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Return to study ST002028 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
1,1-Dimethyl-4-phenylpiperazinium
-
ME470931
5310977
No result
-
191.1542
1-(1-Hexadecenyl)-glycero-3-phosphocholine
-
ME470647
10917802
No result
-
480.3444
1-(1-Octadecenyl)-glycero-3-phosphocholine
-
ME470648
24779527
No result
-
508.3752
12,13-Dihydroxy-9-octadecenoic acid
-
ME470663
25320868
No result
-
315.2529
1,4-Cyclohexanedicarboxylic acid
-
ME470932
14106
No result
-
173.0807
1,7-Dimethyluric acid
1,7-Dimethyluric acid
ME470662
91611
C16356
-
197.0669
1-Acetyl-4-piperidinamine
-
ME470649
4962477
No result
-
143.1177
1-Acetylimidazole
N-Acetylimidazole
ME470928
17174
C02560
-
111.0552
1-Ethyl-4-piperidinylamine
-
ME470650
3734990
No result
-
129.1384
1-Hexadecylamine
1-Hexadecylamine
ME470652
8926
No result
-
242.2843
1-Hexadecyl-glycero-3-phosphocholine
LPC O-16:0
ME470651
162126
No result
-
482.3601
1-Hexadecylpyridinium cation
-
ME470653
2683
D07666
-
304.2994
1-Methyladenosine
1-Methyladenosine
ME470929
27476
C02494
-
282.1195
1-Methylhistamine
1-Methylhistamine
ME470654
3614
C05127
-
126.1024
1-Methylhydantoin
N-Methylhydantoin
ME470655
69217
C02565
-
115.0502
1-Methylnicotinamide
1-Methyl nicotinamide
ME470930
457
C02918
-
137.0709
1-Methylnicotinium cation
-
ME470646
185343
No result
-
177.1386
1-Methyltryptophan
1-Methyltryptophan
ME470571
676159
No result
-
219.1127
1-Myristoyl-2-hydroxy-glycero-3-phosphoethanolamin...
-
ME470656
86583448
No result
-
426.2613
1-Myristoyl-glycero-3-phosphocholine
LPC 14:0
ME470657
460604
No result
-
468.3083
1-Oleoyl-alpha-lysophosphatidic acid
-
ME470658
5311263
No result
-
437.2656
1-Oleoyl-glycero-3-phosphocholine
-
ME470659
16081932
No result
-
522.355
1-Palmitoyl-2-hydroxy-glycero-3-phosphoethanolamin...
-
ME470660
58177710
No result
-
454.2924
1-Stearoyl-2-hydroxy-glycero-3-phosphocholine
LPC 18:0/0:0
ME470661
497299
No result
-
524.3704
2,3,5-Trimethylpyrazine
-
ME470665
26808
No result
-
123.0915
2,8-Quinolinediol
Quinoline-2,8-diol
ME470935
97250
C06342
-
162.0548
2-Amino-3-methoxybenzoic acid
3-Methoxyanthranilic acid
ME470933
255720
C05831
-
168.0654
2-Deoxyadenosine
Deoxyadenosine
ME470666
13730
C00559
-
252.1089
2-Deoxyguanosine
Deoxyguanosine
ME470572
187790
C00330
-
268.1039
2-Hydroxyquinoline
2-Hydroxyquinoline
ME470934
69141
C06343
-
146.0597
2-Methyl-N-(4-Methylphenyl)alanine
-
ME470664
17605967
No result
-
194.1174
2-O-Methyladenosine
2'-O-Methyladenosine
ME470667
102213
No result
-
282.1197
2-O-Methyluridine
2'-O-Methyluridine
ME470936
102212
No result
-
259.092
(2R)-3-Hydroxyisovaleroylcarnitine
CAR 4:0;OH,Me
ME470645
-
No result
-
262.1649
3-(1-Pyrazolyl)-alanine
3-(1-Pyrazolyl)-alanine
ME470937
151491
C01162
-
156.0766
3-Amino-2,3-dihydrobenzoic acid
-
ME470668
25244048
C12110
-
140.0704
3-beta-Hydroxymevastatin
-
ME470675
14402193
No result
-
447.2351
3-Guanidinopropionic acid
3-Guanidinopropanoic acid
ME470938
25200496
C03065
-
132.0767
3-Hydroxyanthranilic acid
3-Hydroxyanthranilic acid
ME470939
86
C00632
-
154.0496
3-Hydroxybutyrylcarnitine
CAR 4:0;3OH
ME470669
90659885
No result
-
248.1491
3-Hydroxyhexadecanoylcarnitine
CAR 16:0;3OH
ME470670
126456228
No result
-
416.3364
3-Hydroxymorphinan
-
ME470671
57257887
No result
-
244.1695
3-Hydroxyoleylcarnitine
-
ME470672
131668118
No result
-
442.3526
3-Methylcrotonylglycine
3-Methylcrotonylglycine
ME470673
169485
No result
-
158.0809
3-Methylglutarylcarnitine
CAR DC5:0;3Me
ME470674
128145
No result
-
290.1596
3-Methylhistidine
3-Methylhistidine
ME470573
64969
C01152
-
170.0922
3-Methylthiopropylamine
3-Methylthiopropylamine
ME470940
77743
C03354
-
106.0683
3-O-Methylcytidine
-
ME470942
18651938
No result
-
258.109
3-O-Methylinosine
-
ME470943
135121872
No result
-
283.1032
3-Pyridinemthanol
-
ME470941
7510
D05158
-
110.0599
4,5,7-Trihydroxyisoflavone
Genistein
ME470946
5280961
C06563
-
271.0598
4,6-Diamino-5-formamidopyrimidine
FAPy-adenine
ME470680
114926
C06502
-
154.0722
4-Acetamidobutyric acid
4-Acetamidobutanoic acid
ME470944
18189
C02946
-
146.0812
4-Aminomethylcyclohexanecarboxylic acid
-
ME470945
1549136
No result
-
158.1176
4-Aminophenol
4-Aminophenol
ME470676
13283155
C02372
-
110.0599
4-Cholestenone
Cholestenone
ME470677
91477
C00599
-
385.3464
4-Guanidinobutyric acid
4-Guanidinobutanoic acid
ME470574
25200642
C01035
-
146.0925
4-Hydroxymandelonitrile
4-Hydroxymandelonitrile
ME470575
166768
C00650
-
150.0548
4-Hydroxyomeprazole sulfide
-
ME470678
54055259
No result
-
316.1112
4-Methyl-5-thiazoleethanol
5-(2-Hydroxyethyl)-4-methylthiazole
ME470576
1136
C04294
-
144.0476
4-Pyridinecarboxylic acid
Isonicotinic acid
ME470679
5922
C07446
-
124.0391
5-Amino-1-pentanol
-
ME470681
75634
No result
-
104.1069
5-Aminosalicylic acid
-
ME470947
4075
D00377
-
154.0497
5-Demethylnobiletin
-
ME470682
358832
No result
-
389.1226
5-Hydroxytryptophan
5-Hydroxy-tryptophan
ME470948
144
C01017
-
221.0918
5-Methyl-5,6-Dihydrouracil
Dihydrothymine
ME470683
93556
C00906
-
129.0657
5-O-Desmethylomeprazole sulfide
-
ME470684
46781186
No result
-
316.1114
5'-S-Methyl-5'-thioadenosine
5'-Methylthioadenosine
ME470685
439176
C00170
-
298.0965
6-Biopterin
Biopterin
ME470686
445040
No result
-
238.0933
7,8-Dihydrobiopterin
7,8-Dihydrobiopterin
ME470950
252
No result
-
240.109
7-Hydroxyquetiapine
-
ME470687
132203
No result
-
400.1689
7-Methylguanosine
7-Methylguanosine
ME470949
445404
C20674
-
298.1144
Abietic acid
Abietic acid
ME470951
10569
C06087
-
303.2316
Acetaminophen
Acetaminophen
ME470577
1983
C06804
-
152.0703
Acetylcarnitine
CAR 2:0
ME470578
439756
C02571
-
204.1228
Actrarit
-
ME470952
2018
D01395
-
194.081
Acyclovir
Aciclovir
ME470688
2022
C06810
-
226.0931
Adenosine
Adenosine
ME470689
60961
C00212
-
268.1039
Adrenosterone
Adrenosterone
ME470953
223997
C05285
-
301.1801
Agmatine
Agmatine
ME470579
199
C00179
-
131.1291
Ala-Ala-Arg
Ala-Ala-Arg
ME470690
14236209
No result
-
317.1932
Ala-Ala-Lys
Ala-Ala-Lys
ME470691
18218264
No result
-
289.187
Ala-Gln
Ala-Gln
ME470692
123935
No result
-
218.1135
Ala-Glu-Arg
Ala-Glu-Arg
ME471009
18218344
No result
-
375.1988
Ala-Gly-Lys
Ala-Gly-Lys
ME470693
14299170
No result
-
275.1711
Ala-Ile
Ala-Ile
ME470580
7408078
No result
-
203.139
Ala-Ile-Arg
Ala-Ile-Arg
ME471010
18218409
No result
-
359.2401
Ala-Ile-Lys
Ala-Ile-Lys
ME471011
18218418
No result
-
331.2339
Ala-Leu-Lys
Ala-Leu-Lys
ME471012
18411393
No result
-
331.2341
Ala-Met-Arg
Ala-Met-Arg
ME470694
18218461
No result
-
377.1963
Alanine
Alanine
ME470581
5950
C00041
-
90.0549
Ala-Pro-Arg
Ala-Pro-Arg
ME470695
18218492
No result
-
343.2086
Ala-Pro-Lys
Ala-Pro-Lys
ME471013
18411394
No result
-
315.2023
Ala-Thr
Ala-Thr
ME470696
6427004
No result
-
191.1026
Ala-Tyr
Ala-Tyr
ME470697
13017548
No result
-
253.1183
Albuterol
Albuterol
ME470954
2083
D02147
-
240.1594
alpha-Bisabolol
alpha-Bisabolol
ME471014
10586
No result
-
205.1949
alpha-Hydroxymetoprolol
alpha-Hydroxymetoprolol
ME470698
114962
No result
-
284.1857
alpha-Tocopheryl acetate
-
ME470699
58078320
No result
-
473.3991
Amitriptyline
Amitriptyline
ME470700
2160
C06824
-
278.1903
Amlexanox A
Amlexanox
ME470955
2161
D01828
-
299.1029
Amlodipine
-
ME470701
2162
C06825
-
409.1521
Amphetamine
Dextroamphetamine
ME470956
5826
C07884
-
136.112
Anserine
Anserine
ME470582
112072
C01262
-
241.1291
Arg-Ala
Arg-Ala
ME470702
7020333
No result
-
246.156
Arg-Gln
Arg-Gln
ME470703
-
No result
-
303.1774
Arginine
Arginine
ME470583
28782
C00062
-
175.1189
Arg-Leu
Arg-Leu
ME471015
-
No result
-
288.2031
Arg-Met
Arg-Met
ME471016
7019989
No result
-
306.1594
Arg-Phe
Arg-Phe
ME470704
150964
No result
-
322.1873
Arg-Pro
Arg-Pro
ME471017
151003
No result
-
272.1716
Arg-Trp
Arg-Trp
ME470705
7009653
No result
-
361.198
Arg-Val
Arg-Val
ME470706
6992654
No result
-
274.1874
Asn-Ala
Asn-Ala
ME470707
9942455
No result
-
204.0978
Asn-Ala-Lys
Asn-Ala-Lys
ME470708
18218979
No result
-
332.1928
Asn-Arg
Asn-Arg
ME470709
14299174
No result
-
289.1618
Asn-His
Asn-His
ME470710
9835143
No result
-
270.1196
Asn-Ile-Lys
Asn-Ile-Lys
ME471018
18219156
No result
-
374.2398
Asn-Leu-Arg
Asn-Leu-Arg
ME471019
18219166
No result
-
402.2457
Asn-Lys
Asn-Lys
ME470711
16122521
No result
-
261.1557
Asn-Pro
Asn-Pro
ME470712
9920984
No result
-
230.1135
Asn-Thr
Asn-Thr
ME470713
54383224
No result
-
234.1084
Asn-Val
Asn-Val
ME470714
7019992
No result
-
232.1293
Asn-Val-Lys
Asn-Val-Lys
ME470715
18219352
No result
-
360.2239
Asp-Arg
Asp-Arg
ME470716
16122509
No result
-
290.1457
Asp-Leu
Asp-Leu
ME471020
6992367
No result
-
247.1285
Asp-phe
Asp-Phe
ME470584
93078
No result
-
281.1132
Atenolol
Atenolol
ME470717
2249
D00235
-
267.17
Atorvastatin
Atorvastatin
ME470718
60823
C06834
-
559.2601
Atrazine-desisopropyl-2-hydroxy
-
ME470719
81748
C06557
-
156.0879
Benazepril
Benazepril
ME470957
40466887
C06843
-
425.2066
Benzoylecgonine
Benzoyl ecgonine
ME470720
12787958
No result
-
290.1383
Berberine cation
Berberine
ME470721
2353
C00757
-
336.1229
beta-alanine methyl ester
-
ME470642
192794
No result
-
104.0704
Betaine
Betaine
ME470585
247
C00719
-
118.086
beta-Nicotinamide adenine dinucleotide
NAD
ME470643
127255362
No result
-
664.1167
Betonicine
Betonicine
ME470722
-
No result
-
160.0967
Biliverdin
Biliverdin
ME470586
5280353
No result
-
583.2545
Biotin
Biotin
ME470723
253
No result
-
245.0952
Buspirone
Buspirone
ME470724
2477
C06861
-
386.2546
Butyrylcarnitine
CAR 4:0
ME471008
213144
No result
-
232.1542
Cadaverine
Cadaverine
ME470587
273
C01672
-
103.1228
Caffeine
Caffeine
ME470588
2519
C07481
-
195.0875
Capsaicin
Capsaicin
ME470589
1548943
C06866
-
306.2062
Carnitine
Carnitine
ME470590
10917
C00318
-
162.1122
Carnosine
Carnosine
ME470591
439224
C00386
-
227.1137
Carnosol
Carnosol
ME470725
2579
No result
-
331.19
cGMP
3',5' cyclic GMP
ME470958
24316
C00942
-
346.0545
Choline
Choline
ME470592
305
C00114
-
104.1068
Cimetidine
Cimetidine
ME470726
2756
C06952
-
253.1226
Cimetidine amide
-
ME470727
131743
No result
-
271.1334
Citrulline
Citrulline
ME470593
6992098
C00327
-
176.1028
Cocaethylene
-
ME470959
644006
No result
-
318.1701
Corticosterone
Corticosterone
ME470960
5753
C02140
-
347.2213
Cortisol
Cortisol
ME470961
5754
C00735
-
363.2159
Cotinine
Cotinine
ME470728
408
No result
-
177.1019
Creatine
Creatine
ME470594
586
C00300
-
132.0766
Creatinine
Creatinine
ME470595
588
C00791
-
114.066
Curcumin
Curcumin
ME470729
969516
No result
-
369.133
Cyclobenzaprine
Cyclobenzaprine
ME470730
2895
C06931
-
276.1747
Cyclocytidine
Ancitabine
ME470731
25051
No result
-
226.0821
Cysteic acid
Cysteic acid
ME470596
72886
C00506
-
170.0117
Daidzein
Daidzein
ME470597
5281708
C10208
-
255.0651
dAMP
dAMP
ME470962
12599
C00360
-
332.0752
Decanoyl-L-Carnitine
CAR 10:0
ME470732
10245190
No result
-
316.2484
delta-Hydroxylysine
5-Hydroxylysine
ME470963
3032849
C16741
-
163.1074
Demethoxycurcumin
-
ME470733
5469424
No result
-
339.1225
Desacetyldiltiazem
-
ME470734
91638
No result
-
373.158
Desloratadine
Desloratadine
ME470735
124087
D03693
-
311.1306
Desmethylcitalopram
N-Desmethylcitalopram
ME470736
162180
C16608
-
311.155
Dexpanthenol
Pantothenol
ME470737
4678
D03726
-
206.1385
Disaccharide 1
-
ME471021
441422
C08240
-
360.1497
Disaccharide 2
-
ME471022
10871590
No result
-
360.1497
Disulfiram
Disulfiram
ME470598
3117
C01692
-
297.0583
DL-alpha-Aminopimelic acid
-
ME470738
101122
No result
-
176.0917
DL-Threonine methyl ester
-
ME470739
324007
No result
-
134.0811
DMSO
Dimethyl sulfoxide
ME470599
679
C11143
-
79.0211
Dopamine
Dopamine
ME470964
681
C03758
-
154.0861
Doxylamine
Doxylamine
ME470740
3162
D07878
-
271.1805
dTMP
dTMP
ME470965
9700
C00364
-
323.0637
Ecgonine
Ecgonine
ME470600
40473221
No result
-
186.1123
Ectoine
Ectoine
ME470741
126041
C06231
-
143.0814
EDDP
-
ME470601
5378015
No result
-
278.1901
Epoxy-octadecenoic acid
-
ME470742
12097313
No result
-
297.2424
Ethanolamine
Ethanolamine
ME470966
700
C00189
-
62.0602
Ethyldiethanolamine
-
ME470743
13418631
No result
-
134.1175
Ethylenediaminetetraacetic acid
Edetic acid
ME470744
5232305
C00284
-
293.0978
Fexofenadine
Fexofenadine
ME470745
3348
C06999
-
502.2947
Folinic acid
N5-Formyl-THF
ME470967
6006
No result
-
474.1733
Gabapentin
Gabapentin
ME470746
3446
D00332
-
172.1329
galacto-N-biose
-
ME471023
441248
C07278
-
406.1317
Galactosamine
Galactosamine
ME470968
24154
C02262
-
180.0866
gamma-Glutamylleucine
gamma-Glutamylleucine
ME470969
151023
No result
-
261.1447
gamma-Glutamylmethionine
gamma-Glutamylmethionine
ME470602
7009567
No result
-
279.10104
Glipizide
Glipizide
ME470747
3478
D00335
-
446.1855
Gln-Ala
Gln-Ala
ME470748
9813211
No result
-
218.1134
Gln-Asn
Gln-Asn
ME470749
14767397
No result
-
261.1192
Gln-Gln
Gln-Gln
ME470750
-
No result
-
275.1349
Gln-Glu
Gln-Glu
ME470751
-
No result
-
276.1189
Gln-Gly
Gln-Gly
ME470752
6992690
No result
-
204.0977
Gln-Leu-Arg
Gln-Leu-Arg
ME471024
18220699
No result
-
416.2612
Gln-Met
Gln-Met
ME470753
54307034
No result
-
278.117
Gln-Pro
Gln-Pro
ME470754
11736661
No result
-
244.1292
Gln-Ser
Gln-Ser
ME470755
54357903
No result
-
234.1084
Gln-Thr
Gln-Thr
ME470756
53877870
No result
-
248.1242
Gln-Tyr
Gln-Tyr
ME470757
9972600
No result
-
310.14
Gln-Val
Gln-Val
ME470758
57262456
No result
-
246.1449
Gln-Val-Lys
Gln-Val-Lys
ME470759
18220885
No result
-
374.2396
Glu-Ala
Glu-Ala
ME470760
6992506
No result
-
219.0974
Glu-Ala-Lys
Glu-Ala-Lys
ME470761
18220141
No result
-
347.1926
Glu-Arg
Glu-Arg
ME470762
9796450
No result
-
304.1616
Glu-Gln
Glu-Gln
ME470970
19922802
No result
-
276.1189
Glu-Ile
Glu-Ile
ME470763
9813855
No result
-
261.1445
Glu-Ile-Arg
Glu-Ile-Arg
ME471025
18220297
No result
-
417.2458
Glu-Pro
Glu-Pro
ME470764
11218768
No result
-
245.113
Glu-Thr
Glu-Thr
ME470603
6998031
No result
-
249.1079
Glu-Val
Glu-Val
ME470765
6992567
No result
-
247.1287
Gly-Ala-Arg
Gly-Ala-Arg
ME470766
18220894
No result
-
303.1771
Gly-Arg
Gly-Arg
ME470767
6426706
No result
-
232.1403
Glycine
Glycine
ME470972
5257127
C00037
-
76.0392
Glycyl-leucine
Gly-Leu
ME470973
1548899
C02155
-
189.1231
Glycyltyrosine
Gly-Tyr
ME470974
6994980
No result
-
239.102
Glycyrrhetinic acid
Glycyrrhetinic acid
ME471027
10114
C02283
-
471.3464
Gly-Glu
Gly-Glu
ME470768
99278
No result
-
205.0819
Gly-Gly-Gly
Gly-Gly-Gly
ME470971
11161
No result
-
190.0823
Gly-Leu-Arg
Gly-Leu-Arg
ME470769
15613527
No result
-
345.2243
Gly-Leu-Lys
Gly-Leu-Lys
ME471026
18221065
No result
-
317.2184
Gly-Lys
Gly-Lys
ME470770
306144
No result
-
204.1342
Gly-Pro-Arg
Gly-Pro-Arg
ME470771
21525054
No result
-
329.1929
Gly-Thr
Gly-Thr
ME470772
111257
No result
-
177.0868
Gly-val
Gly-Val
ME470604
97417
No result
-
175.1078
Gly-Val-Lys
Gly-Val-Lys
ME470773
18221206
No result
-
303.2028
Guanidinoacetic acid
Guanidoacetic acid
ME470975
3946848
C00581
-
118.0609
Guanosine
Guanosine
ME470976
6802
C00387
-
284.0989
Heptadecasphinganine
C17 Sphinganine
ME470774
3247037
No result
-
288.2895
Hexaethylene glycol
Hexaethylene glycol
ME470775
17472
No result
-
283.1749
Hexanoyl-L-carnitine
CAR 6:0
ME470776
3246938
No result
-
260.1855
His-Ala
His-Ala
ME470777
101180
No result
-
227.1138
His-Leu
His-Leu
ME471028
189008
C05010
-
269.1608
His-Met
His-Met
ME470778
7408103
No result
-
287.1171
His-Phe
His-Phe
ME470779
152198
No result
-
303.145
His-Pro
His-Pro
ME470780
11902993
No result
-
253.1293
Histamine
Histamine
ME470605
774
C00388
-
112.0868
His-Thr
His-Thr
ME470781
9878293
No result
-
257.1242
Histidine
Histidine
ME470606
6274
C00135
-
156.0767
His-Tyr
His-Tyr
ME470782
515713
No result
-
319.1401
His-Val
His-Val
ME470783
7021870
No result
-
255.1452
Homoarginine
Homoarginine
ME470607
9085
C01924
-
189.1344
Homoserine lactone
Homoserine lactone
ME470784
73509
C02926
-
102.0548
Hydroxychloroquine
Hydroxychloroquine
ME470785
3652
C07043
-
336.1832
Hypoxanthine
Hypoxanthine
ME470786
790
C00262
-
137.0456
Ifenprodil
-
ME470977
3689
D08064
-
326.2114
Ile-Ala-Lys
Ile-Ala-Lys
ME471029
18221611
No result
-
331.2339
Ile-Gln-Arg
Ile-Gln-Arg
ME470787
18221717
No result
-
416.2613
Ile-His
Ile-His
ME471030
7019080
No result
-
269.1606
Ile-Ile
Ile-Ile
ME470788
7010567
No result
-
245.1858
Ile-Pro-Ile
Ile-Pro-Ile
ME470789
3107
No result
-
342.2386
Ile-Tyr
Ile-Tyr
ME471031
-
No result
-
295.165
Ile-Val-Arg
Ile-Val-Arg
ME471032
18221959
No result
-
387.2714
Indole-3-carbinol
Indole-3-carbinol
ME470790
3712
No result
-
148.0755
Indole-3-carboxaldehyde
1H-Indole-3-carboxaldehyde
ME470978
10256
C08493
-
146.0598
Indolelactic acid
Indolelactic acid
ME470979
92904
C02043
-
206.081
Inosine
Inosine
ME470608
6021
C00294
-
269.0878
Ipratropium cation
-
ME470791
3746
No result
-
332.2217
Isovaleryl-L-carnitine
CAR 4:0;3Me
ME470792
169235
No result
-
246.1699
Isoxanthohumol
Isoxanthohumol
ME470793
9928523
No result
-
355.1538
Jasmonic acid
Jasmonic acid
ME470794
5281166
C08491
-
211.1326
Kynurenine
Kynurenine
ME470609
161166
C00328
-
209.092
Lactitol
Lactitol
ME470980
157355
D08266
-
345.1391
Lauric isopropanolamide
-
ME470798
9903249
No result
-
258.2426
Lauroyl-L-carnitine
CAR 12:0
ME470799
168381
No result
-
344.2796
Leu-Ala-Arg
Leu-Ala-Arg
ME470800
18221978
No result
-
359.24
Leu-Gln
Leu-Gln
ME470801
1574949
No result
-
260.1606
Leu-Leu-Arg
Leu-Leu-Arg
ME470802
22184292
No result
-
401.2871
Leu-Leu-Lys
Leu-Leu-Lys
ME470803
18222159
No result
-
373.281
Leu-Lys
Leu-Lys
ME470804
9816627
No result
-
260.197
Leu-Phe
Leu-Phe
ME470805
6992309
No result
-
279.1702
Leu-Ser-Arg
Leu-Ser-Arg
ME470981
18222240
No result
-
375.2348
Levamisole
Levamisole
ME470610
26879
C07070
-
205.0792
L-gamma-Glutamyl-L-glutamic acid
gamma-Glutamylglutamic acid
ME470795
92865
C05282
-
277.1029
L-Histidinol
L-Histidinol
ME470796
776
No result
-
142.0974
L-Homocitrulline
Homocitrulline
ME470797
231356
No result
-
190.1185
Linoleoylcarnitine
CAR 18:2
ME470807
6450015
No result
-
424.3417
Linoleoyl ethanolamide
Linoleoyl-EA
ME470806
5283446
No result
-
324.2892
Lisinopril
Lisinopril
ME470808
69862941
No result
-
406.2332
Losartan
Losartan
ME470809
3961
C07072
-
423.1692
Lovastatin
Lovastatin
ME470810
53232
C07074
-
405.2631
Lys-Ala
Lys-Ala
ME470811
7010504
No result
-
218.1499
Lys-Gln
Lys-Gln
ME470812
196305
No result
-
275.1712
Lys-Leu
Lys-Leu
ME471033
7016103
No result
-
260.1969
Lys-Met
Lys-Met
ME470813
7016114
No result
-
278.1533
Lys-Phe
Lys-Phe
ME470814
151410
No result
-
294.1813
Lys-Pro
Lys-Pro
ME470815
171204
No result
-
244.1655
Lys-Thr
Lys-Thr
ME470816
7010718
No result
-
248.1605
Lys-Tyr
Lys-Tyr
ME470817
7021820
No result
-
310.1762
Lys-Val
Lys-Val
ME470818
6992341
No result
-
246.1808
Malonyl-L-carnitine
CAR DC3:0
ME470820
91825606
No result
-
248.1128
Meprobamate
Meprobamate
ME470611
4064
D00376
-
219.1335
Metaxalone
Metaxalone
ME470824
15459
C07934
-
222.1122
Metformin
Metformin
ME470825
4091
C07151
-
130.1085
Met-Gln
Met-Gln
ME470821
7020113
No result
-
278.1167
Methionine
Methionine
ME470612
6137
C00073
-
150.0582
Methioninesulfoxide
Methionine sulfoxide
ME470613
1548907
C02989
-
166.0531
Methylecgonine
-
ME470826
104904
No result
-
200.1279
Methylglycinate
-
ME470982
69221
No result
-
90.0549
Methylpropionic acid
Isobutyric acid
ME470983
6590
C02632
-
89.06
Met-Ile
Met-Ile
ME471034
6451660
No result
-
263.1426
Metoprolol
Metoprolol
ME470827
4171
C07202
-
268.1906
Metoprolol acid
-
ME470828
62936
No result
-
268.1544
Met-Trp
Met-Trp
ME470822
3080870
No result
-
336.1374
Met-Val
Met-Val
ME470823
7010519
No result
-
249.1268
m-Hydroxycocaine
-
ME470819
53462156
No result
-
320.1491
Myristoyl-L-carnitine
CAR 14:0
ME470829
53477791
No result
-
372.3109
N6,N6,N6-trimethyl-lysine
N-6-Trimethyllysine
ME470842
159659
No result
-
189.1595
N8-Acetylspermidine
N8-Acetylspermidine
ME470621
123689
C01029
-
188.1755
N-Acetylaspartylglutamic acid
N-Acetyl-Asp-Glu
ME470614
188803
No result
-
305.0979
N-acetyl-glucosamine
N-Acetylglucosamine
ME471035
82313
C20328
-
244.0791
N-Acetylhistidine
N-Acetylhistidine
ME470615
51669405
C02997
-
198.0871
N-Acetyl-L-carnosine
N-Acetylcarnosine
ME470831
9903482
No result
-
269.1242
N-Acetyl-L-phenylalanine
N-Acetylphenylalanine
ME470832
2000
No result
-
208.0968
N-Acetylneuraminic acid
N-Acetylneuraminic acid
ME470616
439197
C00270
-
310.1144
N-Acetyltryptophan
N-Acetyl-tryptophan
ME470833
439917
C03137
-
247.1075
Nalbuphine
Nalbuphine
ME470993
5311304
C07251
-
358.2011
N-alpha-Acetyl-L-arginine
N-Acetylarginine
ME470830
1615663
No result
-
217.1293
N-Carbobenzyloxyleucine
N-Benzyloxycarbonyl-L-leucine
ME470984
74840
C04335
-
266.1387
N-Carboxyethyl-gamma-aminobutyric acid
N-Carboxyethyl-gamma-aminobutyric acid
ME470834
2572
No result
-
176.0917
N-Desmethylcyclobenzaprine
-
ME470835
9918
No result
-
262.1592
N-Desmethyldiltiazem
-
ME470836
107891
No result
-
401.1527
N-epsilon-Acetyllysine
N6-Acetyllysine
ME470617
6991978
C02727
-
189.1233
Nicotinamide
Niacinamide
ME470622
936
C00153
-
123.055
Nicotinamide riboside cation
Nicotinamide riboside
ME470843
439924
C03150
-
255.0973
Nifedipine
Nifedipine
ME470623
4485
C07266
-
347.1238
N-Isovalerylglycine
Isovalerylglycine
ME470985
546304
No result
-
160.0968
N-Methylalanine AND gamma-aminobutyric acid (GABA)
-
ME470986
25245686
No result
-
104.0705
N-Methylglutamic acid
N-Methyl-glutamic acid
ME470987
268779
No result
-
162.0759
N-Methylhistidine
N-Methylhistidine
ME470618
6971273
C03298
-
170.0924
N-Methylisoleucine
N-Methylisoleucine
ME470988
560437
No result
-
146.1174
N-Methylleucine
-
ME470989
567743
No result
-
146.1174
N-Methyllysine
N(6)-Methyllysine
ME470990
541646
No result
-
161.1283
N-Methylproline
N-Methyl-proline
ME470991
643474
No result
-
130.0861
N-Methylthreonine
-
ME470619
7010354
No result
-
134.081
N-Methyltyramine
N-Methyltyramine
ME470837
9727
C02442
-
152.1068
N-Methyltyrosine
-
ME470992
519723
No result
-
196.0967
n-Octadecylamine
Octadecylamine
ME470838
15793
No result
-
270.3155
N,O-Didesmethylvenlafaxine
-
ME470841
3451347
No result
-
250.1802
N-Oleoylethanolamine
Oleoyl-EA
ME470839
5283454
No result
-
326.3049
N-Oleoylglycine
N-Oleoyl glycine
ME470840
6436908
No result
-
340.2846
N-omega-Acetylhistamine
N-Acetylglutamine
ME470620
69602
C05135
-
154.0972
Norquetiapine
-
ME470844
11369918
No result
-
296.1214
Nortriptyline
Nortriptyline
ME470845
4543
C07274
-
264.1746
Octadecanedioic acid
Octadecanedioic acid
ME470994
70095
No result
-
315.2528
Octanoylcarnitine
CAR 8:0
ME470847
11953814
C02838
-
288.2166
O-Desmethylvenlafaxine
Desvenlafaxine
ME470846
125017
D07793
-
264.1959
Oleamide
Oleamide
ME470848
5283387
C19670
-
282.2792
Oleoyl-L-carnitine
CAR 18:1
ME470849
46907933
No result
-
426.3574
Omeprazole sulfide
-
ME470850
155794
No result
-
330.1268
Oxycodone
-
ME470624
5284603
C08018
-
316.1542
Oxymorphone
Oxymorphone
ME470995
5284604
C08019
-
302.1386
Palmatine cation
-
ME470852
19009
C05315
-
352.1544
Palmitoylcarnitine
CAR 16:0
ME470854
16902
No result
-
400.3419
Palmitoyl sphingomyelin
SM 18:1;O2/16:0
ME470853
9939941
No result
-
703.5743
Pantethine
-
ME470855
452306
No result
-
555.2521
Pantoprazole sulfide
-
ME470856
9799341
No result
-
368.0872
Pantothenic acid
Pantothenic acid
ME470857
6613
C00864
-
220.1177
Phe-Ile
Phe-Ile
ME471036
7010565
No result
-
279.1704
Phe-Leu
Phe-Leu
ME470858
7010521
No result
-
279.1702
Phenylacetylglutamine
alpha-N-Phenylacetylglutamine
ME470625
92258
C04148
-
265.118
Phenylalanine
Phenylalanine
ME470626
6140
C00079
-
166.0861
Phenylethanolamine
2-Hydroxyphenethylamine
ME471037
1000
C02735
-
138.0913
Phenylpropanolamine
Phenylpropanolamine
ME470996
4786
No result
-
152.1068
Pheophorbide a
Pheophorbide a
ME470862
-
C18021
-
593.2752
Phe-Tyr
Phe-Tyr
ME470859
515709
No result
-
329.1493
Phe-Val
Phe-Val
ME470860
7359121
No result
-
265.1544
Phe-Val-Lys
Phe-Val-Lys
ME470861
18223411
No result
-
393.2498
Phosphocholine
Choline phosphate
ME470627
1014
C00588
-
184.0732
p-Hydroxybenzoylecgonine
-
ME470851
56667780
No result
-
306.1332
Pilocarpine
Pilocarpine
ME470628
5910
C07474
-
209.128
Pipecolic acid
Pipecolic acid
ME470997
25200477
No result
-
130.0861
Piperine
Piperine
ME470629
638024
C03882
-
286.1436
Pro-Leu
Pro-Leu
ME471038
444109
No result
-
229.1543
Proline
Proline
ME470998
145742
C00148
-
116.0705
Proline-hydroxyproline
Pro-hydroxyPro
ME470999
11902892
No result
-
229.1182
Propionylcarnitine
CAR 3:0
ME470630
107738
C03017
-
218.1385
Protoporphyrin IX
Protoporphyrin
ME470863
-
No result
-
563.2648
Putrescine
Putrescine
ME470631
1045
C00134
-
89.1072
Pyridoxal
Pyridoxal
ME470864
1050
C00250
-
150.0548
Pyridoxamine
Pyridoxamine
ME470632
1052
C00534
-
169.0971
PyroGlu-Gly-Arg
-
ME470865
20224930
No result
-
343.1722
PyroGlu-Pro
-
ME470866
13306588
No result
-
227.1025
Pyroglutamic acid
Pyroglutamic acid
ME470633
7405
C01879
-
130.0499
Quercetin
Quercetin
ME470867
5280343
C00389
-
303.0496
Quetiapine
Quetiapine
ME470634
5002
C07397
-
384.1735
Quetiapine sulfoxide
-
ME470868
10431050
No result
-
400.1687
Quinaprilat
Quinaprilat
ME470869
107994
D03773
-
411.1916
rac-Didemethylcitalopram
-
ME470870
162976
C16609
-
297.1394
Ramipril
Ramipril
ME470871
5362129
D00421
-
417.2385
Ramiprilat
-
ME470872
5464096
No result
-
389.2071
Retinoic acid
Retinoic acid
ME471000
444795
C00777
-
301.2158
(-)-Riboflavin
Riboflavin
ME470644
493570
C00255
-
377.1453
Rosuvastatin
-
ME470873
446157
D08492
-
482.175
S-Adenosyl-methionine
S-Adenosylmethionine
ME470635
34755
C00019
-
399.1442
Sarcosine
Sarcosine
ME471001
1088
C00213
-
90.055
Scopoletin
Scopoletin
ME471002
5280460
C01752
-
193.0495
Ser-Ala-Arg
Ser-Ala-Arg
ME470874
18223786
No result
-
333.1878
Ser-Ala-Lys
Ser-Ala-Lys
ME470875
18223796
No result
-
305.182
Ser-Arg
Ser-Arg
ME470876
25216635
No result
-
262.1511
Ser-Glu
Ser-Glu
ME471003
-
No result
-
235.0924
Ser-His
Ser-His
ME470877
7016093
No result
-
243.1087
Ser-Ile-Lys
Ser-Ile-Lys
ME471039
18223968
No result
-
347.2288
Serine
Serine
ME470636
5951
C00065
-
106.0498
Ser-Lys
Ser-Lys
ME470878
16122513
No result
-
234.1448
Ser-Pro
Ser-Pro
ME470879
14647613
No result
-
203.1023
Ser-Pro-Lys
Ser-Pro-Lys
ME470880
18224065
No result
-
331.1972
Ser-Thr
Ser-Thr
ME470881
54027404
No result
-
207.0974
Ser-Tyr-Lys
Ser-Tyr-Lys
ME470882
23195555
No result
-
397.2077
Ser-Val
Ser-Val
ME470883
7020158
No result
-
205.1183
Ser-Val-Arg
Ser-Val-Arg
ME470884
18224153
No result
-
361.2192
Ser-Val-Lys
Ser-Val-Lys
ME470885
18224163
No result
-
333.213
Sitagliptin
Sitagliptin
ME470886
4369359
D08516
-
408.1249
sn-Glycero-3-phosphocholine
sn-Glycero-3-phosphocholine
ME470887
439285
C00670
-
258.1099
Solasodine
Solasodine
ME470888
442985
C10822
-
414.3366
Stearoyl-L-carnitine
CAR 18:0
ME470889
52922056
No result
-
428.3735
Stercobilin
L-Urobilin
ME470890
5280818
No result
-
595.3486
Sugar alcohol
Sorbitol
ME471040
5780
C00794
-
183.0864
Symetric and Asymetric dimethylarginine
Dimethylarginine
ME471041
123831
C03626
-
203.1501
Synephrine
Synephrine
ME471004
7172
C04548
-
168.1017
Targinine
Targinine
ME470637
132862
C03884
-
189.1346
Taurine
Taurine
ME471005
1123
C00245
-
126.0218
Thiamine cation
Thiamine
ME470891
1130
C00378
-
265.1115
Thr-Ala
Thr-Ala
ME470892
7010577
No result
-
191.1027
Thr-Ala-Lys
Thr-Ala-Lys
ME470893
18224183
No result
-
319.1973
Thr-Arg
Thr-Arg
ME470894
7016110
No result
-
276.1667
threo-Dihydrobupropion
-
ME470901
9834682
No result
-
242.1303
Thr-Ile-Arg
Thr-Ile-Arg
ME471042
18224347
No result
-
389.2504
Thr-Ile-Lys
Thr-Ile-Lys
ME471043
18224357
No result
-
361.2445
Thr-Leu-Lys
Thr-Leu-Lys
ME470895
18224376
No result
-
361.2445
Thr-Phe
Thr-Phe
ME470896
-
No result
-
267.1338
Thr-Pro-Arg
Thr-Pro-Arg
ME470897
18224444
No result
-
373.2194
Thr-Thr
Thr-Thr
ME470898
11321969
No result
-
221.1132
Thr-Tyr
Thr-Tyr
ME470899
-
No result
-
283.129
Thr-Val-Lys
Thr-Val-Lys
ME470900
18224548
No result
-
347.2287
TMAO
Trimethylamine N-oxide
ME470638
1145
C01104
-
76.0756
Tomatidine
Tomatidine
ME470902
65576
C10826
-
416.352
trans-3'-Hydroxycotinine
trans-3-Hydroxycotinine
ME470903
107963
No result
-
193.0971
Trazodone
Trazodone
ME470904
5533
C07156
-
372.158
Tricin methyl ether
-
ME470905
5379265
C19807
-
345.0967
Trigonelline
Trigonelline
ME470906
5570
C01004
-
138.0547
Trihydroxycholestanoic acid
Coprocholic acid
ME470908
122312
No result
-
468.3681
Trihydroxy-trimethoxyflavone
-
ME470907
5386960
No result
-
361.0917
Tris(2-butoxyethyl) phosphate
-
ME470909
6540
C14446
-
399.2505
trisaccharide
Hexose trisaccharide
ME471044
92146
No result
-
527.1584
Tris(hydroxymethyl)aminomethane
2-Amino-2-methylol-propane-1,3-diol
ME470910
6503
C07182
-
122.0811
Trp-Leu
Trp-Leu
ME471045
6997509
No result
-
318.1811
Trp-Val
Trp-Val
ME470911
7009657
No result
-
304.1652
Tryptamine
Tryptamine
ME470912
1150
C00398
-
161.1071
Tryptophan
Tryptophan
ME470639
6305
C00078
-
205.097
Tyramine
Tyramine
ME471007
5610
C00483
-
138.0913
Tyr-Arg
Tyr-Arg
ME470913
123804
C02993
-
338.1823
Tyr-Gln
Tyr-Gln
ME470914
7020178
No result
-
310.14
Tyr-Leu
Tyr-Leu
ME470915
7009561
No result
-
295.1649
Tyr-Tyr
Tyr-Tyr
ME471006
6998943
No result
-
345.1446
Tyr-Val
Tyr-Val
ME470916
7009559
No result
-
281.1497
Urocanic acid
Urocanic acid
ME470640
736715
C00785
-
139.05
Vaccenic acid
cis-Vaccenic acid
ME470917
5282761
No result
-
565.5184
Val-Ala-Lys
Val-Ala-Lys
ME470918
18232223
No result
-
317.2184
Val-Arg
Val-Arg
ME470919
444523
No result
-
274.1874
Val-Gln
Val-Gln
ME470920
54493101
No result
-
246.1447
Val-Glu
Val-Glu
ME470921
40520340
No result
-
247.129
Val-His
Val-His
ME470922
7408624
No result
-
255.1452
Valine
Valine
ME470641
6287
C00183
-
118.0861
Val-Phe
Val-Phe
ME470923
36689042
No result
-
265.1545
Val-Phe-Arg
Val-Phe-Arg
ME470924
18232462
No result
-
421.2557
Val-Tyr
Val-Tyr
ME470925
40492424
No result
-
281.1497
Val-Val-Lys
Val-Val-Lys
ME470926
18232579
No result
-
345.2498
Zeatin
trans-Zeatin
ME470927
449093
C00371
-
220.119
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