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Return to study ST002512 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
Betaine aldehyde cation
Betaine
ME605345
-
-
-
102.09136
gamma-Aminobutyric acid
gamma-Aminobutyric acid
ME605679
-
-
-
104.07063
Choline
Choline
ME605350
-
-
-
104.10691
Serine
Serine
ME605605
-
-
-
106.04987
DIETHANOLAMINE
Diethanolamine
ME605360
-
-
-
106.08632
1-Acetylimidazole
N-Acetylimidazole
ME605230
-
-
-
111.05535
Cytosine
Cytosine
ME605357
-
-
-
112.05035
Isocytosine
2-Amino-4-hydroxypyrimidine
ME605451
-
-
-
112.05061
Histamine
Histamine
ME605432
-
-
-
112.08692
Uracil
Uracil
ME605649
-
-
-
113.03458
Creatinine
Creatinine
ME605353
-
-
-
114.06601
Proline
Proline
ME605575
-
-
-
116.07049
Betaine
Betaine
ME605344
-
-
-
118.08605
Valine
Valine
ME605667
-
-
-
118.08614
N,N-Diethyl-2-aminoethanol
-
ME605506
-
-
-
118.12255
Threonine
Threonine
ME605635
-
-
-
120.06535
Phenylacetaldehyde
Phenylacetaldehyde
ME605557
-
-
-
121.06467
Niacinamide
Niacinamide
ME605530
-
-
-
123.05506
Nicotinic acid
Nicotinic acid
ME605532
-
-
-
124.03921
Taurine
Taurine
ME605615
-
-
-
126.02177
5-METHYLCYTOSINE
5-Methylcytosine
ME605275
-
-
-
126.06598
1-Methylhistamine
1-Methylhistamine
ME605238
-
-
-
126.10246
Thymine
Thymine
ME605637
-
-
-
127.05005
4-IMIDAZOLEACETIC ACID
Imidazoleacetic acid
ME605270
-
-
-
127.05015
Nipecotic acid
-
ME605533
-
-
-
130.08611
Pipecolic acid
Pipecolic acid
ME605562
-
-
-
130.08618
Agmatine
Agmatine
ME605289
-
-
-
131.12895
Hydroxyproline
Hydroxyproline
ME605434
-
-
-
132.06548
Creatine
Creatine
ME605352
-
-
-
132.07635
Leucine
Leucine
ME605477
-
-
-
132.1015
Isoleucine
Isoleucine
ME605452
-
-
-
132.10155
Asparagine
Asparagine
ME605342
-
-
-
133.06053
Ornithine
Ornithine
ME605536
-
-
-
133.09683
Aspartic acid
Aspartic acid
ME605343
-
-
-
134.04469
N-Methylthreonine
-
ME605519
-
-
-
134.0809
Adenine
Adenine
ME605287
-
-
-
136.06165
Hypoxanthine
Hypoxanthine
ME605435
-
-
-
137.04547
1-Methyl nicotinamide
1-Methyl nicotinamide
ME605239
-
-
-
137.07069
TRIGONELLINE
Trigonelline
ME605613
-
-
-
138.0547
Urocanic acid
Urocanic acid
ME605271
-
-
-
139.04982
ectoine
Ectoine
ME605678
-
-
-
143.08133
Stachydrine
Stachydrine
ME605609
-
-
-
144.10164
Indole-6-carboxaldehyde
-
ME605449
-
-
-
146.05965
4-Hydroxyquinoline
4-Hydroxyquinoline
ME605269
-
-
-
146.05983
4-Guanidinobutyric acid
4-Guanidinobutanoic acid
ME605268
-
-
-
146.09207
DEOXYCARNITINE
3-Dehydroxycarnitine
ME605359
-
-
-
146.11729
Glutamine
Glutamine
ME605387
-
-
-
147.07605
Lysine
Lysine
ME605489
-
-
-
147.11235
Glutamic acid
Glutamic acid
ME605386
-
-
-
148.06
Methionine
Methionine
ME605501
-
-
-
150.05788
7-Methyladenine
7-Methyladenine
ME605282
-
-
-
150.077
2,2',2''-Nitrilotriethanol
Triethanolamine
ME605257
-
-
-
150.11235
Guanine
Guanine
ME605410
-
-
-
152.05626
Xanthine
Xanthine
ME605670
-
-
-
153.04025
4,6-Diamino-5-formamidopyrimidine
FAPy-adenine
ME605267
-
-
-
154.07211
N-Acetylglutamine
N-Acetylglutamine
ME605523
-
-
-
154.09709
Histidine
Histidine
ME605433
-
-
-
156.07648
Methacholine cation
Methacholine
ME605500
-
-
-
160.13303
N(6)-Methyllysine
N(6)-Methyllysine
ME605518
-
-
-
161.12823
N-Methylglutamic acid
N-Methyl-glutamic acid
ME605516
-
-
-
162.07582
AMINOADIPIC
Aminoadipic acid
ME605285
-
-
-
162.07587
Carnitine
Carnitine
ME605348
-
-
-
162.11215
Gly-Ser
Gly-Ser
ME605404
-
-
-
163.07088
Ser-Gly
Ser-Gly
ME605594
-
-
-
163.07101
delta(5)-Hydroxylysine
-
ME605677
-
-
-
163.1076
Bicine
-
ME605346
-
-
-
164.09148
Methioninesulfoxide [M+H]+
Methionine sulfoxide
ME605502
-
-
-
166.05292
7-Methylguanine
7-Methylguanine
ME605283
-
-
-
166.07204
Phenylalanine
Phenylalanine
ME605559
-
-
-
166.08566
pyridoxal
Pyridoxal
ME605694
-
-
-
168.06496
Pyridoxamine
Pyridoxamine
ME605579
-
-
-
169.09669
Pyridoxine
Pyridoxine
ME605580
-
-
-
170.07968
N-Methylhistidine
N-Methylhistidine
ME605517
-
-
-
170.09229
Pro-Gly
Pro-Gly
ME605568
-
-
-
173.09166
Gly-Pro
Gly-Pro
ME605401
-
-
-
173.09171
Gly-val
Gly-Val
ME605406
-
-
-
175.10741
N-Acetylornithine
N-Acetylornithine
ME605521
-
-
-
175.10747
Arginine
Arginine
ME605321
-
-
-
175.11836
N6,N6-dimethyllysine
N(6),N(6)-Dimethyl-lysine
ME605526
-
-
-
175.14378
Guanidinosuccinic acid
Guanidinosuccinic acid
ME605409
-
-
-
176.06624
N-Carboxyethyl-gamma-aminobutyric acid
N-Carboxyethyl-gamma-aminobutyric acid
ME605515
-
-
-
176.09131
Citrulline
Citrulline
ME605351
-
-
-
176.10249
Ferulic acid methyl ester
-
ME605367
-
-
-
177.0542
Ser-Ala
Ser-Ala
ME605591
-
-
-
177.08655
Gly-Thr
Gly-Thr
ME605405
-
-
-
177.0867
Galactosamine
Galactosamine
ME605368
-
-
-
180.08641
glucosamine
Glucosamine
ME605683
-
-
-
180.08655
Tyrosine
Tyrosine
ME605648
-
-
-
182.08078
4-Pyridoxic acid
4-Pyridoxic acid
ME605272
-
-
-
184.06
Phosphocholine
Choline phosphate
ME605560
-
-
-
184.07315
Pro-Ala
Pro-Ala
ME605563
-
-
-
187.10724
Ala-Pro
Ala-Pro
ME605307
-
-
-
187.10728
N6-(1-Iminoethyl)-lysine
-
ME605527
-
-
-
188.13895
N(2)-Acetyllysine
N(2)-Acetyllysine
ME605528
-
-
-
189.12285
N6-Acetyllysine
N6-Acetyllysine
ME605522
-
-
-
189.12289
Targinine
Targinine
ME605614
-
-
-
189.13416
N-6-Trimethyllysine
N-6-Trimethyllysine
ME605529
-
-
-
189.15923
Kynurenic acid
Kynurenic acid
ME605455
-
-
-
190.04962
Homocitrulline
Homocitrulline
ME605684
-
-
-
190.11827
alpha-Asp-Gly
-
ME605673
-
-
-
191.06581
Thr-Ala
Thr-Ala
ME605619
-
-
-
191.10217
Ala-Thr
Ala-Thr
ME605309
-
-
-
191.10222
Ser-Ser
Ser-Ser
ME605602
-
-
-
193.08157
N-Acetylhistidine
N-Acetylhistidine
ME605512
-
-
-
198.08701
S-Sulfocysteine
Cysteine-S-sulfate
ME605586
-
-
-
201.98354
Pro-Ser
Pro-Ser
ME605572
-
-
-
203.10219
Ala-Ile
Ala-Ile
ME605298
-
-
-
203.1387
Ala-Leu
Ala-Leu
ME605301
-
-
-
203.1387
Dimethylarginine
Dimethylarginine
ME605507
-
-
-
203.14995
Spermine
Spermine
ME605607
-
-
-
203.22284
Acetylcarnitine
CAR 2:0
ME605286
-
-
-
204.1227
Gly-Lys
Gly-Lys
ME605399
-
-
-
204.13394
Gly-Glu
Gly-Glu
ME605392
-
-
-
205.08163
Tryptophan
Tryptophan
ME605640
-
-
-
205.09659
Ser-Val
Ser-Val
ME605603
-
-
-
205.11803
Val-Ser
Val-Ser
ME605662
-
-
-
205.11812
Xanthurenic acid
Xanthurenic acid
ME605672
-
-
-
206.04449
DL-Lanthionine
-
ME605361
-
-
-
209.05862
Cyclo ? Asn-Pro
-
ME605354
-
-
-
212.103
His-Gly
His-Gly
ME605420
-
-
-
213.09775
Gly-His
Gly-His
ME605395
-
-
-
213.09799
Pro-Pro
Pro-Pro
ME605571
-
-
-
213.12303
Arg-Pro-Arg
Arg-Pro-Arg
ME605319
-
-
-
214.63972
Pro-Val
Pro-Val
ME605574
-
-
-
215.13852
Pro-Thr
Pro-Thr
ME605573
-
-
-
217.11777
Pelargonidin
Pelargonidin
ME605520
-
-
-
217.1291
Val-Val
Val-Val
ME605665
-
-
-
217.15428
Gln-Ala
Gln-Ala
ME605369
-
-
-
218.11296
Ala-Gln
Ala-Gln
ME605293
-
-
-
218.1131
Propionylcarnitine
CAR 3:0
ME605577
-
-
-
218.13844
Ala-Lys
Ala-Lys
ME605304
-
-
-
218.14954
Glu-Ala
Glu-Ala
ME605381
-
-
-
219.09679
Ala-Glu
Ala-Glu
ME605294
-
-
-
219.0972
Ile-Ser
Ile-Ser
ME605447
-
-
-
219.13348
Thr-Val
Thr-Val
ME605633
-
-
-
219.13354
Val-Thr
Val-Thr
ME605663
-
-
-
219.13356
Asn-Ser
Asn-Ser
ME605328
-
-
-
220.09247
Pantothenic acid
Pantothenic acid
ME605541
-
-
-
220.11736
Asp-Ser
Asp-Ser
ME605341
-
-
-
221.07639
Thr-Thr
Thr-Thr
ME605632
-
-
-
221.11284
N-Acetylmannosamine
N-Acetyl-mannosamine
ME605513
-
-
-
222.09676
N-Acetylglucosamine
N-Acetylglucosamine
ME605511
-
-
-
222.09756
Gly-Phe
Gly-Phe
ME605400
-
-
-
223.10709
Phe-Gly
Phe-Gly
ME605547
-
-
-
223.10724
PyroGlu-Pro
-
ME605582
-
-
-
227.10193
Carnosine
Carnosine
ME605349
-
-
-
227.11339
His-Ala
His-Ala
ME605414
-
-
-
227.11349
2'-Deoxycytidine
Deoxycytidine
ME605253
-
-
-
228.09717
Proline-hydroxyproline
Pro-hydroxyPro
ME605576
-
-
-
229.11778
PyroGlu-Val
PyroGlu-Val
ME605583
-
-
-
229.11797
Ile-Pro
Ile-Pro
ME605445
-
-
-
229.15419
Leu-Pro
Leu-Pro
ME605473
-
-
-
229.15428
Ergothioneine
Ergothioneine
ME605365
-
-
-
230.09532
Asp-Pro
Asp-Pro
ME605340
-
-
-
231.09709
Val-Ile
Val-Ile
ME605656
-
-
-
231.16988
Asn-Val
Asn-Val
ME605329
-
-
-
232.12892
Gly-Arg
Gly-Arg
ME605389
-
-
-
232.14011
(R)-Butyrylcarnitine
CAR 4:0
ME605224
-
-
-
232.15376
Gln-Ser
Gln-Ser
ME605377
-
-
-
234.108
Ser-Gln
Ser-Gln
ME605593
-
-
-
234.10808
Ser-Lys
Ser-Lys
ME605599
-
-
-
234.14449
His-Pro, cyclo?
-
ME605427
-
-
-
235.11823
Phe-Ala
Phe-Ala
ME605543
-
-
-
237.12276
Ala-Phe
Ala-Phe
ME605305
-
-
-
237.12297
S-succinylcysteine
SHexCer 39:0;O3
ME605587
-
-
-
238.03746
6-Biopterin
Biopterin
ME605279
-
-
-
238.09323
Pentaethylene glycol
Pentaethylene glycol
ME605542
-
-
-
239.14848
7,8-Dihydrobiopterin
7,8-Dihydrobiopterin
ME605281
-
-
-
240.10834
Cystine
Cystine
ME605355
-
-
-
241.03056
Anserine
Anserine
ME605312
-
-
-
241.12949
5-Methyl-2'-deoxycytidine
5-Methyl-2'-deoxycytidine
ME605276
-
-
-
242.11292
Thymidine
Thymidine
ME605636
-
-
-
243.0972
Ser-His
Ser-His
ME605596
-
-
-
243.10832
His-Ser
His-Ser
ME605428
-
-
-
243.10873
Cytidine
Cytidine
ME605356
-
-
-
244.09235
Gly-Pro-Ala
Gly-Pro-Ala
ME605402
-
-
-
244.12881
Pro-Gln
Pro-Gln
ME605566
-
-
-
244.12888
Lys-Pro
Lys-Pro
ME605485
-
-
-
244.16536
Pro-Lys
Pro-Lys
ME605570
-
-
-
244.16544
Phencyclidine???
Phencyclidine
ME605556
-
-
-
244.19048
Pro-Glu
Pro-Glu
ME605567
-
-
-
245.11287
Ile-Ile
Ile-Ile
ME605441
-
-
-
245.18549
Gln-Val
Gln-Val
ME605379
-
-
-
246.1445
Arg-Ala
Arg-Ala
ME605313
-
-
-
246.15575
2-Methylbutyryl-carnitine
CAR 4:0;2Me
ME605259
-
-
-
246.16956
Lys-Val
Lys-Val
ME605488
-
-
-
246.18057
Val-Lys
Val-Lys
ME605660
-
-
-
246.18069
N-Acetyl-tryptophan
N-Acetyl-tryptophan
ME605514
-
-
-
247.10722
Asp-Ile
Asp-Ile
ME605338
-
-
-
247.12833
Val-Glu
Val-Glu
ME605653
-
-
-
247.12851
Malonyl-carnitine
CAR DC3:0
ME605490
-
-
-
248.11238
Thr-Gln
Thr-Gln
ME605622
-
-
-
248.12346
Gln-Thr
Gln-Thr
ME605378
-
-
-
248.12352
3-Hydroxybutyrylcarnitine
CAR 4:0;3OH
ME605260
-
-
-
248.14864
Lys-Thr
Lys-Thr
ME605487
-
-
-
248.1601
Asp-Asp
Asp-Asp
ME605331
-
-
-
249.07126
Glu-Thr
Glu-Thr
ME605385
-
-
-
249.10786
Thr-Glu
Thr-Glu
ME605623
-
-
-
249.10852
Val-Met
Val-Met
ME605661
-
-
-
249.12619
Met-Val
Met-Val
ME605499
-
-
-
249.12633
Deoxyadenosine
Deoxyadenosine
ME605252
-
-
-
252.1086
Deoxyinosine
Deoxyinosine
ME605255
-
-
-
253.09253
Phe-Ser
Phe-Ser
ME605553
-
-
-
253.11781
His-Pro
His-Pro
ME605426
-
-
-
253.12927
Pro-His
Pro-His
ME605569
-
-
-
253.12927
Palmitic acid alkyne
-
ME605537
-
-
-
253.21594
Nicotinamide riboside
Nicotinamide riboside
ME605531
-
-
-
255.09689
Val-His
Val-His
ME605655
-
-
-
255.14471
His-Val
His-Val
ME605431
-
-
-
255.14488
His-Thr
His-Thr
ME605429
-
-
-
257.12393
Thr-His
Thr-His
ME605627
-
-
-
257.12396
2'-O-Methylcytidine
2'-O-Methylcytidine
ME605256
-
-
-
258.10751
5-Methylcytidine
5-Methylcytidine
ME605277
-
-
-
258.10815
3-Methylcytidine
3-Methylcytidine
ME605263
-
-
-
258.10831
SN-GLYCERO-3-PHOSPHOCHOLINE
sn-Glycero-3-phosphocholine
ME605588
-
-
-
258.10904
L-Leucyl-leucine methyl ester
-
ME605456
-
-
-
259.20114
Leu-Gln
Leu-Gln
ME605462
-
-
-
260.16003
Ile-Gln
Ile-Gln
ME605437
-
-
-
260.16028
Hexanoyl-carnitine
CAR 6:0
ME605413
-
-
-
260.18524
Lys-Leu
Lys-Leu
ME605482
-
-
-
260.1962
Lys-Ile
Lys-Ile
ME605481
-
-
-
260.19647
Ile-Lys
Ile-Lys
ME605444
-
-
-
260.19653
Leu-Lys
Leu-Lys
ME605470
-
-
-
260.19666
PyroGlu-Met
-
ME605581
-
-
-
261.09
Glu-Leu
Glu-Leu
ME605383
-
-
-
261.14386
Leu-Glu
Leu-Glu
ME605463
-
-
-
261.14407
gamma-Glutamylleucine
gamma-Glutamylleucine
ME605681
-
-
-
261.1441
Gly-Gly-Lys
Gly-Gly-Lys
ME605394
-
-
-
261.15561
alpha-Asp-Lys
-
ME605674
-
-
-
262.13919
Ser-Arg
Ser-Arg
ME605592
-
-
-
262.15131
(2R)-3-Hydroxyisovaleroylcarnitine
CAR 4:0;OH,Me
ME605223
-
-
-
262.16495
Asp-Glu
Asp-Glu
ME605334
-
-
-
263.08698
Phe-Pro
Phe-Pro
ME605552
-
-
-
263.13855
Leu-Met
Leu-Met
ME605471
-
-
-
263.14175
Met-Ile
Met-Ile
ME605496
-
-
-
263.142
Thiamine Cation
Thiamine
ME605618
-
-
-
265.11124
Phenylacetylglutamine
alpha-N-Phenylacetylglutamine
ME605558
-
-
-
265.1181
Phe-Val
Phe-Val
ME605555
-
-
-
265.15402
Phe-Thr
Phe-Thr
ME605554
-
-
-
267.13333
Adenosine
Adenosine
ME605288
-
-
-
268.10345
Deoxyguanosine
Deoxyguanosine
ME605254
-
-
-
268.10349
Inosine
Inosine
ME605450
-
-
-
269.08755
Tyr-Ser
Tyr-Ser
ME605646
-
-
-
269.11197
N-Acetyl-carnosine
N-Acetylcarnosine
ME605509
-
-
-
269.12509
His-Ile
His-Ile
ME605422
-
-
-
269.16016
His-Leu
His-Leu
ME605423
-
-
-
269.16037
Ile-His
Ile-His
ME605440
-
-
-
269.16037
Leu-His
Leu-His
ME605465
-
-
-
269.1604
His-Asn
His-Asn
ME605416
-
-
-
270.11945
4,5,7-Trihydroxyisoflavone
Genistein
ME605266
-
-
-
271.05966
His-Asp
His-Asp
ME605417
-
-
-
271.10092
Asp-His
Asp-His
ME605337
-
-
-
271.10315
Arg-Pro
Arg-Pro
ME605318
-
-
-
272.17117
Pro-Arg
Pro-Arg
ME605565
-
-
-
272.17136
Arg-Val
Arg-Val
ME605320
-
-
-
274.1868
Val-Arg
Val-Arg
ME605652
-
-
-
274.18692
Gln-Gln
Gln-Gln
ME605371
-
-
-
275.13449
Ala-Gly-Lys
Ala-Gly-Lys
ME605297
-
-
-
275.17087
Gln-Lys
Gln-Lys
ME605376
-
-
-
275.17093
Lys-Lys
Lys-Lys
ME605483
-
-
-
275.20764
Glu-Gln
Glu-Gln
ME605382
-
-
-
276.11816
Gln-Glu
Gln-Glu
ME605372
-
-
-
276.11844
H-gamma-glutamyl-glutamine
gamma-Glutamylglutamine
ME605412
-
-
-
276.11871
gamma-Glu-epsilon-Lys
-
ME605680
-
-
-
276.15488
Thr-Arg
Thr-Arg
ME605620
-
-
-
276.16629
L-gamma-Glutamyl-glutamic acid
-
ME605457
-
-
-
277.1026
Saccharopine
Saccharopine
ME605589
-
-
-
277.13913
Met-Gln
Met-Gln
ME605494
-
-
-
278.1167
Met-Lys
Met-Lys
ME605497
-
-
-
278.15283
gamma-Glutamylmethionine
gamma-Glutamylmethionine
ME605682
-
-
-
279.10068
Phe-Ile
Phe-Ile
ME605548
-
-
-
279.16901
Phe-Leu
Phe-Leu
ME605550
-
-
-
279.16953
Leu-Phe
Leu-Phe
ME605472
-
-
-
279.16974
Tyr-Val
Tyr-Val
ME605647
-
-
-
281.14883
6-Methyladenosine
N6-Methyladenosine
ME605280
-
-
-
282.11783
1-Methyladenosine
1-Methyladenosine
ME605235
-
-
-
282.11932
Guanosine
Guanosine
ME605411
-
-
-
284.09821
His-Gln
His-Gln
ME605418
-
-
-
284.13528
His-Lys
His-Lys
ME605424
-
-
-
284.17154
Glycitein
Glycitein
ME605408
-
-
-
285.07535
Xanthosine
Xanthosine
ME605671
-
-
-
285.08258
His-Glu
His-Glu
ME605419
-
-
-
285.1188
N-Acetylcytidine
N4-Acetylcytidine
ME605510
-
-
-
286.10266
His-Met
His-Met
ME605425
-
-
-
287.11676
Arg-Leu
Arg-Leu
ME605315
-
-
-
288.2023
Leu-Arg
Leu-Arg
ME605461
-
-
-
288.20258
Ile-Arg
Ile-Arg
ME605436
-
-
-
288.20279
Octanoylcarnitine
CAR 8:0
ME605534
-
-
-
288.21652
Asn-Arg
Asn-Arg
ME605322
-
-
-
289.16177
Ala-Ala-Lys
Ala-Ala-Lys
ME605291
-
-
-
289.18649
Asp-Arg
Asp-Arg
ME605330
-
-
-
290.14514
His-His
His-His
ME605421
-
-
-
293.13495
Phe-Gln
Phe-Gln
ME605545
-
-
-
294.14447
Lys-Phe
Lys-Phe
ME605484
-
-
-
294.18076
Phe-Lys
Phe-Lys
ME605551
-
-
-
294.18103
Leu-Tyr
Leu-Tyr
ME605476
-
-
-
295.16367
Tyr-Ile
Tyr-Ile
ME605643
-
-
-
295.16461
9(10)-Epoxy-12Z-octadecenoic acid
9(10)-EpOME
ME605284
-
-
-
297.24176
5'-Methylthioadenosine
5'-Methylthioadenosine
ME605273
-
-
-
298.09625
N2-Methylguanosine
2-Methylguanosine
ME605525
-
-
-
298.11407
1-Methylguanosine
1-Methylguanosine
ME605237
-
-
-
298.11438
Palmitoyl ethanolamide
Palmitoyl-EA
ME605538
-
-
-
300.28918
D-erythro-N-stearoylsphingosine
-
ME605358
-
-
-
300.28943
Gly-Pro-Lys
Gly-Pro-Lys
ME605403
-
-
-
301.18643
Gly-Ala-Arg
Gly-Ala-Arg
ME605388
-
-
-
303.17706
Gln-Arg
Gln-Arg
ME605370
-
-
-
303.17731
Val-Gly-Lys
Val-Gly-Lys
ME605654
-
-
-
303.20248
Arg-Lys
Arg-Lys
ME605316
-
-
-
303.21375
Arg-Glu
Arg-Glu
ME605314
-
-
-
304.16086
Val-Trp
Val-Trp
ME605664
-
-
-
304.16531
1,4-D-Xylobiose
Xylobiose
ME605227
-
-
-
305.08347
Thr-Gly-Lys
Thr-Gly-Lys
ME605626
-
-
-
305.1824
Met-Arg
Met-Arg
ME605493
-
-
-
306.15979
Tyr-Lys
Tyr-Lys
ME605645
-
-
-
310.17578
Tyr-Glu
Tyr-Glu
ME605642
-
-
-
311.12329
N2,N2-Dimethylguanosine
N2,N2-Dimethylguanosine
ME605524
-
-
-
312.12946
His-Arg
His-Arg
ME605415
-
-
-
312.17734
Pro-Ala-Lys
Pro-Ala-Lys
ME605564
-
-
-
315.20288
decanoylcarnitine
CAR 10:0
ME605676
-
-
-
316.24747
Ala-Ala-Arg
Ala-Ala-Arg
ME605290
-
-
-
317.19247
Ala-Val-Lys
Ala-Val-Lys
ME605310
-
-
-
317.21744
Gly-Ile-Lys
Gly-Ile-Lys
ME605397
-
-
-
317.2175
Val-Ala-Lys
Val-Ala-Lys
ME605651
-
-
-
317.21753
Ile-Gly-Lys
Ile-Gly-Lys
ME605439
-
-
-
317.21765
Gly-Leu-Lys
Gly-Leu-Lys
ME605398
-
-
-
317.2178
Asn-Gly-Lys
Asn-Gly-Lys
ME605324
-
-
-
318.17679
Leu-Trp
Leu-Trp
ME605475
-
-
-
318.18066
Trp-Ile
Trp-Ile
ME605638
-
-
-
318.18076
Phytosphingosine
Phytosphingosine
ME605561
-
-
-
318.29935
His-Tyr
His-Tyr
ME605430
-
-
-
319.13782
Asp-Gly-Lys
Asp-Gly-Lys
ME605336
-
-
-
319.16083
Ser-Gly-Arg
Ser-Gly-Arg
ME605595
-
-
-
319.16971
Phe-Arg
Phe-Arg
ME605544
-
-
-
322.1868
Arg-Phe
Arg-Phe
ME605317
-
-
-
322.18716
Linoleoyl ethanolamide
Linoleoyl-EA
ME605478
-
-
-
324.28915
5-(Galactosylhydroxy)-lysine
5-(Galactosylhydroxy)-lysine
ME605274
-
-
-
325.15912
Ser-Pro-Lys
Ser-Pro-Lys
ME605601
-
-
-
331.1973
Ala-Leu-Lys
Ala-Leu-Lys
ME605303
-
-
-
331.23328
Leu-Ala-Lys
Leu-Ala-Lys
ME605460
-
-
-
331.23331
Ala-Ile-Lys
Ala-Ile-Lys
ME605300
-
-
-
331.2334
Ala-Asp-Lys
Ala-Asp-Lys
ME605292
-
-
-
333.17621
Thr-Gly-Arg
Thr-Gly-Arg
ME605625
-
-
-
333.18781
Trp-Lys
Trp-Lys
ME605639
-
-
-
333.19266
Ser-Val-Lys
Ser-Val-Lys
ME605604
-
-
-
333.2128
Thr-Ser-Lys
Thr-Ser-Lys
ME605631
-
-
-
335.19186
Met-Trp
Met-Trp
ME605498
-
-
-
336.13693
Tyr-Arg
Tyr-Arg
ME605641
-
-
-
338.18164
Ile-Pro-Ile
Ile-Pro-Ile
ME605446
-
-
-
342.23788
Lactose
Lactose
ME605458
-
-
-
343.12286
Ala-Pro-Arg
Ala-Pro-Arg
ME605308
-
-
-
343.20795
lauroylcarnitine
CAR 12:0
ME605685
-
-
-
344.27893
Thr-Pro-Lys
Thr-Pro-Lys
ME605630
-
-
-
345.21295
Gly-Ile-Arg
Gly-Ile-Arg
ME605396
-
-
-
345.22314
Val-Val-Lys
Val-Val-Lys
ME605666
-
-
-
345.24936
Asp-Gly-Arg
Asp-Gly-Arg
ME605335
-
-
-
347.16541
Gly-Asp-Arg
Gly-Asp-Arg
ME605390
-
-
-
347.16681
Ala-Glu-Lys
Ala-Glu-Lys
ME605296
-
-
-
347.19519
Thr-Val-Lys
Thr-Val-Lys
ME605634
-
-
-
347.22833
Ser-Leu-Lys
Ser-Leu-Lys
ME605598
-
-
-
347.22855
Ser-Ile-Lys
Ser-Ile-Lys
ME605597
-
-
-
347.22861
N-2-Hydroxycyclopentyladenosine
-
ME605508
-
-
-
352.16086
Monolinolenin (9c,12c,15c)
-
ME605503
-
-
-
353.26807
Leu-Pro-Lys
Leu-Pro-Lys
ME605474
-
-
-
357.24945
Asn-Pro-Lys
Asn-Pro-Lys
ME605327
-
-
-
358.20825
Ser-Pro-Arg
Ser-Pro-Arg
ME605600
-
-
-
359.20099
Ala-Leu-Arg
Ala-Leu-Arg
ME605302
-
-
-
359.23526
Ala-Ile-Arg
Ala-Ile-Arg
ME605299
-
-
-
359.23914
Leu-Ala-Arg
Leu-Ala-Arg
ME605459
-
-
-
359.23944
Val-Leu-Lys
Val-Leu-Lys
ME605659
-
-
-
359.26498
Val-Ile-Lys
Val-Ile-Lys
ME605657
-
-
-
359.26505
Gly-Gln-Arg
Gly-Gln-Arg
ME605391
-
-
-
360.19843
Gly-Glu-Arg
Gly-Glu-Arg
ME605393
-
-
-
361.18124
Thr-Ile-Lys
Thr-Ile-Lys
ME605628
-
-
-
361.24365
Thr-Leu-Lys
Thr-Leu-Lys
ME605629
-
-
-
361.24374
Thr-Asp-Lys
Thr-Asp-Lys
ME605621
-
-
-
363.18698
TRH, free acid
-
ME605612
-
-
-
364.15994
Sucrose
Sucrose
ME605610
-
-
-
365.10266
Ala-Phe-Lys
Ala-Phe-Lys
ME605306
-
-
-
365.21793
Lys-Pro-Lys
Lys-Pro-Lys
ME605486
-
-
-
372.26041
Myristoyl-carnitine
CAR 14:0
ME605504
-
-
-
372.30978
Leu-Ile-Lys
Leu-Ile-Lys
ME605467
-
-
-
373.28058
Ile-Ile-Lys
Ile-Ile-Lys
ME605443
-
-
-
373.28064
Leu-Leu-Lys
Leu-Leu-Lys
ME605469
-
-
-
373.28073
Gln-Val-Lys
Gln-Val-Lys
ME605380
-
-
-
374.23923
Asn-Ile-Lys
Asn-Ile-Lys
ME605325
-
-
-
374.23981
Ala-Glu-Arg
Ala-Glu-Arg
ME605295
-
-
-
375.1976
Asp-Leu-Lys
Asp-Leu-Lys
ME605339
-
-
-
375.22321
Riboflavin
Riboflavin
ME605584
-
-
-
377.14523
Asp-Asp-Lys
Asp-Asp-Lys
ME605333
-
-
-
377.1665
Thr-Glu-Lys
Thr-Glu-Lys
ME605624
-
-
-
377.20224
Ile-Val-Arg
Ile-Val-Arg
ME605448
-
-
-
387.27057
Val-Leu-Arg
Val-Leu-Arg
ME605658
-
-
-
387.27106
Gln-Leu-Lys
Gln-Leu-Lys
ME605375
-
-
-
388.2547
Gln-Ile-Lys
Gln-Ile-Lys
ME605374
-
-
-
388.25479
Ile-Glu-Lys
Ile-Glu-Lys
ME605438
-
-
-
389.23877
Glu-Leu-Lys
Glu-Leu-Lys
ME605384
-
-
-
389.23904
Leu-Glu-Lys
Leu-Glu-Lys
ME605464
-
-
-
389.24039
Asn-Glu-Lys
Asn-Glu-Lys
ME605323
-
-
-
390.19891
Lys-Asp-Lys
Lys-Asp-Lys
ME605480
-
-
-
390.2348
S-Adenosylmethionine
S-Adenosylmethionine
ME605585
-
-
-
399.14371
Palmitoylcarnitine
CAR 16:0
ME605539
-
-
-
400.34167
Leu-Ile-Arg
Leu-Ile-Arg
ME605466
-
-
-
401.28635
Ile-Ile-Arg
Ile-Ile-Arg
ME605442
-
-
-
401.28641
Leu-Leu-Arg
Leu-Leu-Arg
ME605468
-
-
-
401.28662
Gln-Glu-Lys
Gln-Glu-Lys
ME605373
-
-
-
404.215
Asp-Asp-Arg
Asp-Asp-Arg
ME605332
-
-
-
405.17221
Met-Gln-Lys
Met-Gln-Lys
ME605495
-
-
-
406.21094
Phe-Ile-Lys
Phe-Ile-Lys
ME605549
-
-
-
407.26492
Asn-Phe-Lys
Asn-Phe-Lys
ME605326
-
-
-
408.22363
3-Hydroxyhexadecanoylcarnitine
CAR 16:0;3OH
ME605261
-
-
-
416.33621
Daidzin
Daidzin
ME605362
-
-
-
417.11697
Tyr-Leu-Lys
Tyr-Leu-Lys
ME605644
-
-
-
423.25989
Linoleoylcarnitine
CAR 18:2
ME605479
-
-
-
424.34128
N,N'-Diacetylchitobiose
N,N'-Diacetylchitobiose
ME605505
-
-
-
425.17551
Oleoyl-carnitine
CAR 18:1
ME605535
-
-
-
426.35712
Isovitexin
Isovitexin
ME605453
-
-
-
433.11249
Vitexin
Vitexin
ME605668
-
-
-
433.12222
3-Hydroxyoleylcarnitine
-
ME605262
-
-
-
442.35193
Sissotrin
-
ME605606
-
-
-
447.12781
Spinosine
-
ME605608
-
-
-
447.12833
Phe-Glu-Arg
Phe-Glu-Arg
ME605546
-
-
-
451.22925
Glycerophospho-N-palmitoylethanolamine
Glycerophospho-N-palmitoyl ethanolamine
ME605407
-
-
-
454.29196
1-Palmitoyl-2-hydroxy-sn-glycero-3-phosphoethanola...
LPE 16:0/0:0
ME605246
-
-
-
454.29208
2-Methyl-4-oxo-4H-pyran-3-yl 6-O-(4-carboxy-3-hydr...
-
ME605258
-
-
-
455.11609
6''-O-Acetyldaidzin
-
ME605278
-
-
-
459.12808
Wogonoside
-
ME605669
-
-
-
461.10645
1-Myristoyl-sn-glycero-3-phosphocholine
LPC 14:0/0:0
ME605240
-
-
-
468.30759
1-Oleoyl-sn-glycero-3-phosphoethanolamine
LPE 18:1/0:0
ME605244
-
-
-
480.30814
1-(1Z-Hexadecenyl)-sn-glycero-3-phosphocholine
LPC P-16:0 or LPC O-16:1
ME605228
-
-
-
480.34412
1-Pentadecanoyl-sn-glycero-3-phosphocholine
LPC 15:0/0:0
ME605249
-
-
-
482.31818
1-Stearoyl-2-hydroxy-sn-glycero-3-phosphoethanolam...
LPE 18:0/0:0
ME605251
-
-
-
482.32315
1-Hexadecyl-sn-glycero-3-phosphocholine
LPC O-16:0
ME605234
-
-
-
482.36493
lysoPC 16:1
LPC 16:1
ME605686
-
-
-
494.32364
1-Palmitoyl-sn-glycero-3-phosphocholine
LPA 16:0/0:0
ME605248
-
-
-
496.33856
Tauroursodeoxycholic acid
Tauroursodeoxycholic acid
ME605617
-
-
-
500.30249
3alpha,6alpha-Mannotriose
-
ME605265
-
-
-
505.17429
Maltotriose
Maltotriose
ME605491
-
-
-
505.1748
1-(1Z-Octadecenyl)-sn-glycero-3-phosphocholine
LPC P-18:0 or LPC O-18:1
ME605229
-
-
-
508.37927
1-Heptadecanoyl-sn-glycero-3-phosphocholine
LPC 17:0/0:0
ME605232
-
-
-
510.35291
Taurocholic acid
Taurocholic acid
ME605616
-
-
-
516.29773
lysoPC 18:2
LPC 18:2
ME605687
-
-
-
520.33838
1-Oleoyl-sn-glycero-3-phosphocholine
LPC 18:1/0:0
ME605243
-
-
-
522.354
1-Stearoyl-2-hydroxy-sn-glycero-3-phosphocholine
LPC 18:0/0:0
ME605250
-
-
-
524.36932
Melezitose
Melezitose
ME605492
-
-
-
527.15765
lysoPC 19:0
LPC 19:0
ME605688
-
-
-
538.38422
lysoPC 20:2
LPC 20:2
ME605690
-
-
-
548.36945
lysoPC 20:1
LPC 20:1
ME605689
-
-
-
550.38586
1-O-Hexadecyl-2-O-(2E-butenoyl)-sn-glyceryl-3-phos...
-
ME605241
-
-
-
550.38739
1-Arachidoyl-2-hydroxy-sn-glycero-3-phosphocholine
LPC 20:4/0:0
ME605231
-
-
-
552.40338
lysoPC 22:6
LPC 22:6
ME605692
-
-
-
568.33807
lysoPC 22:1
LPC 22:1
ME605691
-
-
-
578.41693
Biliverdin
Biliverdin
ME605347
-
-
-
583.25262
Kaempferol-3-O-rutinoside
Kaempferol-3-O-rutinoside
ME605454
-
-
-
595.16486
lysoPC 24:1
LPC 24:1
ME605693
-
-
-
606.44788
Diosmin
Diosmin
ME605364
-
-
-
609.18036
Urea
Urea
ME605650
-
-
-
61.04
Ethanolamine
Ethanolamine
ME605366
-
-
-
62.0605
Demethoxycentaureidin 7-O-rutinoside
-
ME605363
-
-
-
639.19116
coproporphyrin iii
Coproporphyrin III
ME605675
-
-
-
655.2757
3alpha,4beta,3alpha-Galactotetraose
-
ME605264
-
-
-
689.21027
1-Oleoyl-2-myristoyl-sn-glycero-3-phosphocholine
-
ME605242
-
-
-
732.55225
Methylguanidine
Methylguanidine
ME605236
-
-
-
74.07166
1-Hexadecanoyl-2-octadecadienoyl-sn-glycero-3-phos...
PC 16:0/18:2
ME605233
-
-
-
758.56799
1-Palmitoyl-2-linoleoyl-sn-glycero-3-phosphocholin...
PC 16:0/18:2
ME605247
-
-
-
758.5686
TMAO
Trimethylamine N-oxide
ME605611
-
-
-
76.07604
Palmitoyleicosapentaenoyl phosphatidylcholine
-
ME605540
-
-
-
780.55359
1,2-Dilinoleoyl-sn-glycero-3-phosphocholine
-
ME605225
-
-
-
782.56866
1,2-dioleoyl-sn-glycero-3-phosphatidylcholine
PC 18:1/18:1
ME605226
-
-
-
786.5979
1-Palmitoyl-2-docosahexaenoyl-sn-glycero-3-phospho...
PC 16:0/22:6
ME605245
-
-
-
806.56897
Putrescine
Putrescine
ME605578
-
-
-
89.10746
Sarcosine
Sarcosine
ME605590
-
-
-
90.0551
Alanine
Alanine
ME605311
-
-
-
90.05512
Analysis: HILIC NEGATIVE ION MODE
Select
Metabolite Name
RefMet Name/Standardized Name*
WorkBenchMetabolite_ID
PubChemCompound_ID
Kegg Id
Retentiontime/index
m/z ratio
3-Hydroxybutyric acid
3-Hydroxybutyric acid
ME605725
-
-
-
103.03896
Serine
Serine
ME605986
-
-
-
104.03416
Hypotaurine
Hypotaurine
ME605856
-
-
-
108.01137
Uracil
Uracil
ME606016
-
-
-
111.01888
4,6-Dihydroxypyrimidine
-
ME605731
-
-
-
111.01897
Creatinine
Creatinine
ME605794
-
-
-
112.05062
Fumaric acid
Fumaric acid
ME605811
-
-
-
115.0026
Succinic acid
Succinic acid
ME605988
-
-
-
117.01817
Threonine
Threonine
ME606004
-
-
-
118.0498
Purine
Purine
ME605967
-
-
-
119.03508
4-Hydroxybenzaldehyde
4-Hydroxybenzaldehyde
ME605736
-
-
-
121.02833
Taurine
Taurine
ME605993
-
-
-
124.00624
4-Hydroxy-6-methyl-2-pyrone
-
ME605735
-
-
-
125.02332
2-methylmaleic acid/citraconic acid
-
ME605723
-
-
-
129.0183
N-Acetyl-alanine
N-Acetylalanine
ME605909
-
-
-
130.04987
TRANS-4-HYDROXYPROLINE
trans-4-Hydroxyproline
ME605992
-
-
-
130.04993
Isoleucine
Isoleucine
ME605864
-
-
-
130.08624
Leucine
Leucine
ME605886
-
-
-
130.08626
Glutaric acid
Glutaric acid
ME605830
-
-
-
131.03394
Gly-Gly
Gly-Gly
ME605835
-
-
-
131.0451
Asparagine
Asparagine
ME605782
-
-
-
131.04512
2-Hydroxy-4-methylpentanoic acid
Leucinic acid
ME605717
-
-
-
131.0703
Aspartic acid
Aspartic acid
ME605783
-
-
-
132.0291
Malic acid
Malic acid
ME605890
-
-
-
133.01317
Adenine
Adenine
ME605744
-
-
-
134.04613
Threonic acid
Threonic acid
ME606003
-
-
-
135.02879
Hypoxanthine
Hypoxanthine
ME605857
-
-
-
135.03012
UROCANATE
Urocanic acid
ME606015
-
-
-
137.03452
Sulfoacetic acid
Sulfoacetic acid
ME605990
-
-
-
138.96959
2-Hydroxyquinoline
2-Hydroxyquinoline
ME605720
-
-
-
144.04433
4-Acetamidobutyric acid
4-Acetamidobutanoic acid
ME605733
-
-
-
144.06561
4-Guanidinobutyric acid
4-Guanidinobutanoic acid
ME605734
-
-
-
144.07672
2-Methylglutaric acid
2-Methylglutaric acid
ME605722
-
-
-
145.04965
Glutamine
Glutamine
ME605829
-
-
-
145.06076
Lysine
Lysine
ME605889
-
-
-
145.09718
Glutamic acid
Glutamic acid
ME605828
-
-
-
146.04474
N-Acetylserine
N-Acetylserine
ME605920
-
-
-
146.04478
2-Hydroxyglutaric acid
2-Hydroxyglutaric acid
ME605868
-
-
-
147.02882
3-Hydroxyglutaric acid
3-Hydroxyglutaric acid
ME605726
-
-
-
147.02887
Methionine
Methionine
ME605902
-
-
-
148.04259
Guanine
Guanine
ME605844
-
-
-
150.04111
Xanthine
Xanthine
ME606034
-
-
-
151.02505
Vanillin
Vanillin
ME606031
-
-
-
151.03883
Arabitol
Arabitol
ME605759
-
-
-
151.05998
Adonitol
Ribitol
ME605745
-
-
-
151.06012
L-Cysteinesulfinic acid
3-Sulfino-alanine
ME605870
-
-
-
152.00127
Gentisinic acid
Gentisic acid
ME605815
-
-
-
153.01808
Histidine
Histidine
ME605853
-
-
-
154.06114
Orotic acid
Orotic acid
ME605934
-
-
-
155.00887
Allantoin
Allantoin
ME605758
-
-
-
157.03563
N-Acetyl-DL-valine
-
ME605908
-
-
-
158.08133
Pimelic acid
Pimelic acid
ME605953
-
-
-
159.06523
Ala-Ala
Ala-Ala
ME605746
-
-
-
159.07661
N-Methylglutamic acid
N-Methyl-glutamic acid
ME605926
-
-
-
160.06056
Gly-Ser
Gly-Ser
ME605840
-
-
-
161.05606
Ser-Gly
Ser-Gly
ME605977
-
-
-
161.05611
delta-Hydroxylysine
5-Hydroxylysine
ME606038
-
-
-
161.09253
5-Hydroxy-3,4-dihydro-2(1H)-quinolinone
-
ME605741
-
-
-
162.05505
2-Hydroxycinnamic acid
trans-o-Coumaric acid
ME605718
-
-
-
163.03905
Methionine sulfoxide
Methionine sulfoxide
ME605903
-
-
-
164.03769
Phenylalanine
Phenylalanine
ME605950
-
-
-
164.0706
Phthalic acid
Phthalic acid
ME605952
-
-
-
165.0183
3-Phenyllactic acid
Phenyllactic acid
ME605730
-
-
-
165.05475
L-Fucitol
Fucitol
ME605871
-
-
-
165.07593
Homogentisic acid
Homogentisic acid
ME605854
-
-
-
167.034
Cysteic acid
Cysteic acid
ME605795
-
-
-
167.99634
1,4-Cyclohexanedicarboxylic acid
-
ME605697
-
-
-
171.06516
Pro-Gly
Pro-Gly
ME605957
-
-
-
171.07657
4-Hydroxyquinoline-2-carbaldehyde
-
ME605739
-
-
-
172.03944
N-Acetylleucine
N-Acetylleucine
ME605917
-
-
-
172.09689
DL-Isocitric acid lactone
-
ME605800
-
-
-
173.0081
L-Dehydroascorbic acid
L-Dehydroascorbic acid
ME605806
-
-
-
173.00827
suberic acid
Suberic acid
ME606066
-
-
-
173.08096
Gly-Val
Gly-Val
ME605843
-
-
-
173.09219
N-Acetylornithine
N-Acetylornithine
ME605929
-
-
-
173.09219
Arginine
Arginine
ME605760
-
-
-
173.10324
N-Acetylaspartic acid
N-Acetylaspartic acid
ME605913
-
-
-
174.03993
N-Carboxyethyl-gamma-aminobutyric acid
N-Carboxyethyl-gamma-aminobutyric acid
ME605923
-
-
-
174.07616
Citrulline
Citrulline
ME605793
-
-
-
174.08743
Carbamoyl-DL-aspartic acid
-
ME605788
-
-
-
175.03551
Gly-Thr
Gly-Thr
ME605841
-
-
-
175.07149
N-Formylmethionine
N-Formylmethionine
ME605925
-
-
-
176.03793
4-Hydroxyphenylpyruvic acid
4-Hydroxyphenylpyruvic acid
ME605738
-
-
-
179.03389
Caffeic acid
Caffeic acid
ME605787
-
-
-
179.03404
Mannose
Mannose
ME605892
-
-
-
179.05521
DL-o-Tyrosine
-
ME605802
-
-
-
180.06566
1-Methyluric acid
1-Methyluric acid
ME605701
-
-
-
181.03569
4-Hydroxyphenyllactic acid
4-Hydroxyphenyllactic acid
ME605737
-
-
-
181.04973
3,4-Dihydroxyhydrocinnamic acid
3,4-Dihydroxyhydrocinnamic acid
ME605724
-
-
-
181.04974
galactitol
Galactitol
ME606039
-
-
-
181.07066
4-Pyridoxic acid
4-Pyridoxic acid
ME605740
-
-
-
182.04495
Pro-Ala
Pro-Ala
ME605954
-
-
-
185.09222
Azelaic acid
Azelaic acid
ME605784
-
-
-
187.09656
Gly-Ile
Gly-Ile
ME605836
-
-
-
187.10793
N6-Acetyllysine
N6-Acetyllysine
ME605930
-
-
-
187.10796
N-Acetyl-glutamic acid
N-Acetylglutamic acid
ME605910
-
-
-
188.05551
Gly-Asn
Gly-Asn
ME605832
-
-
-
188.06702
(-)-Hydroxycitric acid lactone
-
ME605695
-
-
-
189.00293
Gly-Asp
Gly-Asp
ME605833
-
-
-
189.05075
Ala-Thr
Ala-Thr
ME605755
-
-
-
189.0872
Thr-Ala
Thr-Ala
ME605994
-
-
-
189.08728
5-Hydroxy-3-indoleacetic acid
5-Hydroxyindoleacetic acid
ME605742
-
-
-
190.0499
(2-oxo-2,3-dihydro-1H-indol-3-yl)acetic acid
2-Oxindole-3-acetate
ME605696
-
-
-
190.04996
N-ACETYL-DL-METHIONINE
N-Acetylmethionine
ME605905
-
-
-
190.05342
Citric acid
Citric acid
ME605792
-
-
-
191.01888
Quinic acid
Quinic acid
ME605968
-
-
-
191.05518
Ser-Ser
Ser-Ser
ME605982
-
-
-
191.06657
2-Ketogluconic acid
-
ME605721
-
-
-
193.03445
Glucuronic acid
Glucuronic acid
ME605827
-
-
-
193.03455
Ferulic acid
trans-Ferulic acid
ME605809
-
-
-
193.0498
3-Hydroxyhippuric acid
3-Hydroxyhippuric acid
ME605727
-
-
-
194.045
N-Acetylhistidine
N-Acetylhistidine
ME605916
-
-
-
196.07198
S-Sulfocysteine
Cysteine-S-sulfate
ME605970
-
-
-
199.96844
Pro-Ser
Pro-Ser
ME605962
-
-
-
201.08725
Sebacic acid
Sebacic acid
ME605973
-
-
-
201.11237
Ala-Leu
Ala-Leu
ME605752
-
-
-
201.12355
Ala-Ile
Ala-Ile
ME605751
-
-
-
201.1237
Dimethylarginine
Dimethylarginine
ME605904
-
-
-
201.13525
Asn-Ala
Asn-Ala
ME605761
-
-
-
202.08272
Gly-Lys
Gly-Lys
ME605837
-
-
-
202.11888
Asp-Ala
Asp-Ala
ME605767
-
-
-
203.06648
Ala-Asp
Ala-Asp
ME605748
-
-
-
203.06659
Gly-Glu
Gly-Glu
ME605834
-
-
-
203.0666
Tryptophan
Tryptophan
ME606009
-
-
-
203.08171
Val-Ser
Val-Ser
ME606027
-
-
-
203.10283
Ser-Val
Ser-Val
ME605985
-
-
-
203.10292
N-Cinnamoylglycine
Cinnamoylglycine
ME605924
-
-
-
204.0658
Ser-Thr
Ser-Thr
ME605983
-
-
-
205.08228
N-Acetylphenylalanine
N-Acetylphenylalanine
ME605911
-
-
-
206.08173
D-SACCHARIC ACID
Glucaric acid
ME605799
-
-
-
209.02942
Pro-Val
Pro-Val
ME605964
-
-
-
213.12369
2-Benzothiazolesulfonic acid
-
ME605715
-
-
-
213.96231
3-Oxo-1,8-octanedicarboxylic acid
-
ME605729
-
-
-
215.09169
Pro-Thr
Pro-Thr
ME605963
-
-
-
215.10287
Val-Val
Val-Val
ME606030
-
-
-
215.13939
Gln-Ala
Gln-Ala
ME605816
-
-
-
216.09825
Ala-Lys
Ala-Lys
ME605753
-
-
-
216.13449
Ala-Glu
Ala-Glu
ME605749
-
-
-
217.08221
Glu-Ala
Glu-Ala
ME605821
-
-
-
217.08228
Thr-Val
Thr-Val
ME606001
-
-
-
217.11852
Leu-Ser
Leu-Ser
ME605882
-
-
-
217.11865
Val-Thr
Val-Thr
ME606028
-
-
-
217.11873
Asn-Ser
Asn-Ser
ME605764
-
-
-
218.07791
Pantothenic acid
Pantothenic acid
ME605939
-
-
-
218.10258
Asp-Ser
Asp-Ser
ME605778
-
-
-
219.06157
Ser-Asp
Ser-Asp
ME605974
-
-
-
219.06174
Thr-Thr
Thr-Thr
ME606000
-
-
-
219.09793
N-Acetyl-mannosamine
N-Acetyl-mannosamine
ME605918
-
-
-
220.08218
Gly-Phe
Gly-Phe
ME605838
-
-
-
221.09233
Phe-Gly
Phe-Gly
ME605943
-
-
-
221.09233
N-Acetyltyrosine
N-Acetyltyrosine
ME605912
-
-
-
222.07639
N-Acetyl-D-galactosaminitol
N-Acetylgalactosaminitol
ME605907
-
-
-
222.09779
Sinapic acid
Sinapic acid
ME605987
-
-
-
223.06047
Ala-His
Ala-His
ME605750
-
-
-
225.09833
His-Ala
His-Ala
ME605847
-
-
-
225.09834
2'-Deoxycytidine
Deoxycytidine
ME605711
-
-
-
226.08246
Deoxyuridine
Deoxyuridine
ME605716
-
-
-
227.06668
Proline-hydroxyproline
Pro-hydroxyPro
ME605965
-
-
-
227.103
trans-Traumatic acid
Traumatic acid
ME606067
-
-
-
227.12801
Pro-Leu
Pro-Leu
ME605959
-
-
-
227.13945
Pro-Ile
Pro-Ile
ME605958
-
-
-
227.13954
Pro-Asp
Pro-Asp
ME605955
-
-
-
229.08234
Asp-Pro
Asp-Pro
ME605777
-
-
-
229.08237
Dodecanedioic acid
Dodecanedioic acid
ME605808
-
-
-
229.14375
Val-Leu
Val-Leu
ME606023
-
-
-
229.15498
DL-Leu-DL-Val
-
ME605801
-
-
-
229.15503
Asn-Val
Asn-Val
ME605766
-
-
-
230.11403
Gly-Arg
Gly-Arg
ME605831
-
-
-
230.125
Val-Asp
Val-Asp
ME606019
-
-
-
231.09787
Leu-Thr
Leu-Thr
ME605883
-
-
-
231.13446
Ser-Gln
Ser-Gln
ME605975
-
-
-
232.09322
Asn-Thr
Asn-Thr
ME605765
-
-
-
232.09331
Gln-Ser
Gln-Ser
ME605818
-
-
-
232.09334
Ser-Lys
Ser-Lys
ME605980
-
-
-
232.12955
Asp-Thr
Asp-Thr
ME605779
-
-
-
233.07718
Thr-Asp
Thr-Asp
ME605995
-
-
-
233.07724
Ser-Glu
Ser-Glu
ME605976
-
-
-
233.07735
Glu-Ser
Glu-Ser
ME605825
-
-
-
233.07739
Met-Ser
Met-Ser
ME605899
-
-
-
235.07494
Ser-Met
Ser-Met
ME605981
-
-
-
235.07524
Ala-Phe
Ala-Phe
ME605754
-
-
-
235.10809
Phe-Ala
Phe-Ala
ME605940
-
-
-
235.10823
Gly-Tyr
Gly-Tyr
ME605842
-
-
-
237.08701
4-(2-Hydroxyethyl)piperazine-1-ethanesulfonic acid
-
ME605732
-
-
-
237.09081
Cystine
Cystine
ME605796
-
-
-
239.01579
Thymidine
Thymidine
ME606005
-
-
-
241.08215
Ser-His
Ser-His
ME605979
-
-
-
241.09361
Cytidine
Cytidine
ME605797
-
-
-
242.07753
Gly-Pro-Ala
Gly-Pro-Ala
ME605839
-
-
-
242.11424
Uridine
Uridine
ME606017
-
-
-
243.06154
Pseudouridine
Pseudouridine
ME605966
-
-
-
243.06155
Pro-Glu
Pro-Glu
ME605956
-
-
-
243.09787
Leu-Ile
Leu-Ile
ME605880
-
-
-
243.17081
Gln-Val
Gln-Val
ME605820
-
-
-
244.12978
Ala-Arg
Ala-Arg
ME605747
-
-
-
244.14119
Lys-Val
Lys-Val
ME605888
-
-
-
244.16573
Val-Lys
Val-Lys
ME606024
-
-
-
244.16589
N-Acetyl-tryptophan
N-Acetyl-tryptophan
ME605921
-
-
-
245.0925
Pro-Met
Pro-Met
ME605960
-
-
-
245.09615
Leu-Asp
Leu-Asp
ME605876
-
-
-
245.11334
Asp-Leu
Asp-Leu
ME605775
-
-
-
245.11374
Val-Glu
Val-Glu
ME606020
-
-
-
245.11404
Asp-Asn
Asp-Asn
ME605769
-
-
-
246.07254
Asn-Asp
Asn-Asp
ME605762
-
-
-
246.07274
Gln-Thr
Gln-Thr
ME605819
-
-
-
246.10905
Asp-Asp
Asp-Asp
ME605770
-
-
-
247.05647
Glu-Thr
Glu-Thr
ME605826
-
-
-
247.09297
Thr-Glu
Thr-Glu
ME605996
-
-
-
247.09299
Met-Val
Met-Val
ME605901
-
-
-
247.11169
Val-Met
Val-Met
ME606025
-
-
-
247.11201
Ser-Gly-Ser
Ser-Gly-Ser
ME605978
-
-
-
248.08806
Met-Thr
Met-Thr
ME605900
-
-
-
249.0909
Phe-Ser
Phe-Ser
ME605947
-
-
-
251.10318
Daidzein
Daidzein
ME605803
-
-
-
253.0502
Val-His
Val-His
ME606022
-
-
-
253.13014
His-Thr
His-Thr
ME605852
-
-
-
255.10918
Thr-His
Thr-His
ME605998
-
-
-
255.10921
2'-O-Methylcytidine
2'-O-Methylcytidine
ME605712
-
-
-
256.09402
2'-O-Methyluridine
2'-O-Methyluridine
ME605714
-
-
-
257.07767
Ribothymidine
Ribothymidine
ME605743
-
-
-
257.07797
Leu-Gln
Leu-Gln
ME605877
-
-
-
258.14542
Gln-Leu
Gln-Leu
ME605817
-
-
-
258.14545
Ile-Lys
Ile-Lys
ME605860
-
-
-
258.18176
Leu-Lys
Leu-Lys
ME605881
-
-
-
258.18185
Asn-Gln
Asn-Gln
ME605763
-
-
-
259.10452
Leu-Glu
Leu-Glu
ME605878
-
-
-
259.12924
Glu-Leu
Glu-Leu
ME605823
-
-
-
259.12936
gamma-Glutamylleucine
gamma-Glutamylleucine
ME606041
-
-
-
259.12943
Asp-Gln
Asp-Gln
ME605771
-
-
-
260.08832
alpha-Asp-Lys
-
ME606036
-
-
-
260.1246
Homovanillic acid sulfate
-
ME605855
-
-
-
261.0069
alpha-Glu-Asp
-
ME606037
-
-
-
261.07169
Asp-Glu
Asp-Glu
ME605772
-
-
-
261.07227
Pro-Phe
Pro-Phe
ME605961
-
-
-
261.1236
Ile-Met
Ile-Met
ME605861
-
-
-
261.12692
Met-Ile
Met-Ile
ME605897
-
-
-
261.1275
3-Methoxy-4-hydroxyphenylglycol sulfate
-
ME605728
-
-
-
263.02271
Met-Asp
Met-Asp
ME605895
-
-
-
263.07022
Phe-Val
Phe-Val
ME605949
-
-
-
263.13974
Val-Phe
Val-Phe
ME606026
-
-
-
263.14005
Thr-Phe
Thr-Phe
ME605999
-
-
-
265.1189
Phe-Thr
Phe-Thr
ME605948
-
-
-
265.11899
C12-AS
-
ME605786
-
-
-
265.14752
Formononetine
-
ME605810
-
-
-
267.06625
Inosine
Inosine
ME605863
-
-
-
267.07294
Ser-Tyr
Ser-Tyr
ME605984
-
-
-
267.0983
His-Leu
His-Leu
ME605851
-
-
-
267.14578
Leu-His
Leu-His
ME605879
-
-
-
267.14584
His-Asp
His-Asp
ME605848
-
-
-
269.08817
Asp-His
Asp-His
ME605774
-
-
-
269.08853
2-Hydroxy palmitic acid
2-Hydroxypalmitic acid
ME605719
-
-
-
271.22726
16-Hydroxyhexadecanoic acid
Juniperic acid
ME605710
-
-
-
271.22745
Val-Gly-Val
Val-Gly-Val
ME606021
-
-
-
272.16122
Val-Arg
Val-Arg
ME606018
-
-
-
272.17233
gamma-Glutamylglutamine
gamma-Glutamylglutamine
ME606040
-
-
-
274.10394
Glu-Lys
Glu-Lys
ME605824
-
-
-
274.14035
L-gamma-Glutamyl-glutamic acid
-
ME605873
-
-
-
275.08801
L-Saccharopine
Saccharopine
ME605872
-
-
-
275.1225
Met-Gln
Met-Gln
ME605896
-
-
-
276.10208
Thr-Gly-Thr
Thr-Gly-Thr
ME605997
-
-
-
276.11969
gamma-Glutamylmethionine
gamma-Glutamylmethionine
ME606042
-
-
-
277.08655
Ile-Phe
Ile-Phe
ME605862
-
-
-
277.15475
Phe-Leu
Phe-Leu
ME605944
-
-
-
277.15512
Met-Met
Met-Met
ME605898
-
-
-
279.08411
Phe-Asp
Phe-Asp
ME605941
-
-
-
279.09787
Asp-Phe
Asp-Phe
ME605776
-
-
-
279.09808
Val-Tyr
Val-Tyr
ME606029
-
-
-
279.13443
Tyr-Val
Tyr-Val
ME606014
-
-
-
279.13461
2'-O-Methylinosine
-
ME605713
-
-
-
281.08878
Tyr-Thr
Tyr-Thr
ME606013
-
-
-
281.11401
Guanosine
Guanosine
ME605845
-
-
-
282.08395
His-Gln
His-Gln
ME605849
-
-
-
282.12033
Xanthosine
Xanthosine
ME606035
-
-
-
283.06815
Glu-His
Glu-His
ME605822
-
-
-
283.10419
His-Glu
His-Glu
ME605850
-
-
-
283.10428
Hexadecanedioic acid
Hexadecanedioic acid
ME605846
-
-
-
285.20621
Leu-Arg
Leu-Arg
ME605875
-
-
-
286.18805
Ile-Arg
Ile-Arg
ME605858
-
-
-
286.18814
Asp-Arg
Asp-Arg
ME605768
-
-
-
288.13083
Phe-Lys
Phe-Lys
ME605945
-
-
-
292.16641
Phe-Glu
Phe-Glu
ME605942
-
-
-
293.11392
Leu-Tyr
Leu-Tyr
ME605885
-
-
-
293.15005
Tyr-Leu
Tyr-Leu
ME606012
-
-
-
293.15033
13S-Hydroxy-9Z,11E,15Z-octadecatrienoic acid
13S-HOTrE
ME605708
-
-
-
293.21164
Tyr-Asp
Tyr-Asp
ME606010
-
-
-
295.09274
Asp-Tyr
Asp-Tyr
ME605781
-
-
-
295.09464
13-Hydroxy-9Z,11E-octadecadienoic acid
Coriolic acid
ME605707
-
-
-
295.22702
1-Methylguanosine
1-Methylguanosine
ME605700
-
-
-
296.09924
N-Acetyl-D-galactosamine 4-sulfate
-
ME605906
-
-
-
300.03735
Ile-Gly-Ile
Ile-Gly-Ile
ME605859
-
-
-
300.19223
Trp-Val
Trp-Val
ME606008
-
-
-
302.1507
N-Acetylaspartylglutamic acid
N-Acetyl-Asp-Glu
ME605914
-
-
-
303.08289
Aleuritic acid
-
ME605757
-
-
-
303.21707
Asp-Gly-Asp
Asp-Gly-Asp
ME605773
-
-
-
304.07672
Trp-Thr
Trp-Thr
ME606007
-
-
-
304.12988
N-Acetylneuraminic acid
N-Acetylneuraminic acid
ME605919
-
-
-
308.09875
gamma-Glutamyltyrosine
gamma-Glutamyltyrosine
ME606043
-
-
-
309.10892
Tyr-Glu
Tyr-Glu
ME606011
-
-
-
309.10901
N2,N2-Dimethylguanosine
N2,N2-Dimethylguanosine
ME605931
-
-
-
310.11542
Phe-Phe
Phe-Phe
ME605946
-
-
-
311.13934
Leu-Trp
Leu-Trp
ME605884
-
-
-
316.16574
Trp-Leu
Trp-Leu
ME606006
-
-
-
316.16602
Asp-Trp
Asp-Trp
ME605780
-
-
-
318.10922
12R-Hydroxy-5Z,8Z,10E,14Z-eicosatetraenoic acid
12R-HETE
ME605706
-
-
-
319.22717
Docosahexanoic acid
DHA
ME605807
-
-
-
327.23245
Thr-Val-Leu
Thr-Val-Leu
ME606002
-
-
-
330.20285
Daidzein 4'-sulfate
-
ME605804
-
-
-
333.00604
N-Acetylglucosaminylasparagine
Aspartylglycosamine
ME605915
-
-
-
334.12503
Linoleoylglycine
-
ME605887
-
-
-
336.25385
N-Oleoylglycine
N-Oleoyl glycine
ME605928
-
-
-
338.26956
Melibiose
Melibiose
ME605894
-
-
-
341.10815
Galactinol
Galactinol
ME605812
-
-
-
341.10818
Palatinose
Palatinose
ME605937
-
-
-
341.10837
Sucrose
Sucrose
ME605989
-
-
-
341.10867
Lactitol
Lactitol
ME605874
-
-
-
343.1236
14-Hydroxy-4Z,7Z,10Z,12E,16Z,19Z-docosahexaenoic a...
14-HDoHE
ME605709
-
-
-
343.22729
N-Oleoyl-serine
NASer 18:1(9Z)
ME605927
-
-
-
368.27991
N-Arachidonoyl-alanine
-
ME605922
-
-
-
374.26904
Palatinose1
Palatinose
ME605938
-
-
-
377.08347
D-(+)-Trehalose
Trehalose
ME605798
-
-
-
387.11356
Isomaltose
Isomaltose
ME605865
-
-
-
387.11362
Cholic acid
Cholic acid
ME605791
-
-
-
407.28033
Daidzin
Daidzin
ME605805
-
-
-
415.10226
L-Cysteine-glutathione disulfide
S-Glutathionyl-cysteine
ME605869
-
-
-
425.07999
Genistin
-
ME605813
-
-
-
431.0972
Isovitexin
Isovitexin
ME605867
-
-
-
431.09763
Baicalin
Baicalin
ME605785
-
-
-
445.07687
Swertisin
-
ME605991
-
-
-
445.11292
Naringenin-4'-O-beta-D-glucuronide
-
ME605932
-
-
-
447.09259
lysoPE 16:1
LPE 16:1
ME606056
-
-
-
450.26202
lysoPE 16:0
LPE 16:0
ME606055
-
-
-
452.27747
Wogonoside
-
ME606033
-
-
-
459.0925
Cholesterol 3-sulfate
Cholesterol sulfate
ME605790
-
-
-
465.30331
lysoPE 18:3
LPE 18:3
ME606060
-
-
-
474.2623
lysoPE 18:2
LPE 18:2
ME606059
-
-
-
476.27722
lysoPE 18:1
LPE 18:1
ME606058
-
-
-
478.29272
lysoPE 18:0
LPE 18:0
ME606057
-
-
-
480.30853
1-Palmitoyl-2-hydroxy-sn-glycero-3-phospho-(1'-rac...
-
ME605704
-
-
-
483.27219
lysoPE 20:4
LPE 20:4
ME606064
-
-
-
500.27829
lysoPE 20:3
LPE 20:3
ME606063
-
-
-
502.29312
Gentianose
-
ME605814
-
-
-
503.1601
Raffinose
Raffinose
ME605969
-
-
-
503.16043
Melezitose
Melezitose
ME605893
-
-
-
503.16086
Manninotriose
-
ME605891
-
-
-
503.16122
lysoPE 20:2
LPE 20:2
ME606062
-
-
-
504.3093
lysoPE 20:1
LPE 20:1
ME606061
-
-
-
506.32468
1-Oleoyl-2-hydroxy-sn-glycero-3-phospho-(1'-rac-gl...
-
ME605703
-
-
-
509.28802
1-Myristoyl-sn-glycero-3-phosphocholine
LPC 14:0/0:0
ME605702
-
-
-
512.29828
lysoPE 22:6
LPE 22:6
ME606065
-
-
-
524.27783
1-(1Z-Hexadecenyl)-sn-glycero-3-phosphocholine
LPC P-16:0 or LPC O-16:1
ME605698
-
-
-
524.33533
lysoPC 16:1
LPC 16:1
ME606046
-
-
-
538.31427
1-Kestose
1-Kestose
ME605699
-
-
-
539.13647
lysoPC 16:0
LPC 16:0
ME606045
-
-
-
540.32983
lysoPC 18:3
LPC 18:3
ME606049
-
-
-
562.31445
Isoschaftoside
-
ME605866
-
-
-
563.1402
lysoPC 18:2
LPC 18:2
ME606048
-
-
-
564.32953
lysoPC 18:1
LPC 18:1
ME606047
-
-
-
566.34509
Chenodeoxycholic acid 24-acyl-beta-D-glucuronide
-
ME605789
-
-
-
567.31793
1-Stearoyl-2-hydroxy-sn-glycero-3-phosphocholine
LPC 18:0/0:0
ME605705
-
-
-
568.3606
lysoPC 20:5
LPC 20:5
ME606054
-
-
-
586.31091
lysoPC 20:4
LPC 20:4
ME606053
-
-
-
588.33081
lysoPC 20:3
LPC 20:3
ME606052
-
-
-
590.34613
lysoPC 20:2
LPC 20:2
ME606051
-
-
-
592.36072
lysoPC 20:1
LPC 20:1
ME606050
-
-
-
594.37756
Neodiosmin
-
ME605933
-
-
-
607.1665
STACHYOSE
Stachyose
ME605971
-
-
-
665.21362
PG 40:8
PG 40:8
ME605935
-
-
-
817.50323
Verbascose
Verbascose
ME606032
-
-
-
827.26703
PG 44:12
PG 44:12
ME605936
-
-
-
865.50262
Alanine
Alanine
ME605756
-
-
-
88.03927
Sarcosine
Sarcosine
ME605972
-
-
-
88.03931
lactic acid
Lactic acid
ME606044
-
-
-
89.02325
Phosphoric acid
Phosphoric acid
ME605951
-
-
-
96.95889
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