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Return to study ST001324 main page
Analysis: HILIC POSITIVE ION MODE
Select
Metabolite Name
RefMet Name/Standardized Name*
WorkBenchMetabolite_ID
PubChemCompound_ID
Kegg Id
Retentiontime/index
m/z ratio
10-Hydroxycamtothecin
-
ME308713
-
-
238.2525
365.1149219
1,2,3-Benzenetriol
1,2,3-Trihydroxybenzene
ME308506
-
-
391.3825
275.0512727
1,2-dioleoyl-sn-glycero-3-phosphatidylcholine
PC 18:1/18:1
ME308828
-
-
155.501
824.5758669
12-oxo-ETE
12-Oxo-ETE
ME308616
-
C14807
135.426
319.2251494
15-Deoxy-delta-12,14-PGJ2
15-Deoxy-delta-12,14-PGJ2
ME308612
5311211
C14717
136.2215
317.209446
16-Hydroxypalmitic acid
Juniperic acid
ME308573
7058075
C18218
47.529
295.2246886
1,7-Dimethyluric acid
1,7-Dimethyluric acid
ME308463
91611
C16356
150.497
260.0724988
1-Aminocyclohexanecarboxylic acid
1-Azaniumylcyclohexane-1-carboxylate
ME308209
-
-
328.6955
144.1010881
1-Aminocyclopropanecarboxylic acid
1-Aminocyclopropanecarboxylic acid
ME308207
133503
-
316.477
143.0808645
1-Eicosatrienoyl-sn-glycero-3-phosphoethanolamine
LPE 20:3
ME308783
-
-
171.83
504.2995414
1H-Indole-3-propanoic acid
3-Indolepropionic acid
ME308751
-
-
325.4365
401.1508836
1-Methyladenosine
1-Methyladenosine
ME308477
27476
C02494
375.306
264.1062918
1-methylguanosine
1-Methylguanosine
ME308523
96373
-
401.3075
280.1012233
1-Methylnicotinamide
1-Methyl nicotinamide
ME308202
457
C02918
200.6645
138.0761342
1-Myristoyl-sn-glycero-3-phosphocholine
LPC 14:0/0:0
ME308771
-
-
174.327
468.3074978
1-Naphthol
1-Naphthol
ME308599
7005
C11714
392.584
306.1539684
1-O-(cis-9-Octadecenyl)-2-O-acetyl-sn-glycero-3-ph...
PC O-18:1/2:0
ME308801
-
-
163.574
550.3846862
1-Oleoyl-sn-glycero-3-phosphocholine
LPC 18:1/0:0
ME308808
-
C04230
183.295
566.3059152
1-O-Octadecyl-sn-glyceryl-3-phosphorylcholine
LPC O-18:0
ME308786
-
-
176.927
510.3883013
1-Palmitoyl-2-hydroxy-sn-glycero-3-phosphoethanola...
LPE 16:0/0:0
ME308767
-
-
181.395
454.2930782
1-Palmitoylglycerol
MG 16:0/0:0/0:0
ME308606
-
-
129.318
313.273326
1-Palmitoyllysophosphatidylcholine
LPC 16:0
ME308805
-
-
306.126
560.3445452
1-Palmitoyl-sn-glycero-3-phosphocholine
LPA 16:0/0:0
ME308782
-
C04230
176.134
496.338733
1-Salicylate glucuronide
1-Salicylate glucuronide
ME308729
3084023
-
404.4425
378.0882844
1-Stearoyl-2-oleoyl-sn-glycerol 3-phosphocholine (...
PC 18:0_18:1
ME308825
-
-
130.025
788.6088332
1-Stearoyl-sn-glycerol 3-phosphocholine
LPC 18:0
ME308790
-
-
167.3805
523.3569006
20-Hydroxyarachidonic acid
20-HETE
ME308709
-
C14748
41.482
362.2669648
2(1H)-Pyridinone
2-Hydroxypyridine
ME308157
-
-
244.988
96.04320297
24,25-Hydroxyvitamin D3
24,25-Dihydroxyvitamin D3
ME308735
-
-
44.375
381.3095071
2',4'-Dihydroxyacetophenone
2',4'-Dihydroxyacetophenone
ME308197
6990
C03663
385.294
135.0470274
2-Amino-2-methyl-1,3-propanediol
-
ME308147
-
-
292.775
70.06486177
2'-Deoxyadenosine 5'-monophosphate (dAMP)
dAMP
ME308645
12599
C00360
402.466
332.0738818
2'-Deoxyinosine
Deoxyinosine
ME308447
-
C05512
171.766
253.0916989
(2E,6E)-Farnesol
2E,6E-Farnesol
ME308666
445070
C01126
78.73
337.2355128
2-Hydroxyadenine
2-Hydroxyadenine
ME308228
76900
-
246.557
152.0557397
2-Isopropylmalic acid
2-Isopropylmalic acid
ME308311
5280523
C02504
85.46
194.1020558
2-Ketobutyric acid
3-Methyl pyruvic acid
ME308160
58
C00109
335.016
103.0377275
2-Methoxybenzoic acid
2-Methoxybenzoic acid
ME308227
11370
-
229.415
152.0457799
2-Methyl-3-hydroxybutyric acid
2-Methyl-3-hydroxybutyric acid
ME308176
160471
-
223.087
119.071538
2-Methylbutyroylcarnitine
CAR 4:0;2Me
ME308428
-
-
221.589
246.1694997
2'-O-methylguanosine
2'-O-Methylguanosine
ME308577
97217
-
153.2625
297.1043453
2'-O-methylinosine
-
ME308532
-
-
140.785
283.1030589
2-Phenylacetamide
2-Phenylacetamide
ME308315
-
C02505
45.91
196.0955356
2-Phenylbutyric acid
2-Phenylbutyric acid
ME308682
7590
-
44.5365
346.2001509
3,3-Dimethylacrylic acid
-
ME308159
-
-
364.489
101.0585528
3,4-Dihydroxybenzoate (Protocatechuic acid)
Protocatechuic acid
ME308200
72
C00230
283.525
137.0250029
3,4-Dihydroxyhydrocinnamic acid
3,4-Dihydroxyhydrocinnamic acid
ME308288
348154
C10447
324.655
183.0609725
3,4-Dihydroxyphenylacetic acid
3,4-Dihydroxybenzeneacetic acid
ME308255
547
C01161
276.412
168.0424242
3',5'-Cyclic guanosine monophosphate
3',5' cyclic GMP
ME308637
-
C00942
246.3385
328.036658
3.alpha.-Mannobiose
-
ME308634
-
-
373.74
325.1115267
3-Aminobenzoic acid
-
ME308177
-
-
344.245
120.04305
3-Aminobutanoic acid
3-Aminobutyric acid
ME308251
10932
-
373.632
164.0901677
3-Butynoic acid
3-Butynoic acid
ME308184
-
C06144
108.263
126.0536404
(3-Carboxypropyl)trimethylammonium cation
3-Dehydroxycarnitine
ME308215
-
-
314.647
146.1161744
3-Furancarboxylic acid
3-Furoic acid
ME308190
-
-
118.487
130.048451
3-Hydroxyanthranilic acid
3-Hydroxyanthranilic acid
ME308278
86
C00632
45.905
176.0360301
3-Hydroxybenzoate
3-Hydroxybenzoic acid
ME308326
7420
C00587
223.087
202.0432154
3-Hydroxydodecanoic acid
3-Hydroxydodecanoic acid
ME308462
94216
-
27.165
258.2072214
3-Indoleacetonitrile
3-Indoleacetonitrile
ME308367
-
C02938
133.531
220.0804455
3-Mercaptopyruvic acid
3-Mercaptopyruvic acid
ME308245
98
C00957
250.498
162.0181101
3-Methylglutaric acid
Methylglutaric acid
ME308298
12284
-
348.0775
188.0902973
3-Methylhistamine
3-Methylhistamine
ME308499
69520
C05127
245.0335
273.179586
3-Methylhistidine
3-Methylhistidine
ME308262
64969
C01152
358.9025
170.0909481
3-Methylindole
3-Methylindole
ME308524
6736
C08313
206.836
280.1788684
3-(Methylthio)-1-propanol
3-(Methylthio)-1-propanol
ME308154
10448
-
189.15
89.04079223
3-Methylthiopropionate
3-Methyl-thiopropionic acid
ME308246
563
C08276
212.0605
162.0567881
3-Methyluridine
3-Methyluridine
ME308377
316991
-
272.518
223.0732723
3'-O-methyladenosine
3'-O-Methyladenosine
ME308525
82530
-
141.917
281.1149409
3'-O-methylcytidine
-
ME308412
92918
-
136.426
240.0940654
3'-O-methyluridine
3-Methyluridine
ME308633
316991
-
406.8075
325.0417638
4-(4-Chlorophenyl)-4-hydroxypiperidine
-
ME308279
-
-
245.781
176.0642679
4-Aminophenol
4-Aminophenol
ME308276
996
C02372
207.0405
176.0092782
4-Guanidinobutyric acid
4-Guanidinobutanoic acid
ME308214
500
C01035
337.4715
146.0911097
4-Hexen-1-ol, (E)-
-
ME308211
-
-
85.484
145.0593694
4-Hydroxycinnamic acid
cis-p-Coumaric acid
ME308217
637542
C00811
281.669
147.0425644
4-Isopropylbenzoic acid
4-Isopropylbenzoic acid
ME308379
-
-
394.36
225.1151729
4-Nitroquinoline-1-oxide
4-Nitroquinoline N-oxide
ME308393
-
-
351.321
232.0736782
4-Oxoretinol
4-Oxoretinol
ME308584
5289090
C16683
46.07
301.2147355
(4Z,7Z,10Z,13Z,16Z,19Z)-4,7,10,13,1 6,19-Docosahex...
DHA
ME308715
445580
C06429
47.673
367.2059125
5,2'-O-dimethylcytidine
-
ME308804
-
-
218.127
560.2799228
5-Aminopentanoic acid
5-Aminopentanoic acid
ME308238
138
C00431
89.986
159.1114701
5'-Deoxyadenosine
5'-Deoxyadenosine
ME308798
439182
C05198
376.8955
541.1712583
5-Hydroxyindoleacetate
5-Hydroxyindoleacetic acid
ME308306
1826
C05635
242.0295
192.0641301
5-Hydroxymethylcytidine
-
ME308454
-
-
390.1025
256.0930326
5-L-Glutamyl-L-alanine
gamma-Glutamylalanine
ME308401
440103
C03740
136.9165
236.1229214
5-Methoxyindoleacetate
5-Methoxyindoleacetic acid
ME308481
18986
C05660
376.1325
266.1041029
5-Methyl-5,6-Dihydrouracil
Dihydrothymine
ME308520
-
-
299.445
279.10901
5-Methylcytidine
5-Methylcytidine
ME308508
92918
-
404.6315
275.1335993
5-Methylcytosine
5-Methylcytosine
ME308185
65040
C02376
231.1255
126.0647518
6-Benzylaminopurine
Cytokinin B
ME308381
-
-
286.797
226.1034917
6-Hydroxydopamine
6-Hydroxydopamine
ME308261
4624
-
274.5085
170.0772874
6-Hydroxynicotinic acid
6-Hydroxynicotinic acid
ME308519
72924
C01020
250.558
279.0666625
7,8-Dihydrobiopterin
7,8-Dihydrobiopterin
ME308376
252
C02953
45.0755
222.0971018
7-Methylxanthine
7-Methylxanthine
ME308690
68374
C16353
246.449
350.1361523
7-Oxocholesterol
7-Oxo-cholesterol
ME308738
-
-
32.17
383.3286121
9-cis-Retinal
9-cis-Retinal
ME308680
6436082
C16681
45.8445
345.2403767
9-Decen-1-ol
-
ME308269
-
-
152.446
174.1836951
Abacavir
Abacavir
ME308710
441300
C07624
314.9795
363.0681484
Acadesine (Drug)
Acadesine
ME308457
-
C04663
159.094
258.0934829
Aceclidine
Aceclidine
ME308347
-
-
333.9155
211.1431933
Acetoacetic acid
Acetoacetic acid
ME308152
96
C00164
286.964
85.02738297
Acetylcarnitine
CAR 2:0
ME308332
1
C02571
286.955
204.1225037
Acetylcholine
Acetylcholine
ME308337
187
C01996
277.065
206.137069
Acetyl-DL-Valine
-
ME308240
-
-
226.539
160.0960481
Acetylglycine
N-Acetylglycine
ME308158
10972
-
320.713
100.038235
Acyclovir
Aciclovir
ME308547
-
C06810
245.902
289.1001689
Adenine
Adenine
ME308199
190
C00147
153.198
136.0606383
Adenosine
Adenosine
ME308486
60961
C00212
140.7415
268.1025746
Adenosine 2',3'-cyclic monophosphate
2',3' cyclic AMP
ME308746
6076
-
362.297
393.0677017
Adenosine monophosphate (AMP)
AMP
ME308683
6083
C00020
412.663
348.0692076
ADP-ribose
ADP-ribose
ME308799
192
C00301
410.8895
542.0655656
AFMK
Acetyl-N-formyl-5-methoxykynurenamine
ME308792
-
C05642
113.613
529.220248
AG-17
-
ME308534
-
-
106.777
283.174805
Agomelatine
Agomelatine
ME308417
82148
-
349.6625
244.1277299
Ajmalicine
-
ME308694
-
C09024
245.177
353.1902995
Ala-Ala
Ala-Ala
ME308208
-
C00993
107.271
143.080152
Ala-Gln
Ala-Gln
ME308526
-
-
301.684
281.1244793
Ala-Glu
Ala-Glu
ME308362
-
-
395.0425
219.0960946
Ala-Leu
Ala-Leu
ME308292
-
-
49.61
185.1273379
Ala-Lys
Ala-Lys
ME308360
-
-
415.608
218.1484228
Ala-Phe
Ala-Phe
ME308405
-
-
217.851
237.1219458
Ala-Pro
Ala-Pro
ME308294
-
-
221.34
186.0968928
Ala-Ser
Ala-Ser
ME308359
-
-
99.936
218.1117085
Ala-Thr
Ala-Thr
ME308304
-
-
308.346
191.1010876
Ala-Val
Ala-Val
ME308300
-
-
375.272
189.1218831
all cis-(6,9,12)-Linolenic acid
-
ME308575
-
-
35.9285
296.2571557
Alpha-D-Glucose 1,6-bisphosphate
Glucose 1,6-bisphosphate
ME308736
82400
C01231
426.032
382.027964
alpha-Guanidinoglutaric Acid
alpha-Guanidinoglutaric acid
ME308397
-
-
148.256
234.0416536
alpha-ketoglutarate
2-Oxoglutaric acid
ME308560
25775
C00026
374.344
293.0450615
.alpha.-L-Glu-L-Asp
Glu-Asp
ME308583
-
-
249.135
301.0457748
Altretamine
Altretamine
ME308443
2123
-
107.955
252.1939551
Amitriptyline
Amitriptyline
ME308517
-
-
74.271
277.1785183
Anisomycin
Anisomycin
ME308388
-
-
221.041
230.1196649
Anthranilic acid (Vitamin L1)
-
ME308275
227
C00108
268.715
176.0093287
Arachidonic Acid (peroxide free)
Arachidonic acid
ME308598
444899
C00219
45.381
305.2456912
Arachidonoylglycine
N-Arachidonoyl glycine
ME308707
-
-
261.1995
361.2536863
Arecoline
Arecoline
ME308648
2230
C10129
141.8365
333.1752514
Arg-Ala
Arg-Ala
ME308423
-
-
290.3365
245.1485881
Arg-Asp
Arg-Asp
ME308554
-
-
338.794
290.1487217
Arg-Cys
Arg-Cys
ME308671
-
-
319.741
341.1440244
Arg-Gln
Arg-Gln
ME308590
-
-
419.083
303.1757926
Arg-Glu
Arg-Glu
ME308714
-
-
265.553
367.1704804
Arg-Ile
Arg-Ile
ME308545
-
-
349.032
288.201352
Argininosuccinic acid
Argininosuccinic acid
ME308557
16950
C03406
381.413
291.136622
Arg-Phe
Arg-Phe
ME308627
-
-
318.431
322.18541
Arg-Ser
Arg-Ser
ME308625
-
-
443.457
322.1744666
Arg-Thr
Arg-Thr
ME308659
-
-
245.2415
336.1897685
Arg-Tyr
Arg-Tyr
ME308664
-
-
437.5555
337.170182
Arg-Val
Arg-Val
ME308504
-
-
360.336
274.1857288
Asp-Arg
Asp-Arg
ME308553
-
-
422.998
290.144218
Asp-Thr
Asp-Thr
ME308355
-
-
142.836
217.0805086
Azelaic acid
Azelaic acid
ME308382
2266
C08261
347.497
227.0654296
Bebeerine
Bebeerine
ME308817
-
-
395.3425
655.2956402
Benomyl
-
ME308698
-
-
206.394
357.0909816
Benzoylecgonine
Benzoyl ecgonine
ME308452
442997
C10847
129.6785
254.1157563
Benzylazanium
Benzylamine
ME308449
-
-
137.6315
253.1107409
Bestatin
Bestatin
ME308756
-
-
89.303
423.0535878
beta-Alanine
beta-Alanine
ME308156
-
C00099
345.783
90.05394416
.beta.-Cyano-L-alanine
Cyanoalanine
ME308271
-
-
202.323
175.0698005
.beta.-Homoproline
-
ME308267
-
-
123.3165
174.0494788
Betaine
Betaine
ME308174
247
C00719
254.1275
118.0859808
Betaine aldehyde
Betaine aldehyde
ME308249
249
C00576
287.437
162.1113688
beta-Octylglucoside
beta-Octylglucoside
ME308717
-
-
238.53
369.1105287
Bethanechol cation
-
ME308407
-
-
154.727
238.0532244
Biliverdin
Biliverdin
ME308810
5353439
C00500
39.227
583.2517162
Biopterin
Biopterin
ME308408
445040
C06313
242.1565
238.0919397
Bupropion
Bupropion
ME308410
444
C06860
288.576
239.1014637
Caffeine
Caffeine
ME308758
-
C07481
214.5735
427.1312011
Cannabidiol
-
ME308761
-
-
401.9515
429.09884
Caproic acid
Caproic acid
ME308234
3246938
C01585
317.061
158.1161717
Carbamazepine
Carbamazepine
ME308518
-
C06868
140.957
278.1330734
Carbaryl
Carbaryl
ME308328
-
-
40.832
202.0846414
Carvone
Carvone
ME308630
-
-
303.845
323.2062721
Celastrol
Celastrol
ME308763
122724
-
33.1855
433.2713625
Chlorpromazine
Chlorpromazine
ME308615
2726
-
348.857
319.1096362
Choline
Choline
ME308162
305
C00114
366.6755
104.1058544
Cimetidine
Cimetidine
ME308566
-
-
364.5495
294.1435445
cis-9-Palmitoleic acid
Palmitoleic acid
ME308497
445638
C08362
100.439
272.2569133
Citramalic acid
Citramalic acid
ME308222
1081
C00815
173.644
149.0441086
Citrate
Citric acid
ME308344
311
C00158
68.4015
210.0605897
Clofibrate
Clofibrate
ME308541
2796
C06916
397.329
287.0382874
Compactin
-
ME308722
-
-
215.9395
373.2429199
Coumarin
Coumarin
ME308216
323
C05851
38.6655
147.045836
Creatine
Creatine
ME308193
586
C00300
238.8255
132.0793706
Crotonic acid
Crotonic acid
ME308264
-
-
239.427
173.0794223
Cyclohexylamine
Cyclohexylamine
ME308206
7965
C00571
213.2825
141.1372505
Cyclopamine
Cyclopamine
ME308777
-
-
399.469
478.2636868
Cytidine
Cytidine
ME308785
6175
C00475
226.863
509.1578062
Cytidine 5'-diphosphocholine (CDP-choline)
Cytidine 5'-diphosphocholine
ME308781
13804
C00307
424.0555
489.1121924
Cytosine
Cytosine
ME308166
597
C00380
194.932
112.0494227
D-Alanyl-D-alanine (D-Ala-D-Ala)
-
ME308243
5460362
C00993
38.212
161.0944965
D-Aspartic acid
D-Aspartic acid
ME308195
83887
C00402
385.392
134.0435366
D-Biotin
Biotin
ME308472
171548
C00120
381.649
262.1277568
Decanoyl-L-carnitine
CAR 10:0
ME308611
-
-
173.085
316.2468739
Dehydroabietic acid
Dehydroabietic acid
ME308582
-
-
423.598
300.2014711
Deoxyadenosine
Deoxyadenosine
ME308441
13730
C00212
137.629
252.1082261
Deoxycholic acid
Deoxycholic acid
ME308700
222528
C04483
319.295
357.2838236
Deoxycytidine
Deoxycytidine
ME308384
13711
C00881
318.365
228.0980527
Deoxyguanosine
Deoxyguanosine
ME308550
187790
C00330
215.481
290.0845268
Deoxyinosine
Deoxyinosine
ME308444
65058
C05512
207.0305
253.0933807
Deoxythymidine 5'-phosphate (dTMP)
dTMP
ME308677
9700
C00364
397.1295
345.0415681
Desipramine
Desipramine
ME308647
2995
C06943
415.105
333.1389685
Desmosterol
Desmosterol
ME308742
439577
C01802
31.8035
385.3451663
Desoxypeganine
3-Deoxyvasicine
ME308678
-
-
114.9695
345.2115531
Dextromethorphan
Dextromethorphan
ME308646
-
-
49
332.2173008
D-Galactarate
Galactaric acid
ME308440
607
C00818
381.1085
252.071142
D-Glucarate
Glucaric acid
ME308383
607
C00818
347.497
228.0684435
D-Glucose 6-phosphate
Glucose 6-phosphate
ME308587
5958
C00092
266.24
302.0676668
D-Glucuronate
Glucuronic acid
ME308453
444791
C00191
295.348
255.0726746
Diaminopimelic acid
Diaminopimelic acid
ME308230
439283
C00666
288.607
155.0800353
Diethanolamine
Diethanolamine
ME308164
8113
C06772
291.157
106.085299
Diethylcarbamazine
-
ME308482
-
C07968
109.923
266.1220529
Dihydro-4,4-dimethyl-2,3-furandione
2-Dehydropantolactone
ME308501
-
-
257.46
274.1228114
Dihydrocapsaicin
Dihydrocapsaicin
ME308681
-
-
227.893
346.1775333
Dihydrolipoate (dihydrolipoic acid)
(R)-Dihydrolipoic acid
ME308341
421
C02147
285.659
208.0621907
Dimethylbenzimidazole
Dimethylbenzimidazole
ME308563
675
C03114
213.961
293.1692488
Dimethylformamide
-
ME308149
-
-
96.189
74.05920702
Dimethylglycine
Dimethylglycine
ME308161
673
C01026
283.544
104.0697015
Diosmin
Diosmin
ME308815
-
-
293.051
626.2025001
DL-2,4-Diaminobutyric acid
-
ME308151
-
-
320.715
83.05944281
DL-2-Aminoadipic acid
alpha-Aminoadipic acid
ME308247
469
C00956
390.818
162.0746242
DL-2-Phosphoglycerate
2-Phosphoglyceric acid
ME308430
59
-
102.19
247.0190492
DL-3-Hydroxybutyric acid
3-Hydroxybutyric acid
ME308153
441
C01089
356.893
87.04301559
DL-.alpha.-Phenylglycine
-
ME308618
-
-
46.768
320.1618678
DL-Homoserine
Homoserine
ME308242
-
-
98.7195
161.0907905
DL-Indole-3-lactic acid
Indolelactic acid
ME308297
-
-
239.347
188.06942
DL-Methionine sulfoxide
Methionine sulfoxide
ME308253
21100
C05588
347.99
166.0517428
DL-Vanillylmandelic acid
D-Serine
ME308470
71077
C05584
391.857
262.072816
D-Maltose
Maltose
ME308675
10991489
C00208
431.509
343.1220662
D-Mannitol
Mannitol
ME308743
6251
C00392
373.7415
387.1380762
D-Mannose
Mannose
ME308706
18950
C00159
385.996
361.136116
D-Mannose 1-phosphate
Mannose 1-phosphate
ME308620
644175
C00636
292.42
321.0569897
Dodecanoic acid
Lauric acid
ME308361
3893
C02530
66.733
218.2099167
Dopamine
Dopamine
ME308173
681
C03758
49.665
118.0636562
D-Ornithine
D-Ornithine
ME308268
71082
C00515
294.5645
174.1226454
D-Ribose
Ribose
ME308224
5779
C00121
101.449
150.0535474
D-Sorbitol 6-phosphate
-
ME308668
-
C01096
365.029
339.0739088
Eicosapentaenoic acid
Eicosapentaenoic acid
ME308591
446284
C06428
46.9175
303.2300389
Eicosapentaenoic Acid ethyl ester
-
ME308718
-
-
39.991
369.2251984
Enalaprilat
-
ME308688
-
-
326.943
349.1773587
epsilon-Captrolactone
-
ME308232
-
-
346.5385
156.1002798
Ergothioneine
Ergothioneine
ME308776
5351619
C05570
319.148
478.2149506
Erucamide
13Z-Docosenamide
ME308667
-
-
33.114
338.3401607
Erythritol
Erythritol
ME308210
222285
C00503
286.9135
145.0480406
Erythrono-1,4-lactone
Erythrono-1,4-lactone
ME308286
-
-
190.912
182.0466877
Ethionamide
-
ME308387
2761171
C07665
245.84
230.0684616
Ethyl glucuronide
Ethyl glucuronide
ME308531
18392195
-
293.64
283.1041041
Ethylmalonic acid
Ethylmalonic acid
ME308527
11756
-
383.051
282.1170537
Etodolac
Etodolac
ME308685
3308
C06991
88.58
348.1746343
Famciclovir
-
ME308737
-
-
43.7565
382.1747535
Fexofenadine
Fexofenadine
ME308832
-
C06999
171.567
1025.552562
Fisetin
Fisetin
ME308689
-
-
410.753
350.0703412
Flavin adenine dinucleotide (FAD)
FAD
ME308824
643975
C00016
380.124
786.1616571
Flavin mononucleotide (FMN)
FMN
ME308768
643976
C00061
390.7715
457.1092847
Flavone
Flavone
ME308378
10680
C10043
433.251
223.0806485
Flucytosine
Flucytosine
ME308576
3366
-
338.613
297.0298292
Flumequine
Flumequine
ME308797
3374
-
420.718
540.1882973
Fluoxetine
Fluoxetine
ME308720
-
-
407.8875
370.1690777
Formylanthranilic acid
Formylanthranilic acid
ME308380
101399
C05653
108.5685
226.0672047
Gaboxadol
-
ME308205
-
-
100.552
141.0643975
.gamma.-L-Glu-.epsilon.-L-Lys
-
ME308673
-
-
248.51
342.1072215
gamma-L-Glutamyl-L-glutamic acid
gamma-Glutamylglutamic acid
ME308514
92865
C05282
443.1955
277.1015265
gamma-L-Glutamyl-L-valine
-
ME308386
5317736
-
360.096
229.1171992
gamma-Tocopherol
gamma-Tocopherol
ME308778
-
C02483
366.129
483.3145851
gamma-Tocotrienol
gamma-Tocotrienol
ME308780
-
C14155
352.791
487.2387631
Glucosaminic acid
Glucosaminic acid
ME308314
-
-
340.014
196.0783428
Glu-Pro
Glu-Pro
ME308473
-
-
151.6425
262.1384055
Glutaconic acid
Glutaconic acid
ME308191
5280498
C02214
379.701
131.0326288
Glutaraldehyde
Glutaral
ME308325
-
-
313.932
201.1153283
Glutaric acid
Glutaric acid
ME308528
743
C00489
129.522
282.1182767
Glutathione disulfide
Oxidized glutathione
ME308813
975
C00127
476.348
613.1564329
Glu-Thr
Glu-Thr
ME308495
-
-
289.4335
271.0888837
Gly-Arg
Gly-Arg
ME308394
-
-
419.0035
232.1386822
Glycerophosphocholine
sn-Glycero-3-phosphocholine
ME308459
71920
C00670
366.6255
258.1097528
Glycine
Glycine
ME308171
750
C00037
341.5935
117.0645305
Glycogen
Glycogen
ME308821
439177
C00369
27.87
684.2616789
Glycyl-L-leucine
Gly-Leu
ME308727
92843
C02155
273.79
377.2484113
Glycylproline
Gly-Pro
ME308395
79101
-
410.1385
233.1121092
Gly-Gln
Gly-Gln
ME308293
-
-
98.4385
186.0858152
Gly-Lys
Gly-Lys
ME308432
-
-
369.062
248.0937622
Gly-Ser
Gly-Ser
ME308285
-
-
362.363
180.1004002
Gly-Val
Gly-Val
ME308233
-
-
93.971
157.0957137
Guanidineacetic acid
Guanidoacetic acid
ME308237
-
C00581
69.5205
159.0901817
Guanosine
Guanosine
ME308536
6802
C00387
285.508
284.0977155
Harmane
Harman
ME308289
-
-
43.061
183.0899679
Harmine
Harmine
ME308389
5280953
C06538
329.924
230.1234061
Harpagoside
Harpagoside
ME308795
-
-
27.424
536.2136584
Heptadecanoic acid
Margaric acid
ME308546
10465
-
49.676
288.2880943
Hexanoylglycine
Hexanoylglycine
ME308352
99463
-
48.865
215.1380244
Hippuric acid, methyl ester
-
ME308346
-
-
77.955
211.1062094
His-Ala
His-Ala
ME308487
-
-
48.143
268.1358158
His-Asp
His-Asp
ME308561
-
-
376.8815
293.0829682
His-Glu
His-Glu
ME308538
-
-
313.7005
285.1185075
His-Gly
His-Gly
ME308510
-
-
310.514
276.1020673
His-His
His-His
ME308562
-
-
313.533
293.1329552
His-Ile
His-Ile
ME308492
-
-
277.089
269.159389
His-Met
His-Met
ME308542
-
-
474.347
287.1153953
His-Phe
His-Phe
ME308716
-
-
294.7115
369.0870354
His-Pro
His-Pro
ME308567
-
-
225.406
294.1575181
Histamine
Histamine
ME308167
774
C00388
360.09
112.085642
His-Tyr
His-Tyr
ME308658
-
-
157.559
336.1689834
Homoveratric acid
Homoveratric acid
ME308312
7139
-
246.597
196.071905
Hypotaurine
Hypotaurine
ME308165
107812
C00519
324.252
110.0259097
Hypoxanthine
Hypoxanthine
ME308201
790
C00262
140.535
137.0444168
IBMX
-
ME308581
-
-
373.6535
299.0265839
Ibuprofen
Ibuprofen
ME308762
3672
C01588
247.132
430.3002356
Ile-Ala
Ile-Ala
ME308330
-
-
44.641
203.1384808
Ile-Arg
Ile-Arg
ME308544
-
-
313.9125
288.2016285
Ile-Asn
Ile-Asn
ME308422
-
-
42.907
245.1354313
Ile-Asp
Ile-Asp
ME308793
-
-
126.049
531.1991622
Ile-Cys
Ile-Cys
ME308442
-
-
362.3095
252.1433322
Ile-Glu
Ile-Glu
ME308788
-
-
288.777
521.2911905
Ile-Ile
Ile-Ile
ME308424
-
-
172.9825
245.184509
Ile-Lys
Ile-Lys
ME308796
-
-
174.364
536.4041581
Ile-Met
Ile-Met
ME308806
-
-
482.2755
563.245945
Ile-Phe
Ile-Phe
ME308521
-
-
160.3635
279.1687225
Ile-Pro
Ile-Pro
ME308494
-
-
469.1975
270.1797165
Ile-Ser
Ile-Ser
ME308466
-
-
268.095
260.1593901
Ile-Thr
Ile-Thr
ME308502
-
-
87.789
274.1751999
Ile-Trp
Ile-Trp
ME308613
-
-
354.324
318.1753295
Ile-Tyr
Ile-Tyr
ME308702
-
-
360.7995
358.1704671
Ile-Val
Ile-Val
ME308558
-
-
122.5755
291.1941094
Imidazole
Imidazole
ME308188
795
C01589
320.816
129.0650371
Imidazoleacetic acid
Imidazoleacetic acid
ME308186
96215
C02835
304.441
127.049007
Iminodiacetic acid
Iminodiacetate
ME308318
8897
C19911
263.064
197.0573243
Indole
Indole
ME308172
798
C00463
223.059
118.0638366
Indole-3-pyruvic acid
Indolepyruvate
ME308370
0
C00331
276.445
221.0905113
Indoleacetic acid
Indoleacetic acid
ME308310
802
C00954
128.633
193.095556
Indoleacrylic acid
Indoleacrylic acid
ME308723
15030923
-
148.2575
375.1279874
Inosine
Inosine
ME308490
6021
C00294
205.162
269.0870177
Inosine 5'-monophosphate (IMP)
IMP
ME308686
8582
C00130
430.123
349.0527915
IS
-
ME308322
-
-
223.0655
200.0463695
isocarboxazid
-
ME308559
-
-
93.7145
292.1310778
Isomaltose
Isomaltose
ME308705
439193
C00252
393.094
360.148221
Isopentenyl pyrophosphate
Isopentenyl-diphosphate
ME308600
1195
-
266.168
307.0309294
Isovalerylglycine
Isovalerylglycine
ME308239
546304
-
316.797
160.0953893
Jasmine lactone
-
ME308665
6438070
-
137.525
337.2356483
Kinetin
Kinetin
ME308511
-
-
206.422
276.1045639
L-Alanine
Alanine
ME308155
5950
C00041
80.521
90.05405532
L-Arabinose
Lyxose
ME308226
439195
C00259
103.382
151.0580069
L-Arginine
Arginine
ME308272
6322
C00062
566.765
175.1179859
L-Aspartyl-L-phenylalanine
Asp-Phe
ME308747
93078
-
103.258
394.9762101
Lavandulol
-
ME308644
-
-
168.625
331.2655549
L-Carnitine
Carnitine
ME308248
2724480
C00318
334.893
162.1120782
L-Citrulline
Citrulline
ME308280
9750
C00327
369.893
176.101432
Leu-Glu
Leu-Glu
ME308621
-
-
45.093
321.1663375
Leu-Ile
Leu-Ile
ME308784
-
-
182.4095
506.4021411
Leu-Leu
Leu-Leu
ME308425
-
-
38.0465
245.1851559
Leu-Ser
Leu-Ser
ME308465
-
-
51.014
260.1591134
Leu-Thr
Leu-Thr
ME308396
-
-
224.0355
233.148252
Leu-Trp
Leu-Trp
ME308614
-
-
170.113
318.1795966
Leu-Tyr
Leu-Tyr
ME308571
-
-
192.124
295.1636348
Leu-Val
Leu-Val
ME308568
-
-
310.2645
294.1795406
Levulinic acid
Levulinic acid
ME308438
11579
-
364.547
250.1271251
L-Fucitol
Fucitol
ME308342
-
-
138.803
208.1161842
L-Fucose
Fucose
ME308336
17106
C01019
370.5055
206.1008634
L-Glutamate
Glutamic acid
ME308220
33032
C00025
379.791
148.05993
L-Glutamine
Glutamine
ME308218
5961
C00064
249.111
147.0750342
L-Histidine
Histidine
ME308231
6274
C00135
362.922
156.0753032
L-Histidinol phosphate
L-Histidinol phosphate
ME308480
792
C01100
325.425
266.0246307
L-homocysteic acid
Homocysteic acid
ME308290
177491
C16511
341.018
184.0258688
Linalool oxide
-
ME308351
-
-
129.0485
215.1012545
Linoleic acid
Linoleic acid
ME308580
5280450
C01595
35.654
298.2721805
Lisinopril
Lisinopril
ME308772
5362119
-
145.305
472.1721028
L-Kynurenine
Kynurenine
ME308343
161166
C00328
241.888
209.0904435
L-Leucine
Leucine
ME308194
6106
C00123
243.674
132.1010852
L-leucyl-L-proline
Leu-Pro
ME308548
-
-
72.4845
289.1783228
L-Lysine
Lysine
ME308219
5962
C00047
492.9535
147.1113186
L-Methionine
Methionine
ME308225
6137
C00073
264.349
150.0567658
L-NG-Monomethylarginine
-
ME308390
-
-
283.596
230.1567496
L-Norleucine
Norleucine
ME308308
21236
C01933
248.555
192.1215736
Lomefloxacin
-
ME308651
-
-
73.1
334.1412969
L-Palmitoylcarnitine
CAR 16:0
ME308750
11953816
C02990
155.6285
400.3413412
L-Phenylalanine
Phenylalanine
ME308254
6140
C00079
163.196
166.0846709
L-Proline
Proline
ME308170
145742
C00148
307.581
116.0695154
L-Pyroglutamic acid
Pyroglutamic acid
ME308302
7405
C01879
373.015
190.068865
L-Saccharopine
Saccharopine
ME308674
160556
C00449
326.4845
343.0912468
L-Threonate
Threonic acid
ME308198
-
C01620
268.7665
136.0378103
L-Threonine
Threonine
ME308284
6288
C00188
375.238
180.0850649
L-Tyrosine
Tyrosine
ME308287
6057
C00082
183.311
182.0798726
L-Valine
Valine
ME308456
6287
C00183
88.008
257.1481605
Lys-Asn
Lys-Asn
ME308464
-
-
353.5165
260.1490014
Lys-Asp
Lys-Asp
ME308638
-
-
337.0335
328.0802017
Lys-Cys
Lys-Cys
ME308610
-
-
424.428
316.0648086
Lys-Gly
Lys-Gly
ME308333
-
-
146.821
204.1329182
Lys-Ile
Lys-Ile
ME308415
-
-
52.2925
242.1847236
Lys-Leu
Lys-Leu
ME308467
-
-
504.163
260.1946139
Lys-Lys
Lys-Lys
ME308672
-
-
371.824
341.1551216
Lyso-PAF C-18
-
ME308791
-
-
118.231
528.4227378
Lys-Phe
Lys-Phe
ME308696
-
-
466.057
354.2084361
Lys-Pro
Lys-Pro
ME308418
-
-
450.278
244.1643476
Lys-Ser
Lys-Ser
ME308320
-
-
36.184
198.1192443
Lys-Thr
Lys-Thr
ME308349
-
-
318.428
212.1377378
Lys-Trp
Lys-Trp
ME308649
-
-
343.023
333.1940958
Lys-Val
Lys-Val
ME308601
-
-
316.56
309.1905769
Malonic acid
Malonic acid
ME308213
867
C00383
401.8555
146.043429
Maltopentaose
Maltopentaose
ME308830
13489094
-
488.593
829.2794353
Maltotetraose
Maltotetraose
ME308816
439639
C02052
475.533
649.2162391
Maltotriose
Maltotriose
ME308789
439586
C01835
442.837
522.2002843
Mandelonitrile
2-Hydroxy-2-phenylacetonitrile
ME308595
9548674
C00561
354.88
305.0649587
Matairesinol
Matairesinol
ME308822
345761
C10682
447.835
755.2653039
Mebendazole
-
ME308662
4030
-
38.029
337.1225188
Meclofenoxate
-
ME308458
-
-
181.476
258.0935071
(-)-Medicarpin
-
ME308650
-
-
467.482
334.1049919
Mefloquine
Mefloquine
ME308730
-
-
348.7235
379.1193517
Meloxicam
Meloxicam
ME308691
-
-
339.4705
351.0379255
Mestranol
Mestranol
ME308564
6291
C07618
35.783
293.1849608
Met-Ala
Met-Ala
ME308371
-
-
114.186
221.0904247
Metaproterenol
-
ME308509
-
-
352.702
275.1333473
Met-Cys
Met-Cys
ME308493
-
-
394.289
270.099269
Methacholine
Methacholine
ME308704
-
-
45.514
359.2277466
(+)-Methamphetamine
Methamphetamine
ME308263
-
-
160.461
172.1108329
Methoprene (S)
Methoprene
ME308603
-
-
41.243
311.2563675
Methyl acetoacetate
Methylacetoacetic acid
ME308196
-
-
47.901
134.0798328
Methylmalonic acid
Methylmalonic acid
ME308175
487
C02170
160.996
119.0337411
Methysergide
Methysergide
ME308721
-
-
287.7085
371.23806
Met-Thr
Met-Thr
ME308439
-
-
50.334
251.1043884
Met-Tyr
Met-Tyr
ME308570
-
-
37.273
295.1150532
Met-Val
Met-Val
ME308434
-
-
326.7785
248.1222366
Metyrapone
Metyrapone
ME308489
4174
C14818
377.876
268.1387646
(+-)-Mevalonolactone
Mevalonolactone
ME308221
-
-
305.8945
148.095542
Mexiletine
Mexiletine
ME308358
-
-
271.289
218.0927246
Miconazole
-
ME308753
-
-
350.5325
414.9992305
Mimosine
Mimosine
ME308353
-
-
351.279
216.096274
Monoethylglycylxylidide (MEGX)
-
ME308420
-
-
313.932
245.1054729
Monomethyl glutaric acid
Monomethyl glutaric acid
ME308642
73917
-
222.1075
331.0756242
(+)-Muscarine cation
-
ME308744
-
-
216.0415
387.2584627
Myristic acid
Myristic acid
ME308429
11005
C06424
55.466
246.2413742
N1-Acetylspermine
N1-Acetylspermine
ME308549
916
C02567
314.0845
289.2046255
N1,N12-Diacetylspermine
N1,N12-Diacetylspermine
ME308643
-
-
374.109
331.206955
N2-Acetyl-L-ornithine
N-Acetylornithine
ME308414
439232
C00437
411.6525
241.0577839
N2,N2-Dimethylguanosine
N2,N2-Dimethylguanosine
ME308605
92919
-
379.102
312.1255096
N6-Acetyl-L-lysine
N6-Acetyllysine
ME308345
92832
C02727
134.517
211.1062731
N6-Methyl-L-lysine
N(6)-Methyllysine
ME308244
164795
C02728
288.9635
161.1269503
N6,N6,N6-Trimethyl-L-lysine
N-6-Trimethyllysine
ME308301
440120
C03793
496.5895
189.1595212
N-Acetylaspartylglutamate (NAAG)
N-Acetyl-Asp-Glu
ME308596
5255
C12270
427.2505
305.0967539
N-Acetylcadaverine
N-Acetylcadaverine
ME308212
189087
-
288.85
145.1320783
N-Acetyl-D-galactosamine
N-Acetylgalactosamine
ME308483
14035695
C01074
45.8955
266.1736491
N-Acetyl-D-glucosamine
N-Acetylglucosamine
ME308375
439174
C00140
244.302
222.0962273
N-Acetyl-D-Glucosamine 6-Phosphate
N-Acetyl-glucosamine 6-phosphate
ME308535
440996
C00357
433.947
284.051505
N-Acetyl-D-lactosamine
N-Acetyllactosamine
ME308684
-
-
286.069
348.1245435
N-Acetylglucosamine 1-phosphate
N-Acetylglucosamine 1-phosphate
ME308586
445675
-
349.7575
302.0622603
N-Acetylglucosaminylasparagine
Aspartylglycosamine
ME308701
-
-
385.021
358.1247246
N-Acetyl-L-alanine
N-Acetylalanine
ME308277
88064
-
222.1595
176.0338341
N-Acetyl-L-aspartic acid
N-Acetylaspartic acid
ME308354
65065
C01042
319.4935
217.0817094
N-Acetyl-L-tyrosine
N-Acetyltyrosine
ME308485
68310
C01657
89.656
268.0623531
N-Acetylmannosamine
N-Acetyl-mannosamine
ME308374
11096158
C00645
131.722
222.0969819
N-Acetylputrescine
N-Acetylputrescine
ME308305
122356
C02714
45.647
191.1416012
N-Acetylserotonin
N-Acetylserotonin
ME308363
903
C00978
149.784
219.1112442
Nafcillin
Nafcillin
ME308731
-
-
324.817
379.1194832
Nalidixic acid
Nalidixic acid
ME308770
-
-
312.9145
465.1690703
N-.alpha.-Acetyl-L-arginine
N-Acetylarginine
ME308356
-
-
350.377
217.128491
Nateglinide
-
ME308734
-
-
46.731
381.2224672
N-Benzyloxycarbonylglycine
N-Benzyloxycarbonylglycine
ME308307
-
C03710
49.624
192.0641307
N-carbamoyl-L-aspartate
Carbamoylaspartate
ME308357
93072
C00438
319.491
218.0745065
N-Carbamylglutamate
Carglumic acid
ME308754
-
C05829
406.6495
419.0871716
N-Desmethyldiazepam (Nordazepam)
-
ME308609
-
-
425.0425
315.0309549
N-Desmethylselegiline
-
ME308719
-
-
242.2745
369.2313294
Neolinustatin
-
ME308757
-
-
283.7015
423.1828604
N-epsilon,N-epsilon,N-epsilon-Trimethyllysine
N-6-Trimethyllysine
ME308450
-
-
263.635
253.1759834
N-Formylmethionine
N-Formylmethionine
ME308373
6995182
C03145
186.874
222.0160843
NG,NG-dimethyl-L-arginine(ADMA)
-
ME308331
-
-
464.567
203.1491364
Nicorandil
Nicorandil
ME308445
-
-
241.587
253.0991883
Nicotinamide
Niacinamide
ME308181
936
C00153
61.872
123.0540729
Nicotinamide adenine dinucleotide (NAD)
NAD
ME308818
5893
C00003
416.899
664.1134173
Nicotinate D-ribonucleotide
Nicotinic acid mononucleotide
ME308655
53477721
C01185
448.807
336.0461833
Nicotine
Nicotine
ME308250
942
C00745
79.413
163.1215174
Nicotinic acid adenine dinucleotide (NAAD)
Nicotinic acid adenine dinucleotide
ME308819
165491
-
425.485
665.0973357
Nicotinyl
-
ME308274
-
-
160.324
176.0034918
Niflumic Acid
Niflumic acid
ME308530
-
-
172.933
283.0731112
Nitrobenzene
-
ME308163
-
-
206.8315
106.0274827
N-Methyl-D-aspartic acid
N-Methyl-D-aspartic acid
ME308259
-
-
111.831
170.0432698
N-Methylhydantoin
N-Methylhydantoin
ME308270
-
C02565
119.4085
175.0697794
N-Methyl-L-glutamate
N-Methyl-glutamic acid
ME308335
-
-
143.886
206.0442247
N-Methyltyramine
N-Methyltyramine
ME308313
-
C02442
378.983
196.0717363
N,N'-Diacetylchitobiose
N,N'-Diacetylchitobiose
ME308831
22833609
C01674
456.002
849.3438413
N,N-Dimethylaniline
N,N-Dimethylaniline
ME308180
949
C02846
616.652
122.0948696
N-(omega)-Hydroxyarginine
-
ME308451
440849
C05933
49.64
254.1200583
Norepinephrine (noradrenaline)
Xi-Norepinephrine
ME308670
-
-
34.892
339.1606685
Norfloxacin
Norfloxacin
ME308617
4539
C06687
122.345
320.1435632
Norharmane
beta-Carboline
ME308703
-
-
288.969
359.1226755
norpropoxyphene
Norpropoxyphene
ME308712
-
-
378.373
364.163122
Nortriptyline
Nortriptyline
ME308476
4543
C07274
35.2685
263.1625901
N-Palmitoylsphingosine
Cer 18:1;O2/16:0
ME308787
-
C00195
33.924
520.5056066
N-Phenylacetamide
N-Acetylarylamine
ME308317
904
C07565
254.979
196.0996634
n-Propyl cinnamate
-
ME308266
-
-
27.158
173.0998521
N-Tigloylglycine
-
ME308283
-
-
98.497
180.0671501
N-Tris[hydroxymethyl]methyl-2-aminoethanesulfonic ...
-
ME308774
-
-
451.949
476.1676603
O-Acetyl-L-serine
O-Acetylserine
ME308260
99478
C00979
379.832
170.0409879
Ornithine
Ornithine
ME308316
6262
C01602
326.4935
196.1065111
Oxaprozin
-
ME308654
-
-
325.245
335.1432802
Oxyphencyclimine
Oxyphencyclimine
ME308679
-
-
358.7805
345.2226334
p-Acetamidophenol (Acetaminophen, Tylenol)
-
ME308635
-
-
431.6575
325.1116434
Palmitic acid
Palmitic acid
ME308505
985
C00249
52.2785
274.2737893
Pantoprazole
Pantoprazole
ME308739
-
-
410.8035
384.0754669
Pantothenate
Pantothenic acid
ME308368
988
C00864
258.7065
220.1165794
Pantothenol
Pantothenol
ME308338
4678
C05944
74.797
206.1369825
Papaverine
-
ME308732
4680
C06533
150.0925
381.1749141
Pargyline
-
ME308660
4688
C07414
43.741
336.2515475
PC(16:0/16:0)
PC 16:0/16:0
ME308827
452110
C00157
181.4045
810.4688695
PC(20:5(5Z,8Z,11Z,14Z,17Z)/20:5(5Z,8Z,11Z,14Z,17Z)...
PC 20:5(5Z,8Z,11Z,14Z,17Z)/20:5(5Z,8Z,11Z,14Z,17Z)
ME308829
-
C00157
116.726
826.5340911
p-CHLOROPHENYLALANINE
-
ME308323
-
-
288.837
200.0473568
Pectin (Galacturonic acid)
Galacturonic acid
ME308348
441476
C08348
133.8065
212.0762976
Pelargonic acid
Pelargonic acid
ME308235
8158
C01601
199.404
158.1273136
Pelletierine
-
ME308329
-
C06182
219.893
202.1423224
Pentadecanoic Acid
Pentadecylic acid
ME308468
13849
C16537
53.5345
260.2569372
Phe-Ala
Phe-Ala
ME308406
-
-
40.873
237.1224157
Phe-Arg
Phe-Arg
ME308626
-
-
291.859
322.185705
Phe-Asn
Phe-Asn
ME308812
-
-
345.9325
597.2142005
Phe-Asp
Phe-Asp
ME308624
-
-
288.505
322.1361918
Phe-Gln
Phe-Gln
ME308565
-
-
245.071
294.1432523
Phe-Glu
Phe-Glu
ME308657
-
-
132.384
336.1568642
Phe-Gly
Phe-Gly
ME308413
-
-
34.167
240.1297758
Phe-Ile
Phe-Ile
ME308522
-
-
36.484
279.1689025
Phenacetine
Phenacetin
ME308725
-
-
235.1535
376.2173446
Phenelzine
-
ME308236
-
-
239.5865
159.0902033
Phenethyl Caffeiate
-
ME308588
-
-
121.106
302.133337
Phenol
Phenol
ME308204
996
C00146
324.015
139.0139277
Phenoxybenzamine
-
ME308592
-
-
241.21
304.1492376
Phenylacetic acid
Phenylacetic acid
ME308552
-
C07086
108.5615
290.1406591
Phenylethylamine
Phenylethylamine
ME308179
1001
C05332
159.112
122.0949776
Phenyllactic acid
Phenyllactic acid
ME308192
3848
-
239.084
131.0477345
Phenylpropionylglycine
Phenylpropionylglycine
ME308426
152323
-
305.866
246.0548752
Phe-Ser
Phe-Ser
ME308400
-
-
171.142
235.109623
Phe-Thr
Phe-Thr
ME308484
-
-
48.321
267.1328525
Phe-Trp
Phe-Trp
ME308692
-
-
157.031
352.1635158
Phe-Tyr
Phe-Tyr
ME308640
-
-
176.169
329.1483601
Phe-Val
Phe-Val
ME308802
-
-
286.6925
551.290421
Phosphoglycolic acid
Phosphoglycolic acid
ME308652
529
C00988
445.433
335.0590279
Phosphorylcholine
Choline phosphate
ME308291
1014
C00588
466.741
184.0728128
Phthalic acid Mono-2-ethylhexyl Ester
Monoethylhexyl phthalic acid
ME308574
-
-
52.6265
296.1918084
Picolinic acid
Picolinic acid
ME308182
1018
C10164
207.0305
124.0379202
Pinacidil
Pindac
ME308623
-
-
402.207
322.0755268
Piracetam
Piracetam
ME308628
-
-
161.107
323.1073804
Pregabalin
Pregabalin
ME308699
-
-
146.7165
357.2114816
Pregnenolone
Pregnenolone
ME308728
53477678
C01953
34.953
377.266221
Prilocaine
Prilocaine
ME308369
-
-
249.85
220.1528667
Primaquine
Primaquine
ME308656
-
-
366.6685
336.0859828
Pro-Ala
Pro-Ala
ME308295
-
-
321.842
187.1066518
Pro-Arg
Pro-Arg
ME308496
-
-
499.812
271.163225
Pro-Asn
Pro-Asn
ME308500
-
-
264.918
274.0729595
Pro-Asp
Pro-Asp
ME308391
-
-
123.236
231.0960523
Procaine
Procaine
ME308402
4914
C07375
353.262
236.1487987
Progesterone
Progesterone
ME308733
5994
C00410
236.922
381.1796334
Pro-Gln
Pro-Gln
ME308540
-
-
363.963
285.1626195
Pro-Glu
Pro-Glu
ME308421
-
-
398.4725
245.1120951
Pro-Gly
Pro-Gly
ME308350
-
-
129.091
214.1172546
Pro-Met
Pro-Met
ME308427
-
-
314.036
246.1082541
Promethazine
Promethazine
ME308539
4927
C07404
108.435
285.1429226
Propazine
-
ME308431
-
-
182.6485
247.1427159
Pro-Phe
Pro-Phe
ME308593
-
-
372.1705
304.1603551
Propionylglycine
Propionylglycine
ME308265
98681
-
94.7745
173.0907219
Propoxur
Propoxur
ME308765
-
-
369.451
441.2070259
Propoxyphene
Caffeine
ME308741
-
C07481
372.671
384.1846455
Pro-Ser
Pro-Ser
ME308755
-
-
46.013
422.2247142
Pro-Thr
Pro-Thr
ME308461
-
-
257.4615
258.1487966
Pro-Trp
Pro-Trp
ME308631
-
-
387.371
324.130326
Pro-Tyr
Pro-Tyr
ME308619
-
-
219.6545
320.1682818
Pro-Val
Pro-Val
ME308455
-
-
78.2755
256.1642099
Prunasin
Prunasin
ME308663
119033
C00844
474.0885
337.1382906
Purine
Purine
ME308460
1044
C15587
154.13
258.1150772
Pyridoxal (Vitamin B6)
Pyridoxal
ME308256
1050
C00250
101.165
168.0641012
Pyridoxamine (PM)
Pyridoxamine
ME308258
1052
C00534
364.0805
169.0956955
Pyrocatechol
Pyrocatechol
ME308229
289
C00090
189.188
152.0691898
Pyroglutamic acid
Pyroglutamic acid
ME308189
-
C01879
303.99
130.0490512
Pyrrolidine
Pyrrolidine
ME308148
31268
-
282.229
72.08005086
Pyruvaldehyde
Pyruvaldehyde
ME308169
880
C00546
348.314
114.0537427
Quadrone
-
ME308556
-
-
371.936
290.1806992
Quinaldic acid
Quinaldic acid
ME308711
7124
C06325
290.1755
364.1275425
Quinate
Quinic acid
ME308403
0
C00296
77.24
237.0346347
(R)-3-Hydroxybutyric acid
3R-Hydroxybutyric acid
ME308257
92135
C01089
225.629
168.0663096
Raffinose
Raffinose
ME308800
10542
C00492
425.463
546.2004258
Ranitidine
Ranitidine
ME308697
-
-
221.571
356.1833996
(R)-(+)-Citronellic acid
Citronellic acid
ME308398
10402
C16462
224.108
234.1514735
Retinene
Retinal
ME308629
638015
C00376
41.68
323.1835564
Retinol (Vitamin A)
Retinol
ME308693
445354
C00473
33.92
353.1760485
Ribitol
Ribitol
ME308597
-
C00474
344.9915
305.1440421
Riboflavin
Riboflavin
ME308726
493570
C00255
199.943
377.1448267
Ribothymidine
Ribothymidine
ME308512
445408
-
317.938
276.1179466
(R)-mevalonic acid 5-Phosphate
5-Phosphomevalonic acid
ME308385
439400
C01107
101.1815
228.1328925
RU-0211
Lubiprostone
ME308752
-
-
186.973
408.248417
(S)-2-Hydroxyglutarate
2-Hydroxyglutaric acid
ME308608
439939
C03196
287.099
314.1008049
Saccharopine
Saccharopine
ME308516
-
C00449
431.086
277.1380282
S-Adenosyl-L-homocysteine
S-Adenosylhomocysteine
ME308740
439155
C00021
390
384.1131976
S-Adenosylmethionine
S-Adenosylmethionine
ME308749
16757548
C00019
445.3865
399.1424903
Salicylic acid
Salicylic acid
ME308327
338
C00805
96.2735
202.0513272
Sarcosine
Sarcosine
ME308324
1088
C00213
276.945
201.0853518
(S)-Citramalic acid
Citramalic acid
ME308309
-
C02614
222.199
193.010548
Scopoline
-
ME308203
-
-
46.8005
138.0897747
Sepiapterin
Sepiapterin
ME308366
65253
C00835
113.752
220.0809645
Ser-Ala
Ser-Ala
ME308281
0
-
85.497
177.0861699
Ser-Leu
Ser-Leu
ME308365
-
-
323.6735
219.132529
Ser-Pro
Ser-Pro
ME308474
-
-
325.395
263.1224631
Ser-Thr
Ser-Thr
ME308340
-
-
320.658
207.0959139
Ser-Val
Ser-Val
ME308296
-
-
146.649
187.1063265
Simazine
Simazine
ME308471
-
-
43.12
262.1093352
Sinapyl alcohol
Sinapyl alcohol
ME308435
5280507
C02325
286.874
249.0538005
S-Methyl-5'-thioadenosine
5'-Methylthioadenosine
ME308578
439176
C00170
99.318
298.0960924
sn-Glycerol 1-phosphate
-
ME308708
-
C00623
210.334
362.1833773
sn-Glycerol 3-phosphoethanolamine
-
ME308319
5459861
-
374.65
198.0511377
Sotalol
Sotalol
ME308555
-
-
377.448
290.1584556
Sphingomyelin (d18:1/18:0)
SM 18:1;O2/18:0
ME308826
5283588
C00550
132.3725
797.5487219
Stachyose
Stachyose
ME308820
439531
C01613
475.5715
667.2265979
Stavudine
Stavudine
ME308339
18283
C07312
396.9735
207.0749959
Stearamide
Stearamide
ME308537
31292
C13846
33.9735
284.2926688
Stearic acid
Stearic acid
ME308641
5281
C01530
182.8695
329.2421305
Stearidonic Acid
Stearidonic acid
ME308569
-
C16300
37.2075
294.241057
Stearoylcarnitine
CAR 18:0
ME308760
6426855
-
152.7345
428.3707377
Suberic acid
Suberic acid
ME308409
10457
C08278
268.628
238.1055949
Suberylglycine
Suberylglycine
ME308498
6453952
-
290.2945
273.1431096
Sulfacetamide
Sulfacetamide
ME308507
5320
-
326.06
275.072142
Taurine
Taurine
ME308183
1123
C00245
279.5515
126.0215561
Taurolithocholic acid
Taurolithocholic acid
ME308779
53477716
C02592
121.695
484.309743
Terfenadine
Terfenadine
ME308773
-
-
291.0215
472.3187002
Terpineol
Terpineol
ME308282
442501
C11393
46.013
177.125947
Theaflavin
Theaflavin
ME308807
-
-
480.7595
564.1375279
Theophylline
Theophylline
ME308416
2153
C07130
244.909
244.0786296
Thiamine
Thiamine
ME308478
1130
C00378
328.364
265.1105639
Thioetheramide-PC
Thioetheramide PC
ME308823
-
-
121.912
780.5521133
Thr-Ala
Thr-Ala
ME308303
-
-
65.468
191.101324
Thr-Arg
Thr-Arg
ME308513
-
-
325.927
276.1626814
Thr-Asp
Thr-Asp
ME308399
-
-
391.063
235.0910978
Thr-Glu
Thr-Glu
ME308436
-
-
387.816
249.1069684
Thr-Ser
Thr-Ser
ME308433
-
-
129.71
248.1227926
Thr-Thr
Thr-Thr
ME308372
-
-
95.852
221.1120354
Thr-Val
Thr-Val
ME308529
-
-
284.9265
282.1492149
Thymidine
Thymidine
ME308589
5789
C00214
358.3835
303.1222343
Thymine
Thymine
ME308187
1135
C00178
101.499
127.048822
Thymol
Thymol
ME308585
-
-
135.705
301.2146509
Tolazoline
-
ME308241
-
-
278.128
160.0955161
trans-2-Hydroxycinnamic acid
trans-o-Coumaric acid
ME308252
-
C01772
281.5015
165.0531434
trans-2-Octenoic acid, ethyl ester
-
ME308404
-
-
131.719
237.088897
trans-2-Phenylcyclopropylamine
-
ME308273
-
-
294.606
175.1252964
trans-cinnamate
trans-Cinnamic acid
ME308223
444539
C00423
239.025
149.0581637
trans-Vaccenic acid
trans-Vaccenic acid
ME308479
5282761
C08367
33.87
265.2511689
trans-Zeatin
trans-Zeatin
ME308764
-
C00371
125.698
439.2273662
Triadimefon
Triadimefon
ME308695
-
-
238.379
354.1253986
Triethanolamine
Triethanolamine
ME308622
7618
C06771
144.422
321.2055187
Triflupromazine
-
ME308653
5568
-
245.749
335.12639
Trigonelline
Trigonelline
ME308515
5570
C01004
268.739
277.1142979
Trimeprazine
Trimeprazine
ME308661
-
-
106.9215
337.106011
Trimethobenzamide
-
ME308745
-
-
131.986
389.2008897
Trimethoprim
Trimethoprim
ME308551
5578
C01965
140.569
290.1330647
Trimethylamine N-oxide
Trimethylamine N-oxide
ME308150
1145
C01104
311.619
76.074763
Trp-Cys
Trp-Cys
ME308687
-
-
237.571
349.1411738
Tryptamine
Tryptamine
ME308676
1150
C00398
43.847
343.1887358
Tulobuterol
-
ME308437
-
-
238.601
250.0921995
(-)-Tylocrebrine
-
ME308724
-
-
247.74
376.1846693
Tyr-Ala
Tyr-Ala
ME308448
-
-
49.672
253.1174724
Tyramine
Tyramine
ME308178
5610
C00483
238.9985
120.0801341
Tyr-Asp
Tyr-Asp
ME308811
-
-
345.2045
593.2132786
Tyr-Glu
Tyr-Glu
ME308602
-
-
248.4515
311.1184623
Tyr-Gly
Tyr-Gly
ME308411
-
-
261.857
239.1012298
Tyr-Leu
Tyr-Leu
ME308572
-
-
43.7815
295.1639006
Tyr-Met
Tyr-Met
ME308604
-
-
162.165
312.1074508
Tyr-Pro
Tyr-Pro
ME308669
-
-
160.4715
339.162168
Tyr-Ser
Tyr-Ser
ME308803
-
-
367.538
554.2527031
Tyr-Thr
Tyr-Thr
ME308533
-
-
64.0055
283.1274368
Tyr-Val
Tyr-Val
ME308579
-
-
42.84
298.1745753
UDP-N-acetylglucosamine
UDP-N-acetylglucosamine
ME308814
445675
C00043
415.5475
625.1122468
Uracil
Uracil
ME308168
1174
C00106
88.602
113.033171
Uridine
Uridine
ME308419
6029
C00299
245.0065
245.081313
Uridine 5'-diphosphate (UDP)
UDP
ME308766
6031
C00015
386.469
446.0438692
Uridine 5'-monophosphate (UMP)
UMP
ME308632
6030
C00105
424.535
325.0419417
(-)-Usnic acid
-
ME308636
-
-
249.872
327.0853601
Val-Ala
Val-Ala
ME308299
-
-
46.7585
189.122656
Val-Arg
Val-Arg
ME308503
-
-
339.0225
274.1858267
Val-Asn
Val-Asn
ME308769
-
-
140.595
463.2522796
Val-Gln
Val-Gln
ME308488
-
-
288.966
268.1293245
Val-Glu
Val-Glu
ME308491
-
-
161.6225
269.1060449
Val-Leu
Val-Leu
ME308392
-
-
40.0575
231.169111
Val-Met
Val-Met
ME308794
-
-
398.764
535.2089926
Val-Phe
Val-Phe
ME308809
-
-
93.171
567.2565849
Val-Pro
Val-Pro
ME308446
-
-
268.7075
253.0929965
Val-Ser
Val-Ser
ME308334
-
-
276.306
205.1166615
Val-Thr
Val-Thr
ME308364
-
-
52.899
219.1325128
Val-Trp
Val-Trp
ME308594
-
-
182.388
304.1640634
Val-Tyr
Val-Tyr
ME308475
-
-
39.582
263.1406891
Val-Val
Val-Val
ME308321
-
-
46.545
199.1428961
Verapamil
Verapamil
ME308775
2520
C07188
41.1635
477.2685516
Viloxazine
-
ME308607
-
-
307.435
314.0525156
Vitamin D2 (Ergocalciferol)
Vitamin D2
ME308748
5280793
C05441
31.813
397.3441562
Xanthurenic acid
Xanthurenic acid
ME308759
5699
C02470
205.162
428.1156141
Zidovudine
-
ME308639
-
C07210
367.7625
328.1308578
Zingerone
Zingerone
ME308469
-
-
360.457
261.052512
Zolmitriptan
-
ME308543
-
-
273.4185
287.1565991
Analysis: HILIC NEGATIVE ION MODE
Select
Metabolite Name
RefMet Name/Standardized Name*
WorkBenchMetabolite_ID
PubChemCompound_ID
Kegg Id
Retentiontime/index
m/z ratio
1,2-Diacetylhydrazine
-
ME308869
-
C16622
310.273
175.0693789
12-Oxo-2,3-dinor-10,15-phytodienoic acid
-
ME309075
-
-
180.4165
527.3452864
1,3-Dimethyluric acid
1,3-Dimethyluric acid
ME308891
70346
-
263.33
195.0538556
1,7-Dimethylxanthine
Paraxanthine
ME308874
4687
C13747
212.5315
180.0610693
1-Deoxy-D-xylulose 5-phosphate
1-Deoxy-D-xylulose 5-phosphate
ME308905
443201
C11437
283.85
213.0170787
1-Palmitoyl-2-linoleoyl-sn-glycero-3-phosphate
PA 16:0_18:2
ME309083
-
C00416
30.214
671.4811075
1-Palmitoyl Lysophosphatidic Acid
-
ME309052
-
-
222.093
409.2314903
2-Dehydro-3-deoxy-D-gluconate
Gluconolactone
ME308922
194024
C00204
217.1315
237.0664062
2-Deoxy-D-glucose 6-phosphate
2-Deoxy-D-glucose 6-phosphate
ME308931
-
-
345.991
244.032635
2'-Deoxy-D-ribose
2-Deoxy-ribose
ME308956
22833604
C01801
268.962
267.1112024
2'-Deoxyguanosine 5'-monophosphate (dGMP)
dGMP
ME309028
65059
C00362
430.2795
347.056358
2-Deoxyribose 5-phosphate
Deoxyribose 5-phosphate
ME308959
45934311
C00673
48.761
273.041496
2'-Deoxyuridine
Deoxyuridine
ME308980
13712
C00526
40.484
287.0843151
2-keto-D-Gluconic acid
2-Dehydro-D-gluconic acid
ME308938
-
C06473
240.9425
253.0619417
2-Oleoyl-1-stearoyl-sn-glycero-3-phosphoserine
PS 18:0/18:1
ME309084
-
-
124.156
848.5558801
2'-O-Methyluridine
2'-O-Methyluridine
ME308965
316991
-
45.557
279.0587529
2-Oxoadipic acid
Oxoadipic acid
ME308909
71
C00322
87.2555
219.0547891
2-Thiocytidine
-
ME308969
-
-
237.0375
280.0306147
3,4-Dihydroxybenzoate (Protocatechuic acid)
Protocatechuic acid
ME308862
72
C00230
42.447
170.0475332
3,4-Methylenedioxymethamphetamine (MDMA)
3,4-Methylenedioxymethamphetamine
ME308918
-
-
326.533
230.062784
3-Acetyl-11-keto-.beta.-boswellic acid
-
ME309071
-
-
183.904
512.3613213
3-Aminopropanesulphonic Acid
Cerebril
ME308895
-
-
44.898
198.0486777
3-Hydroxycapric acid
10-Hydroxydecanoic acid
ME308903
26612
-
135.903
209.1118892
3-Hydroxydodecanoic acid
3-Hydroxydodecanoic acid
ME308964
94216
-
30.3925
275.1820048
3-Hydroxyisovaleric acid
3-Hydroxyisovaleric acid
ME308851
69362
-
211.7565
155.0090349
3'-Hydroxyropivacaine
-
ME308981
-
-
79.679
289.1946022
3-Indolepropionic acid
3-Indolepropionic acid
ME308935
-
-
110.198
248.0921389
3-methylcytidine
3-Methylcytidine
ME308983
-
-
207.82
294.0440065
3-Methylphenylacetic acid
3-Methylphenylacetic acid
ME308858
12121
-
239.508
166.0844357
3-Methyluridine
3-Methyluridine
ME308961
316991
-
241.131
274.1066907
3'-O-methyladenosine
3'-O-Methyladenosine
ME308991
82530
-
161.7155
302.0812009
3'-O-methylguanosine
3'-O-Methylguanosine
ME309006
97217
-
246.553
318.0759879
3'-O-Methylinosine
-
ME308992
65095
-
354.049
303.0658257
3-Phosphoserine
Phosphoserine
ME308930
106
C01005
379.372
244.0254537
(4Z,7Z,10Z,13Z,16Z,19Z)-4,7,10,13,1 6,19-Docosahex...
DHA
ME309017
445580
C06429
121.6965
327.2334547
5,2'-O-dimethyluridine
-
ME308982
-
-
137.299
293.0687538
5,6,7,8-tetrahydro-2-Naphthoic Acid
-
ME309029
-
-
161.025
351.1609465
5-Aminoimidazole-4-carboxamide
5-Aminoimidazole-4-carboxamide
ME308843
-
-
316.3865
142.0766076
5'-CMP
CMP
ME309044
-
C00055
425.963
382.0708318
5-Hydroxyindoleacetate
5-Hydroxyindoleacetic acid
ME308885
1826
C05635
229.982
190.0524586
5-methoxytryptophan
5-Methoxytryptophan
ME308920
151018
-
287.041
233.0890749
5'-O-methylthymidine
-
ME308923
-
-
29.992
237.0913682
5-Oxo-ETE
5-Oxo-ETE
ME309031
-
-
35.021
355.1755712
5'-Phosphoribosyl-5-amino-4-imidazolecarboxamide (...
AICAR-P
ME309021
65110
C04677
292.9645
337.0608731
5(S),14(R)-Lipoxin B4
Lipoxin B4
ME309053
-
C06315
165.2515
411.2313318
5(S)-HETE
5S-HETE
ME309033
-
C04805
39.8485
357.1904842
6-Phospho-D-gluconate
6-Phosphogluconic acid
ME308941
-
C00345
60.569
257.0095941
7-Methylxanthine
7-Methylxanthine
ME308915
68374
C16353
253.864
225.0658547
Abscisic Acid (cis,trans)
Abscisic acid
ME308979
-
-
39.367
285.1110777
Acadesine (Drug)
Acadesine
ME308966
-
C04663
100.424
279.0701593
Acamprosate
Acamprosate
ME308877
71158
-
120.2425
181.0451633
Acetylcarnitine
CAR 2:0
ME308924
1
C02571
283.807
240.066187
Acetyl phosphate
Acetylphosphate
ME308842
186
C00227
368.524
138.9767983
Acetylvalerenolic acid
-
ME308960
-
-
39.7335
273.1468376
Acyclovir
Aciclovir
ME308975
-
C06810
245.9615
284.0962024
Adenylsuccinic acid
Adenylsuccinic acid
ME309064
440122
C03794
29.501
479.0892627
Adynerin
-
ME309073
-
-
172.453
515.2999411
Aklomide
-
ME308945
2075
-
60.606
259.006649
Allantoin
Allantoin
ME308866
204
C01551
381.433
174.0676424
alpha,alpha-Trehalose
Trehalose
ME309025
-
C01083
97.4915
341.1008691
Alpha-D-Glucose 1,6-bisphosphate
Glucose 1,6-bisphosphate
ME309023
82400
C01231
383.102
338.9965398
alpha-Guanidinoglutaric Acid
alpha-Guanidinoglutaric acid
ME308882
-
-
370.884
188.0651065
Ammelide
Ammelide
ME308844
-
-
175.7485
144.0518339
Amrinone
-
ME308898
0
-
239.935
203.0924669
APIIN
Apiin
ME309077
-
-
413.7075
563.1519089
Arachidic acid
Arachidic acid
ME309000
10467
C06425
40.471
311.3024136
Arachidonic Acid (peroxide free)
Arachidonic acid
ME308995
444899
C00219
143.01
303.2320963
Aristolochic Acid
Aristolochic acid
ME309024
-
-
29.466
340.0455023
Azacitidine
Azacitidine
ME308929
-
-
441.588
243.0739119
Bestatin
Bestatin
ME309040
-
-
268.37
367.1897411
Betaine aldehyde
Betaine aldehyde
ME308897
249
C00576
100.803
201.159286
Bufexamac
Bufexamac
ME308948
-
-
42.447
260.0719095
Butabarbital
Butabarbital
ME308904
-
-
82.478
212.1137824
CITIOLONE
-
ME309003
-
-
383.1905
317.0601419
Clozapine
Clozapine
ME309048
-
-
25.965
385.1530022
Cortisol 21-acetate
Cortisol 21-acetate
ME309055
-
-
43.668
420.2316088
Cyclohexylsulfamate
Cyclamic acid
ME308872
-
-
426.013
179.0642813
Cytidine 2',3'-cyclic phosphate
2',3' cyclic CMP
ME308996
53481030
-
269.807
304.0277657
Cytidine 5'-diphosphocholine (CDP-choline)
Cytidine 5'-diphosphocholine
ME309066
13804
C00307
207.138
488.0969129
Cytidine 5'-monophosphate (CMP)
CMP
ME309014
6131
C00055
424.6935
323.04437
Cytosine
Cytosine
ME308863
597
C00380
368.337
170.0536534
Dantrolene
Dantrolene
ME308984
-
-
104.7385
295.0535308
D-Arabinono-1,4-lactone
D-Arabinono-1,4-lactone
ME308985
-
-
227.4485
295.0744642
D(-)-beta-hydroxy butyric acid
3-Hydroxybutyric acid
ME308854
-
-
373.638
163.057421
D-Biotin
Biotin
ME308952
171548
C00120
230
265.0626244
delta-Tocotrienol
d-Tocotrienol
ME309054
-
C14156
33.0595
417.2856081
Deoxyguanosine
Deoxyguanosine
ME308974
187790
C00330
313.885
283.1189876
Deoxyinosine
Deoxyinosine
ME308937
65058
C05512
274.7495
251.0728759
Deoxythymidine 5'-phosphate (dTMP)
dTMP
ME309010
9700
C00364
361.822
321.0513217
Dethiobiotin
Dethiobiotin
ME308906
445027
C01909
39.261
213.1230812
D-Fructose
Fructose
ME309035
439709
C00095
165.451
359.128453
D-Glucarate
Glucaric acid
ME308916
607
C00818
316.843
226.054975
D-Glucosamine 1-phosphate (Glucosamine-1P)
Glucosamine 1-phosphate
ME308962
440272
C06156
346.846
275.0670985
D-glucosamine 6-phosphate
Glucosamine 6-phosphate
ME308968
439217
C00352
320.141
280.0203439
D-Glucose 6-phosphate
Glucose 6-phosphate
ME308926
5958
C00092
30.166
241.014467
D-Glucuronate
Glucuronic acid
ME309049
444791
C00191
334.6065
387.0803368
Dihydrothymine
Dihydrothymine
ME308940
93556
C00906
253.085
255.1140139
Dihydrouracil
Dihydrouracil
ME308838
649
C00429
47.4985
130.0644527
DL-Vanillylmandelic acid
D-Serine
ME308908
71077
C05584
45.638
219.0261393
D-Mannitol 1-phosphate
Mannitol 1-phosphate
ME309011
130418
C00644
52.5375
321.1638397
D-Mannose-6-phosphate
Mannose 6-phosphate
ME308947
439198
C00275
213.395
259.0254887
Dopamine
Dopamine
ME308861
681
C03758
34.9095
169.094671
D-Quinovose
Quinovose
ME308876
-
C02522
342.812
180.0859189
D-Ribose 1,5-bisphosphate
Ribose 1,5-bisphosphate
ME309019
9947823
C01151
379.3745
331.06263
dTMP
dTMP
ME309022
-
C00364
378.888
338.0818268
Enalaprilat
-
ME309018
-
-
213.997
329.1457603
Estradiol Cypionate
Estradiol cypionate
ME309051
-
-
42.9105
395.2660673
Ethosuximide
Ethosuximide
ME308972
3291
C07505
137.19
281.1529199
Ethynodiol diacetate
-
ME309039
-
-
106.621
365.2143106
Evodiamine
Evodiamine
ME309079
-
-
384.317
605.2622195
Flavin mononucleotide (FMN)
FMN
ME309067
643976
C00061
114.586
493.0651957
Floxuridine
Floxuridine
ME308973
-
C11736
117.924
283.0200237
Fludrocortisone acetate
Fludrocortisone acetate
ME309056
-
C00762
41.142
422.2205788
Fluorouracil
Fluorouracil
ME308837
-
C07649
68.036
130.0202051
Fructose 1-phosphate
Fructose 1-phosphate
ME308946
10400369
C01094
314.7195
259.0186948
Furegrelate
-
ME309069
-
-
460.201
505.1430003
Gamma-Glutamylcysteine
gamma-Glutamylcysteine
ME308936
123938
C00669
112.748
249.0611736
gamma-L-Glutamyl-L-glutamic acid
gamma-Glutamylglutamic acid
ME309020
92865
C05282
378.347
335.107391
gamma-L-Glutamyl-L-phenylalanine
gamma-Glutamylphenylalanine
ME308963
558649
-
442.656
275.1016937
gamma-Tocopherol
gamma-Tocopherol
ME309060
-
C02483
36.3125
453.3074344
Glucosamine
Glucosamine
ME308892
439213
C00329
210.4515
195.0964316
Glycerol 3-phosphate
sn-Glycero-3-phosphate
ME308849
439162
C00093
350.19
152.9931146
Glycerophosphocholine
sn-Glycero-3-phosphocholine
ME308942
71920
C00670
309.8515
257.1014312
Glycocholic acid
Glycocholic acid
ME309074
23617285
C01921
181.3585
524.3254688
Glycyrrhizic Acid
-
ME309085
-
-
316.4895
881.398067
Guanidoacetic acid
Guanidoacetic acid
ME308921
763
C00581
332.716
233.0975939
Guanosine
Guanosine
ME309026
6802
C00387
283.179
342.1140118
Hesperetin
Hesperetin
ME309037
-
-
293.4865
361.0915174
Hexadecanedioic acid
Hexadecanedioic acid
ME309015
-
-
28.551
323.1699143
Hexanoylglycine
Hexanoylglycine
ME308890
99463
-
360.0905
194.084278
Hieracin
-
ME308990
-
-
154.6015
302.0382188
hydrocortisone 21-acetate
Cortisol 21-acetate
ME309059
5754
-
297.293
425.186537
Inosine
Inosine
ME308955
6021
C00294
285.1025
267.0669321
IS
-
ME308894
-
-
223.482
198.0422935
Jasmonic acid
Jasmonic acid
ME308934
5281166
C08491
446.14
247.0688179
Kaempferol
Kaempferol
ME308978
5280863
C05903
72.531
285.0421886
Ketanserin
Ketanserin
ME309061
-
-
49.9835
454.1871514
L-Arabinono-1,4-lactone
-
ME308881
-
C01114
136.545
185.0653253
L-Arabitol
L-Arabitol
ME308884
439255
C00532
94.315
189.0970146
L-Arginine
Arginine
ME308864
6322
C00062
270.441
173.1011312
L-Aspartyl-L-phenylalanine
Asp-Phe
ME308967
93078
-
400.988
279.1048618
L-Citrulline
Citrulline
ME308867
9750
C00327
395.468
174.0851537
L-Cysteine
Cysteine
ME308840
5862
C00097
160.177
137.041922
L-Cystine
Cystine
ME308987
67678
C00491
683.486
299.0407145
L-dihydroorotate
Dihydroorotic acid
ME308865
439216
C00337
377.4305
174.0495074
Lecanoric acid
Lecanoric acid
ME309004
-
-
474.198
317.0595777
Leukotriene C4
LTC4
ME309080
-
C02166
137.964
624.2982805
L-Fucose 1-phosphate
Fucose 1-phosphate
ME308928
-
C02985
308.566
243.0294661
L-Fucose-1-phosphate
Fucose 1-phosphate
ME308914
439871
C02985
422.774
225.0179612
L-Galactono-1,4-lactone
L-Galactono-1,4-lactone
ME308870
151006
C01115
92.465
177.1365786
L-Glutamine
Glutamine
ME308879
5961
C00064
160.672
183.0146155
L-Gulonic gamma-lactone
L-Gulonolactone
ME308871
439373
C01040
290.365
178.0521534
L-homocysteic acid
Homocysteic acid
ME308880
177491
C16511
367.686
183.016238
L-Iditol
L-Iditol
ME309038
5460044
C01507
315.34
363.1578381
L-Methionine
Methionine
ME308846
6137
C00073
151.3705
149.0521611
L-Phenylalanine
Phenylalanine
ME308856
6140
C00079
284.8945
164.0722968
L-Tyrosine
Tyrosine
ME308875
6057
C00082
375.6
180.0680551
Maleamic acid
Maleamate
ME308833
-
C01596
219.2125
115.0255815
Malonic acid
Malonic acid
ME308899
867
C00383
380.531
207.0107665
Maltitol
Maltitol
ME309036
-
-
290.957
360.1465339
Mevalonic acid
Mevalonic acid
ME308986
449
C00418
29.933
295.1367362
MK 571
Verlukast
ME309076
-
-
474.5175
530.1249299
N1-Methyl-2-pyridone-5-carboxamide
N1-Methyl-2-pyridone-5-carboxamide
ME308848
69698
C05842
212.918
151.0516041
N1-Methyl-4-pyridone-3-carboxamide
N1-Methyl-4-pyridone-3-carboxamide
ME308883
644260
-
308.931
189.0971514
N2-Acetyl-L-ornithine
N-Acetylornithine
ME308868
439232
C00437
289.1785
174.1042396
N4-Acetylcytidine
N4-Acetylcytidine
ME308976
107461
-
264.7535
284.0956867
N-Acetylaspartate
N-Acetylaspartic acid
ME308888
-
C01042
347.985
191.0647713
N-Acetylaspartylglutamate (NAAG)
N-Acetyl-Asp-Glu
ME309009
5255
C12270
371.0775
320.1075921
N-Acetyl-D-glucosamine
N-Acetylglucosamine
ME308912
439174
C00140
55.6895
221.0925945
N-Acetyl-D-Glucosamine 6-Phosphate
N-Acetyl-glucosamine 6-phosphate
ME309005
440996
C00357
350.995
317.0702231
N-Acetyl-D-lactosamine
N-Acetyllactosamine
ME309046
-
-
444.095
383.1369748
N-Acetylglucosamine 1-phosphate
N-Acetylglucosamine 1-phosphate
ME308988
445675
-
377.309
300.0539738
N-Acetyl-L-alanine
N-Acetylalanine
ME308860
88064
-
347.471
168.0045142
N-Acetyl-L-Histidine
N-Acetylhistidine
ME308907
-
-
70.0565
218.0591906
N-Acetyl-L-phenylalanine
N-Acetylphenylalanine
ME308932
74839
C03519
131.447
244.0390205
N-Acetylmannosamine
N-Acetyl-mannosamine
ME308970
11096158
C00645
217.5785
280.1106204
N-Acetylneuraminic acid
N-Acetylneuraminic acid
ME309016
445063
C00270
430.6445
325.1322826
(-)-Naringenin
Naringenin
ME308958
-
C00509
84.644
272.072932
Naringin
Naringin
ME309078
442428
C09789
300.8455
579.1731505
N-carbamoyl-L-aspartate
Carbamoylaspartate
ME308889
93072
C00438
373.631
192.0605249
Nicotinamide
Niacinamide
ME308878
936
C00153
179.2765
181.0588256
Nicotinamide adenine dinucleotide (NAD)
NAD
ME309081
5893
C00003
425.22
663.122159
Nicotinamide ribotide
Nicotinamide ribotide
ME309041
14180
C00455
331.9925
370.9993255
Nicotinate
Nicotinic acid
ME308834
938
C00253
206.607
123.0332211
Nicotinuric acid
Nicotinuric acid
ME308893
68499
C05380
268.986
196.0706687
Nomilin
Nomilin
ME309068
-
-
348.777
495.2073624
O-Acetyl-L-serine
O-Acetylserine
ME308845
99478
C00979
108.799
147.0515746
O-Phospho-L-threonine
O-Phosphothreonine
ME308873
3246323
C12147
84.235
180.0054134
O-Phosphotyrosine
O-Phosphotyrosine
ME309008
30819
C06501
361.842
320.0497046
Orotate
Orotic acid
ME308998
967
C00295
373.0115
311.0327832
O-Succinyl-L-homoserine
o-Succinylhomoserine
ME308910
-
C01118
402.483
219.072613
Oxazepam
Oxazepam
ME309012
-
-
154.722
323.0037502
Oxoadipic acid
Oxoadipic acid
ME309007
-
-
350.9825
319.0677602
Palmitic acid
Palmitic acid
ME309001
985
C00249
41.033
315.2482866
Pentadecanoic Acid
Pentadecylic acid
ME308989
13849
C16537
152.9795
301.2321407
Pentobarbital
Pentobarbital
ME308917
-
-
101.131
226.1298877
Perseitol
Perseitol
ME309057
-
-
369.711
423.1819519
Phenacemide
-
ME309030
-
-
172.552
355.1445657
Phenethyl Caffeiate
-
ME308997
-
-
478.48
305.0837281
Phenylpropionylglycine
Phenylpropionylglycine
ME308954
152323
-
378.833
266.1005409
Phenylpyruvate
Phenylpyruvic acid
ME308855
997
C00166
43.819
164.0504323
Pioglitazone
Pioglitazone
ME309042
-
-
43.0705
372.1298012
Pravastatin
Pravastatin
ME309058
-
C01844
68.869
423.2397317
Primidone
-
ME308939
-
-
214.683
255.0488685
Prunasin
Prunasin
ME308999
-
-
292.243
311.1249772
Pyrethrosin
-
ME309027
-
-
156.8245
343.096171
Pyridoxal 5'-phosphate
Pyridoxal 5'-phosphate
ME308950
1051
C00018
290.568
263.0378815
Pyridoxal (Vitamin B6)
Pyridoxal
ME308857
1050
C00250
30.362
166.0491222
Quetiapine
Quetiapine
ME309045
-
-
375.913
382.1536287
Quinate
Quinic acid
ME308886
-
C00296
229.963
191.0536857
Repaglinide
Repaglinide
ME309070
-
-
46.1585
511.2875315
Ribothymidine
Ribothymidine
ME308944
445408
-
181.925
258.0856579
Ricinoleic acid
Ricinoleic acid
ME309034
-
-
311.785
357.267323
(R)-mevalonic acid 5-Phosphate
5-Phosphomevalonic acid
ME308953
439400
C01107
39.693
265.0881183
Rosiglitazone
Rosiglitazone
ME309043
77999
-
42.92
373.1330188
S-Adenosyl-L-homocysteine
S-Adenosylhomocysteine
ME309047
439155
C00021
382.179
384.1170532
Salicylamide
Salicylamide
ME308841
-
-
268.4655
137.0497491
Salicylic acid
Salicylic acid
ME308852
338
C00805
44.929
159.0090024
Salidroside
4-Hydroxyphenyl-2-ethylglucopyranoside
ME308971
-
C06046
373.708
281.1014282
S-Allyl-L-cysteine
S-Allylcysteine
ME308853
-
-
290.9205
161.0528363
Salsalate
-
ME308943
-
-
41.731
258.0561649
Scopoletin
Scopoletin
ME308901
5280460
C01752
67.111
208.0573285
Sedoheptulose
Glucoheptulose
ME308887
-
-
49.862
191.059052
Sildenafil
Sildenafil
ME309062
-
-
172.9165
473.1956181
Silybin
-
ME309065
-
-
29.642
481.1041928
Sinapyl alcohol
Sinapyl alcohol
ME308902
5280507
C02325
199.65
209.0777585
S-Methyl-5'-thioadenosine
5'-Methylthioadenosine
ME309032
439176
C00170
161.138
356.1076593
S-Nitroso-L-glutathione
-
ME309082
104858
-
427.77
671.12998
Statil
-
ME309050
-
-
77.669
389.0017393
Stavudine
Stavudine
ME308949
18283
C07312
34.9185
261.0318734
Suberylglycine
Suberylglycine
ME308919
6453952
-
267.697
231.1100037
Sulfamethizole
Sulfamethizole
ME308957
-
-
69.033
270.0241472
Sulfanilamide
Sulfanilamide
ME308850
5333
C07458
178.7075
153.0123211
Taurine
Taurine
ME308835
1123
C00245
280.052
125.0158557
Taurocholate
Taurocholic acid
ME309072
440567
C05122
172.6315
514.2961362
(+-)-Taxifolin
Taxifolin
ME308977
-
-
102.618
285.0422345
Temazepam
Temazepam
ME309002
-
-
168.7675
316.0914462
Tetrahydrobiopterin
Sapropterin
ME308925
1125
C00272
206.584
240.1103007
Theobromine
Theobromine
ME308896
5429
C07480
171.783
201.035873
Thiamine
Thiamine
ME308933
1130
C00378
41.761
246.0922857
Thymidine
Thymidine
ME308927
5789
C00214
50.795
241.0844439
Thymine
Thymine
ME308836
1135
C00178
75.764
126.0443939
Tiopronin
-
ME308913
-
C12876
333.3745
222.0462897
trans-cinnamate
trans-Cinnamic acid
ME308900
444539
C00423
286.3925
207.061157
Uracil
Uracil
ME308839
1174
C00106
107.617
133.0019251
Uric acid
Uric acid
ME308859
1175
C00366
234.9215
167.020841
Uridine
Uridine
ME308993
6029
C00299
161.793
303.0832065
Uridine 5'-monophosphate (UMP)
UMP
ME309013
6030
C00105
383.108
323.0302915
Vanylglycol
Vanylglycol
ME308911
10805
-
24.708
221.0207716
Vindoline
-
ME309063
-
-
317.9175
477.1934065
Xanthine
Xanthine
ME308847
1188
C00385
287.835
151.0248225
Xanthosine
Xanthosine
ME308951
64959
C01762
112.8635
265.0539353
Xylitol
Xylitol
ME308994
6912
C00379
229.869
303.1342159
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