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Return to study ST001179 main page
Analysis: None (Direct infusion) POSITIVE ION MODE
Select
Metabolite Name
RefMet Name/Standardized Name*
WorkBenchMetabolite_ID
PubChemCompound_ID
Kegg Id
Retentiontime/index
m/z ratio
1-Aminocyclopropane-1-carboxylic acid Homoserinela...
1-Aminocyclopropanecarboxylic acid
ME281467
-
C01234,
-
102.0545084
1-Methyladenosine
1-Methyladenosine
ME281563
-
C02494
-
282.1178988
1-Methylhistamine
1-Methylhistamine
ME281484
-
C05127
-
126.1027556
1-Methylnicotinamide
1-Methyl nicotinamide
ME281500
-
C02918
-
137.0712844
γ-Butyrobetaine
3-Dehydroxycarnitine
ME281506
-
C01181
-
146.117115
1-Methylhistidine 3-Methylhistidine
3-Methylhistidine
ME281523
-
, C01152
-
170.092493
4-Guanidinobutyric acid
4-Guanidinobutanoic acid
ME281504
-
C01035
-
146.0935383
5-Hydroxylysine
5-Hydroxylysine
ME281518
-
C16741
-
163.1075589
5'-Deoxy-5'-methylthioadenosine
5'-Methylthioadenosine
ME281566
-
C00170
-
298.094776
6-Aminohexanoic acid
6-Aminocaproic acid
ME281491
-
C02378
-
132.10277
Acetylcholine
Acetylcholine
ME281505
-
C01996
-
146.1169111
Adenine
Adenine
ME281498
-
C00147
-
136.06219
Adenosine
Adenosine
ME281560
-
C00212
-
268.104158
Ala
Alanine
ME281465
-
C00041,C00133,C01401
-
90.0551323
2-Aminoisobutyric acid 2-Aminobutyric acid
Aminoisobutyric acid
ME281468
-
C03665, C02261,C02356
-
104.0706811
Arg
Arginine
ME281525
-
C00062,C00792
-
175.11874
Argininosuccinic acid
Argininosuccinic acid
ME281565
-
C03406
-
291.130342
Asn
Asparagine
ME281492
-
C00152,C01905,C16438
-
133.060628
Asp
Aspartic acid
ME281496
-
C00049,C00402,C16433
-
134.04464
β-Ala
beta-Alanine
ME281463
-
C00099
-
90.0549846
Betaine
Betaine
ME281479
-
C00719
-
118.0862175
O-Acetylcarnitine
CAR 2:0
ME281541
-
C02571
-
204.122853
Butyrylcarnitine
CAR 4:0
ME281549
-
C02862
-
232.1542171
Isovalerylcarnitine
CAR 4:0;3Me
ME281554
-
-
-
246.1701
Malonylcarnitine
CAR DC3:0
ME281555
-
-
-
248.1136156
Carnitine
Carnitine
ME281517
-
C00318,C00487,C15025
-
162.112242
Carnosine
Carnosine
ME281547
-
C00386
-
227.113666
Choline
Choline
ME281471
-
C00114
-
104.1069429
Phosphorylcholine
Choline phosphate
ME281530
-
C00588
-
184.073002
Citrulline
Citrulline
ME281527
-
C00327
-
176.102808
Creatine
Creatine
ME281494
-
C00300
-
133.078773
Creatinine
Creatinine
ME281476
-
C00791
-
114.06632
Cystathionine
Cystathionine
ME281546
-
C00542,C02291
-
223.07475
Cytidine
Cytidine
ME281552
-
C00475
-
244.096415
2'-Deoxycytidine
Deoxycytidine
ME281548
-
C00881
-
228.098164
Diethanolamine
Diethanolamine
ME281473
-
C06772
-
106.0863056
Diethylaminomalonic acid
Diethyl aminomalonate
ME281526
-
-
-
176.090774
ADMA
Dimethylarginine
ME281538
-
C03626
-
203.148314
N,N-Dimethylglycine
Dimethylglycine
ME281470
-
C01026
-
104.07108
Dyphylline
Dyphylline
ME281557
-
C07819
-
255.106562
Ethanolamine
Ethanolamine
ME281457
-
C00189
-
62.0606717
4-Methylpyrazole
Fomepizole
ME281461
-
C07837
-
83.0626208
GABA
gamma-Aminobutyric acid
ME281469
-
C00334
-
104.0705853
Glu-Glu
Glu-Glu
ME281562
-
C01425
-
277.100505
trans-Glutaconic acid
Glutaconic acid
ME281487
-
C02214
-
131.034624
Glu
Glutamic acid
ME281511
-
C00025,C00217,C00302
-
148.059984
Gln
Glutamine
ME281508
-
C00064,C00303,C00819
-
147.076026
Glutathione (GSH)
Glutathione
ME281568
-
C00051
-
308.091128
Gly-Asp
Gly-Asp
ME281537
-
-
-
191.065304
Glycerol
Glycerol
ME281466
-
C00116
-
93.0545635
Gly
Glycine
ME281459
-
C00037
-
76.0396789
Gly-Gly
Gly-Gly
ME281493
-
C02037
-
133.06087
Guanosine
Guanosine
ME281564
-
C00387
-
284.0989144
Histamine
Histamine
ME281475
-
C00388
-
112.0869694
His
Histidine
ME281514
-
C00135,C00768,C06419
-
156.076682
Homocarnosine
Homocarnosine
ME281551
-
C00884
-
241.1292
Homocitrulline
Homocitrulline
ME281536
-
C02427
-
190.118356
Homoserine
Homoserine
ME281481
-
C00263
-
120.066084
Hydroxyproline
Hydroxyproline
ME281488
-
C01157
-
132.065588
Hypotaurine
Hypotaurine
ME281474
-
C00519
-
110.026783
Hypoxanthine
Hypoxanthine
ME281499
-
C00262
-
137.045873
Inosine
Inosine
ME281561
-
C00294
-
269.088197
Ile
Isoleucine
ME281490
-
C00407,C06418,C16434
-
132.101866
Leu
Leucine
ME281489
-
C00123,C01570,C16439
-
132.101254
Lys
Lysine
ME281509
-
C00047,C00739,C16440
-
147.11226
Met
Methionine
ME281512
-
C00073,C00855,C01733
-
150.058193
Methionine sulfoxide
Methionine sulfoxide
ME281520
-
C02989
-
166.052206
S-Methylcysteine
Methylcysteine
ME281497
-
-
-
136.0423289
N-Acetyllysine
N(2)-Acetyllysine
ME281533
-
C12989
-
189.1231733
N5-Ethylglutamine
N(5)-Ethyl-glutamine
ME281524
-
C01047
-
175.107052
Carboxymethyllysine
N(6)-Carboxymethyl-lysine
ME281543
-
-
-
205.118061
N6-Methyllysine
N(6)-Methyllysine
ME281515
-
C02728
-
161.128366
N6,N6,N6-Trimethyllysine
N-6-Trimethyllysine
ME281535
-
C03793
-
189.15928
N8-Acetylspermidine
N8-Acetylspermidine
ME281532
-
C01029
-
188.1766
Nicotinamide
Niacinamide
ME281482
-
C00153
-
123.0552519
Ornithine
Ornithine
ME281495
-
C00077,C00515,C01602
-
133.097215
Glutathione (GSSG)_divalent
Oxidized glutathione
ME281567
-
C00127
-
307.083178
Phe
Phenylalanine
ME281521
-
C00079,C02057,C02265
-
166.085607
Pipecolic acid
Pipecolic acid
ME281486
-
C00408
-
130.086101
Pro
Proline
ME281477
-
C00148,C00763,C16435
-
116.0706549
Putrescine
Putrescine
ME281462
-
C00134
-
89.1075815
Pyridoxamine 5'-phosphate
Pyridoxamine 5'-phosphate
ME281556
-
C00647
-
249.063564
S-Adenosylhomocysteine
S-Adenosylhomocysteine
ME281572
-
C00021
-
385.132064
S-Adenosylmethionine
S-Adenosylmethionine
ME281573
-
C00019
-
399.145569
Sarcosine
Sarcosine
ME281464
-
C00213
-
90.0551165
Ser
Serine
ME281472
-
C00065,C00716,C00740
-
106.0500344
Serotonin
Serotonin
ME281528
-
C00780
-
177.10251
Cysteine glutathione disulfide
S-Glutathionyl-cysteine
ME281574
-
C05526
-
427.099232
S-Lactoylglutathione
S-Lactoylglutathione
ME281571
-
C03451
-
380.112982
S-Methylmethionine
S-Methylmethionine
ME281519
-
C03172
-
164.07446
Glycerophosphocholine
sn-Glycero-3-phosphocholine
ME281558
-
C00670
-
258.110056
Spermidine
Spermidine
ME281507
-
C00315
-
146.165278
Spermine
Spermine
ME281540
-
C00750
-
203.223158
Stachydrine
Stachydrine
ME281503
-
C10172
-
144.101638
SDMA
Symmetric dimethylarginine
ME281539
-
-
-
203.1500367
Taurine
Taurine
ME281483
-
C00245
-
126.0216285
Taurocyamine
Taurocyamine
ME281522
-
C01959
-
168.04351
Thiamine
Thiamine
ME281559
-
C00378
-
265.11215
Thr
Threonine
ME281480
-
C00188,C00820
-
120.0654625
Triethanolamine
Triethanolamine
ME281513
-
C06771
-
150.1124333
Trigonelline
Trigonelline
ME281501
-
C01004
-
138.054761
Trimethylamine N-oxide
Trimethylamine N-oxide
ME281460
-
C01104
-
76.0757899
Trp
Tryptophan
ME281542
-
C00078,C00525,C00806
-
205.096902
Tyr
Tyrosine
ME281529
-
C00082,C01536,C06420
-
182.080898
Urea
Urea
ME281456
-
C00086
-
61.0405014
Uridine
Uridine
ME281553
-
C00299
-
245.0745613
Urocanic acid
Urocanic acid
ME281502
-
C00785
-
139.0498357
Val
Valine
ME281478
-
C00183,C06417,C16436
-
118.086152
2-(Creatinine-3-yl)propionic acid
-
ME281531
-
-
-
186.08904
Nω-Methylarginine
-
ME281534
-
-
-
189.134285
O-Acetylhomoserine 2-Aminoadipic acid
-
ME281516
-
C01077, C00956
-
162.075844
threo-β-Methylaspartic acid
-
ME281510
-
C03618
-
148.05963
β-Ala-Lys
-
ME281545
-
C05341
-
218.1499525
Analysis: None (Direct infusion) NEGATIVE ION MODE
Select
Metabolite Name
RefMet Name/Standardized Name*
WorkBenchMetabolite_ID
PubChemCompound_ID
Kegg Id
Retentiontime/index
m/z ratio
Isethionic acid
2-Hydroxyethanesulfonate
ME281582
-
C05123
-
124.9922302
2-Hydroxyglutaric acid
2-Hydroxyglutaric acid
ME281590
-
C02630,C01087,C03196
-
147.030441
2-Hydroxyisobutyric acid
2-Hydroxyisobutyric acid
ME281576
-
-
-
103.04019
2-Hydroxyvaleric acid
2-Hydroxyvaleric acid
ME281581
-
-
-
117.0565299
3-Hydroxybutyric acid
3-Hydroxybutyric acid
ME281577
-
C01089,C03197
-
103.0405668
ADP
ADP
ME281617
-
C00008
-
426.023398
ADP-ribose
ADP-ribose
ME281624
-
C00301
-
558.065307
ATP
ATP
ME281621
-
C00002
-
505.988969
Octanoic acid
Caprylic acid
ME281589
-
C06423
-
143.10783
Cholic acid
Cholic acid
ME281616
-
C00695
-
407.2817
Citric acid
Citric acid
ME281599
-
C00158
-
191.020598
CMP-N-acetylneuraminate
CMP-N-acetylneuraminic acid
ME281627
-
C00128
-
613.141508
CoA_divalent
Coenzyme A
ME281613
-
C00010
-
382.550225
CTP
CTP
ME281619
-
C00063
-
481.978473
Dihydroxyacetone phosphate
Dihydroxyacetone phosphate
ME281594
-
C00111
-
168.990849
FAD_divalent
FAD
ME281615
-
C00016
-
391.5717563
Fructose 1,6-diphosphate
Fructose 1,6-bisphosphate
ME281611
-
C00354
-
338.989064
Fructose 6-phosphate
Fructose 6-phosphate
ME281608
-
C05345,C00085
-
259.022628
Fumaric acid
Fumaric acid
ME281578
-
C00122
-
115.003679
Glucose 1-phosphate
Glucose 1-phosphate
ME281609
-
C00103
-
259.022714
Glucose 6-phosphate
Glucose 6-phosphate
ME281607
-
C00668,C01172,C00092
-
259.022507
GTP
GTP
ME281623
-
C00044
-
521.984277
IMP
IMP
ME281612
-
C00130
-
347.040347
2-Oxoisovaleric acid
Ketoisovaleric acid
ME281579
-
C00141
-
115.04068
4-Methyl-2-oxovaleric acid 3-Methyl-2-oxovaleric a...
Ketoleucine
ME281584
-
C00233, C00671,C03465
-
129.0555567
Lactic acid
Lactic acid
ME281575
-
C00186,C00256,C01432
-
89.0247784
Lauric acid
Lauric acid
ME281600
-
C02679
-
199.17045
Malic acid
Malic acid
ME281585
-
C00149,C00497,C00711
-
133.014858
N-Acetylaspartic acid
N-Acetylaspartic acid
ME281596
-
C01042
-
174.040382
NAD+
NAD
ME281628
-
C00003
-
662.103054
NADH
NADH
ME281629
-
C00004
-
664.1195267
NADP+
NADP
ME281630
-
C00006
-
742.068148
Pantothenic acid
Pantothenic acid
ME281602
-
C00864
-
218.103245
Pelargonic acid
Pelargonic acid
ME281591
-
C01601
-
157.124406
Phosphocreatine
Phosphocreatine
ME281601
-
C02305
-
210.028591
Ethanolamine phosphate
Phosphoethanolamine
ME281588
-
C00346
-
140.011914
PRPP
Phosphoribosyl pyrophosphate
ME281614
-
C00119
-
388.946735
5-Oxoproline
Pyroglutamic acid
ME281583
-
C01879
-
128.03589
Ribose 5-phosphate
Ribose 5-phosphate
ME281605
-
C00117
-
229.0127075
Ribulose 5-phosphate
Ribulose 5-phosphate
ME281604
-
C00199,C01101
-
229.012029
Glycerol 3-phosphate
sn-Glycero-3-phosphate
ME281595
-
C00093
-
171.006854
Succinic acid
Succinic acid
ME281580
-
C00042
-
117.0195006
Taurocholic acid
Taurocholic acid
ME281622
-
C05122
-
514.2893
Terephthalic acid
Terephthalic acid
ME281592
-
C06337
-
165.019325
Threonic acid
Threonic acid
ME281586
-
C01620
-
135.030485
UDP-N-acetylgalactosamine UDP-N-acetylglucosamine
UDP-N-acetylgalactosamine
ME281626
-
C00203, C00043
-
606.075897
Uric acid
Uric acid
ME281593
-
C00366
-
167.021505
UTP
UTP
ME281620
-
C00075
-
482.962009
Ascorbic acid
Vitamin C
ME281597
-
C00072
-
175.02504
myo-Inositol 1-phosphate myo-Inositol 3-phosphate
-
ME281610
-
C01177, C04006
-
259.022878
p-Toluic acid m-Toluic acid o-Toluic acid
-
ME281587
-
C01454, C07211, C07215
-
135.0456489
UDP-glucose UDP-galactose
-
ME281625
-
C00029, C00052
-
565.049469
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