
1.0445383
-
13-ethyl-2,17-dihydroxy-18,19-Dinorpregna-4,9,11-t...
-
ME651424
-
-
1.0458392
-
1,3-Glyceryldinitrate
1,3-Glyceryldinitrate
ME651422
-
-
2.8386114
-
14-pentadecynoicacid
14-Pentadecynoic acid
ME651425
5312704
-
1.050736
-
1alpha,25-dihydroxy-24-oxovitaminD_3/1alpha,25-dih...
1alpha,25-Dihydroxy-24-oxovitamin D3
ME651426
5283703
-
1.1476624
-
1beta,25-dihydroxy-3-deoxy-3-thiavitaminD3/1beta,2...
-
ME651427
9547301
-
1.0916283
-
20-ethyl-PGE2
20-Ethyl-PGE2
ME651434
16061106
-
1.9770817
-
(22E,24E)-1alpha,25-dihydroxy-22,23,24,24a-tetrade...
-
ME651420
9547461
-
1.0070665
-
(22R)-1alpha,22,25-trihydroxy-23,24-tetradehydro-2...
-
ME651421
9547508
-
1.025911
-
2,3-Dihydroxy-3-methylvalericacid
2,3-Dihydroxy-3-methylvaleric acid
ME651430
-
-
1.7424604
-
2,3-Dioxogulonicacid
-
ME651431
-
-
2.9372354
-
2,5-Dimethoxycinnamicacid
2,5-Dimethoxycinnamic acid
ME651433
697594
-
2.0518987
-
2-Amino-4-chloro-6-methylpyrimidine
2-Amino-4-chloro-6-methylpyrimidine
ME651435
21810
-
1.6516985
-
2-BENZOYL-5-METHOXYBENZOQUINONE
2-Benzoyl-5-methoxybenzoquinone
ME651436
-
-
0.8602795
-
2-Furoylglycine
2-Furoylglycine
ME651438
21863
-
1.0853753
-
2H-1-Benzopyran-6-aceticacid,7-hydroxy-8-methoxy-2...
-
ME651439
-
-
3.1102762
-
2-Heptenedioicacid,4-oxo-
-
ME651440
-
-
1.4616545
-
2-Hydroxy-3-(4-methoxyethylphenoxy)-propanoicacid
-
ME651441
-
-
1.1473696
-
2-Hydroxyethinylestradiol
2-Hydroxyethinylestradiol
ME651443
-
-
0.9661093
-
2-Hydroxyethinylestradiol-1.1476005
2-Hydroxyethinylestradiol
ME651444
-
-
1.1476005
-
2-Hydroxyethinylestradiol-1.305595
2-Hydroxyethinylestradiol
ME651445
-
-
1.305595
-
2-Hydroxyethinylestradiol-1.9728087
2-Hydroxyethinylestradiol
ME651446
-
-
1.9728087
-
2-Hydroxyethinylestradiol-2.0906997
2-Hydroxyethinylestradiol
ME651447
-
-
2.0906997
-
2-Hydroxyethinylestradiol-2.8964827
2-Hydroxyethinylestradiol
ME651448
-
-
2.8964827
-
2-ISOPROPYL-3-METHOXYCINNAMICACID
2-Isopropyl-3-methoxycinnamic acid
ME651449
-
-
1.0553075
-
2-Naphthaleneaceticacid,6-hydroxy-
2-Octenoic acid
ME651451
5282713
-
0.8052818
-
2-Naphthaleneaceticacid,6-hydroxy--3.1083467
2-Octenoic acid
ME651452
5282713
-
3.1083467
-
2-Naphthaleneaceticacid,6-hydroxy--3.220013
2-Octenoic acid
ME651453
5282713
-
3.220013
-
2-propyl-tridecanoicacid
2-Propyl-tridecanoic acid
ME651456
-
-
1.045552
-
2-propyl-tridecanoicacid-1.9754443
2-Propyl-tridecanoic acid
ME651457
-
-
1.9754443
-
3alpha-HYDROXY-3-DEOXYANGOLENSICACIDMETHYLESTER
-
ME651460
-
-
1.0616479
-
3-(a-Naphthoxy)lacticacid
-
ME651458
-
-
0.8485903
-
3D,7D,11D-Phytanicacid
Phytanic acid
ME651462
10380830
-
1.1144173
-
3-DESMETHYL-5-DESHYDROXYSCLEROIN
3-Desmethyl-5-deshydroxyscleroin
ME651464
-
-
0.83472216
-
3-dodecynoicacid
3-Dodecynoic acid
ME651465
5312606
-
1.0513127
-
3E,5E-tridecadienoicacid
3E,5E-Tridecadienoic acid
ME651466
5312396
-
1.1176943
-
3-Furoicacid
3-Furoic acid
ME651467
10268
-
2.015234
-
3-Hydroxy-2-methyl-[R-(R,S)]-butanoicacid
-
ME651468
12313370
-
1.499714
-
3-Hydroxydodecanedioicacid
3-Hydroxy-dodecanedioic acid
ME651469
16663321
-
1.0771362
-
3-Hydroxyphenytoin
-
ME651470
-
-
0.7119138
-
3-Methylsubericacid
3-Methylsuberic acid
ME651471
12346696
-
1.2524943
-
4,8-dimethyl-dodecanoicacid
4,8-Dimethyl-dodecanoic acid
ME651473
-
-
1.9757005
-
4-hydroxypelargonicacid
4-Hydroxypelargonic acid
ME651475
134653
-
1.16755
-
5-[2-(hydroxymethyl)-5-methylphenoxy]-2,2-dimethyl...
-
ME651478
-
-
1.9725273
-
5-(4-hydroxy-2,5-dimethylphenoxy)-2,2-dimethyl-Pen...
-
ME651476
-
-
0.81861633
-
5,6-Dihydrouridine
5,6-Dihydrouridine
ME651477
94312
-
1.7644465
-
5-Acetyl-4-methylthiazole
5-Acetyl-4-methylthiazole
ME651479
162292
-
1.5174325
-
5-Hydroxyindol-2-carboxylicacid
-
ME651480
-
-
3.6248298
-
6b,11b,16a,17a,21-Pentahydroxypregna-1,4-diene-3,2...
-
ME651484
-
-
1.297977
-
6b,11b,16a,17a,21-Pentahydroxypregna-1,4-diene-3,2...
-
ME651485
-
-
1.9632031
-
(+)-6-methylcaprylicacid
6-Methyloctanoic acid
ME651418
10447
-
1.0773249
-
7-Acetamidonitrazepam
7-Acetamidonitrazepam
ME651487
96190
-
2.0313938
-
7-Aminonitrazepam
7-Aminonitrazepam
ME651488
78641
-
1.9488156
-
7E-decen-1-ol
7E-Decen-1-ol
ME651489
5283293
-
1.127305
-
7-Hydroxyoctanoicacid
7-Hydroxyoctanoic acid
ME651491
167627
-
1.1834966
-
7-hydroxyTetranorIloprost
-
ME651492
-
-
1.0873536
-
9-hydroxy-5Z-nonenoicacid
9-Hydroxy-5Z-nonenoic acid
ME651494
5312793
-
1.1193868
-
9-lauroleicacid
9-Dodecenoic acid
ME651495
5282733
-
1.0897377
-
9(S)-HODE-d4
9S-HODE
ME651493
53394393
-
1.073801
-
Acipimox
Acipimox
ME651501
39880
-
2.1746736
-
Adriamycinone
Adriamycinone
ME651504
72401
-
2.0412269
-
a-hydroxybutyrate
2-Hydroxybutyric acid
ME651505
-
-
1.3959937
-
a-hydroxybutyrate-1.537142
2-Hydroxybutyric acid
ME651506
-
-
1.537142
-
a-hydroxyisovalerate
2-Hydroxy-3-methylbutyric acid
ME651507
-
-
1.3313369
-
a-hydroxyisovalerate-2.912282
2-Hydroxy-3-methylbutyric acid
ME651508
-
-
2.912282
-
AlaMetLys
Ala-Met-Lys
ME651509
-
-
1.053729
-
alpha-hydroxyisobutyrate
2-Hydroxyisobutyric acid
ME651513
11671
-
3.114195
-
ArgCysCys
Arg-Cys-Cys
ME651516
-
-
2.0538783
-
AspAsp
Asp-Asp
ME651517
-
-
2.952983
-
AspGlu
Asp-Glu
ME651518
-
-
2.0361547
-
AspThr
Asp-Thr
ME651519
-
-
2.986764
-
Benazeprilat
Benazeprilat
ME651520
5463984
-
1.1814455
-
Benzaldehyde,p-amino-,thiosemicarbazone
-
ME651521
-
-
1.0536183
-
B-ureidoisobutyricacid
-
ME651525
-
-
6.834089
-
Carboxyltolmetin
-
ME651526
-
-
2.1682732
-
CITROPTEN
Citropten
ME651532
2775
-
2.3472679
-
ClonidineMetabolite3
-
ME651535
-
-
1.3962593
-
ClonidineMetabolite3-3.0479238
-
ME651536
-
-
3.0479238
-
COTARNINE
Cotarnine
ME651538
6715
-
1.9682443
-
CysCysTyr
Cys-Cys-Tyr
ME651542
-
-
1.6293103
-
D1-2-Hydroxymethylethisterone
-
ME651543
-
-
0.95063645
-
D1-2-Hydroxymethylethisterone-1.0877049
-
ME651544
-
-
1.0877049
-
D1-2-Hydroxymethylethisterone-1.2925578
-
ME651545
-
-
1.2925578
-
D1-2-Hydroxymethylethisterone-1.9729636
-
ME651546
-
-
1.9729636
-
D1-2-Hydroxymethylethisterone-2.0888731
-
ME651547
-
-
2.0888731
-
D1-2-Hydroxymethylethisterone-2.898744
-
ME651548
-
-
2.898744
-
desmethylnortriptylineglucuronide
-
ME651553
-
-
0.93816584
-
D-Glucoside
-
ME651555
49769056
-
3.0754666
-
DIBENZOTHIOPHENE
Dibenzothiophene
ME651560
3023
-
0.7992347
-
DL-erythronicacid
Erythronic acid
ME651566
-
-
2.9051757
-
Erythrono-1,4-lactone
Erythrono-1,4-lactone
ME651576
5325915
-
1.8767807
-
ethylmalonicacid
Ethylmalonic acid
ME651578
11756
-
1.7097597
-
EUGENITOL
Eugenitol
ME651579
5036604
-
2.846828
-
FUMARPROTOCETRARICACID
Fumarprotocetraric acid
ME651582
5358397
-
2.0578792
-
gamma-Hydroxyphenylbutazoneglucuronide
-
ME651583
-
-
1.1211263
-
GlnTrpGln
Gln-Trp-Gln
ME651586
-
-
1.0848768
-
Glucosylgalactosylhydroxylysine
Glucosylgalactosyl hydroxylysine
ME651587
122304
-
1.9726715
-
GluSer
Glu-Ser
ME651588
-
-
1.9653546
-
GluTyrThr
Glu-Tyr-Thr
ME651592
-
-
0.94710815
-
Gualenate(SodiumGualenate)
-
ME651596
-
-
1.9497862
-
HisCys
His-Cys
ME651597
-
-
1.5454953
-
HisLeuLys
His-Leu-Lys
ME651598
-
-
1.1560371
-
Indoxylsulfuricacid
Indoxyl sulfate
ME651608
10258
-
0.79025036
-
Isoacitretin
Isoacitretin
ME651610
6437841
-
0.95828223
-
Isoacitretin-1.116818
Isoacitretin
ME651611
6437841
-
1.116818
-
Isoacitretin-1.1998972
Isoacitretin
ME651612
6437841
-
1.1998972
-
Isoacitretin-1.3034887
Isoacitretin
ME651613
6437841
-
1.3034887
-
Isoacitretin-1.9727861
Isoacitretin
ME651614
6437841
-
1.9727861
-
Isoacitretin-2.0889266
Isoacitretin
ME651615
6437841
-
2.0889266
-
Isoacitretin-2.8948605
Isoacitretin
ME651616
6437841
-
2.8948605
-
Isobutyrylglycinemethylester
-
ME651617
-
-
3.090561
-
KOBUSONE
Kobusone
ME651620
3440569
-
1.0432583
-
KOBUSONE-1.0965811
Kobusone
ME651621
3440569
-
1.0965811
-
LysPhe
Lys-Phe
ME651641
-
-
1.081086
-
MERBROMIN
-
ME651643
9853537
-
5.486304
-
MethoxsalenMetabolite
-
ME651644
-
-
1.9661772
-
METHYL7-DESHYDROXYPYROGALLIN-4-CARBOXYLATE
-
ME651645
-
-
0.80591536
-
methyl8-[2-(2-formyl-vinyl)-3-hydroxy-5-oxo-cyclop...
-
ME651646
5282975
-
0.8143992
-
MetMetTrp
Met-Met-Trp
ME651651
-
-
1.0966965
-
Mitotane
Mitotane
ME651652
44558533
-
5.6574764
-
Mono-N-depropylprobenecid
-
ME651653
-
-
0.8595257
-
m-Salicylicacid
3-Hydroxybenzoic acid
ME651654
-
-
1.2099776
-
N-Acetyl-5-hydroxysulfapyridine
-
ME651658
-
-
1.6276054
-
Naltrexone-3-glucuronide
-
ME651660
-
-
1.5256375
-
N-gamma-Acetyl-N-2-formyl-5-methoxykynurenamine
-
ME651663
-
-
5.2015524
-
N,N-HEXAMETHYLENEAMILORIDE
-
ME651657
-
-
2.5057244
-
O-BENZYL-l-SERINE
-
ME651666
78457
-
1.0420434
-
O-Desmethylnaproxen
O-Desmethylnaproxen
ME651667
162920
-
0.7869661
-
O-Desmethylnaproxen-1.3967192
O-Desmethylnaproxen
ME651668
162920
-
1.3967192
-
O-Desmethylnaproxen-3.1314578
O-Desmethylnaproxen
ME651669
162920
-
3.1314578
-
O-Desmethylquinidine
O-Desmethylquinidine
ME651670
51196
-
1.9783583
-
PheArgSer
Phe-Arg-Ser
ME651677
-
-
1.1971426
-
Phosphatidylglycerol
sn-Glycero-3-phosphoglycerol
ME651680
45109789
-
2.9618874
-
Propanoicacid,2-hydroxy-3-[(4-hydroxy-1-naphthalen...
-
ME651684
-
-
2.3729064
-
Propionylglycinemethylester
-
ME651685
-
-
2.0585814
-
ProTyrTrp
Pro-Tyr-Trp
ME651686
-
-
1.9180354
-
Pyrazinoicacid
Pyrazine-2-carboxylic ccid
ME651691
57429767
-
0.7691003
-
Pyrocatecholsulfate
Catechol sulfate
ME651693
3083879
-
0.72319967
-
PYROGALLIN
1,2,3-Trihydroxybenzene
ME651694
-
-
1.9702532
-
Ribothymidine
Ribothymidine
ME651705
445408
-
1.5531889
-
SerLysMet
Ser-Lys-Met
ME651708
-
-
5.6376185
-
Sulfadoxinesuflate
-
ME651716
-
-
1.4084955
-
threo-Isocitricacid
-
ME651723
-
-
2.0258613
-
ThrGly
Thr-Gly
ME651724
-
-
1.1795585
-
Triprolidine
Triprolidine
ME651725
5702129
-
1.0831817
-
TrpTyrGlu
Trp-Tyr-Glu
ME651726
-
-
1.4084401
-
TUBAICACID
-
ME651728
-
-
1.9608763
-
Veratricacid
3,4-Dimethoxybenzoic acid
ME651733
7121
-
1.1782635
-
Veratricacid-3.0931485
3,4-Dimethoxybenzoic acid
ME651734
7121
-
3.0931485
-
Zalcitabinemonophosphate
-
ME651737
-
-
2.9366553
-
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