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Return to study ST002539 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
Adenosyl Homocysteine
S-Adenosylhomocysteine
ME616063
-
cpd:C00021
-
385.129416
Glutamic acid
Glutamic acid
ME616089
-
cpd:C00025
-
148.060984
Glycine
Glycine
ME616093
750
cpd:C00037
-
76.039854
Alanine
Alanine
ME616064
-
cpd:C00041
-
90.055504
Lysine
Lysine
ME616102
-
cpd:C00047
-
147.113353
Aspartic acid
Aspartic acid
ME616069
-
cpd:C00049
-
134.045334
Arginine
Arginine
ME616066
-
cpd:C00062
-
175.119501
Glutamine
Glutamine
ME616090
-
cpd:C00064
-
147.076968
Serine
Serine
ME616114
-
cpd:C00065
-
106.050419
Methionine
Methionine
ME616103
-
cpd:C00073
-
150.058876
Ornithine
Ornithine
ME616111
6262
cpd:C00077
-
133.097703
Tyrosine
Tyrosine
ME616124
-
cpd:C00082
-
182.081719
beta-Alanine
beta-Alanine
ME616070
239
cpd:C00099
-
90.055504
Choline
Choline
ME616076
305
cpd:C00114
-
104.107539
Glutathione Disulfide
Oxidized glutathione
ME616091
-
cpd:C00127
-
613.159793
Histidine
Histidine
ME616097
-
cpd:C00135
-
156.077302
N-Acetylglucosamine
N-Acetylglucosamine
ME616108
-
cpd:C00140
-
222.097764
Adenine
Adenine
ME616061
190
cpd:C00147
-
136.06232
Proline
Proline
ME616112
-
cpd:C00148
-
116.071154
Asparagine
Asparagine
ME616068
-
cpd:C00152
-
133.061318
Threonine
Threonine
ME616117
-
cpd:C00188
-
120.066069
Adenosine
Adenosine
ME616062
60961
cpd:C00212
-
268.10458
Guanine
Guanine
ME616095
135398634
cpd:C00242
-
152.057235
Vitamin B3
Nicotinic acid
ME616125
938
cpd:C00253
-
124.039854
Hypoxanthine
Hypoxanthine
ME616101
135398638
cpd:C00262
-
137.046336
Homoserine
Homoserine
ME616099
12647
cpd:C00263
-
120.066069
Creatine
Creatine
ME616078
586
cpd:C00300
-
132.077302
Citrulline
Citrulline
ME616077
9750
cpd:C00327
-
176.103517
Cytosine
Cytosine
ME616083
597
cpd:C00380
-
112.051087
Guanosine
Guanosine
ME616096
135398635
cpd:C00387
-
284.099495
(Iso)leucine
Isoleucine
ME616057
-
cpd:C00407
-
132.1025
Cytidine
Cytidine
ME616082
6175
cpd:C00475
-
244.093347
Carnitine
Carnitine
ME616074
288
cpd:C00487
-
162.113019
Cystine
Cystine
ME616081
67678
cpd:C00491
-
241.031677
Hypotaurine
Hypotaurine
ME616100
107812
cpd:C00519
-
110.027576
Deoxyadenosine
Deoxyadenosine
ME616084
-
cpd:C00559
-
252.109665
Glycerophosphocholine
sn-Glycero-3-phosphocholine
ME616092
-
cpd:C00670
-
258.110652
Betaine
Betaine
ME616072
-
cpd:C00719
-
118.086804
N-Acetyl-Serine
N-Acetylserine
ME616107
-
cpd:C00979
-
148.060984
Trigonelline
Trigonelline
ME616119
5570
cpd:C01004
-
138.055503
Thiamine monophosphate
Thiamine monophosphate
ME616116
1131
cpd:C01081
-
345.078641
Trimethylamine N-oxide
Trimethylamine N-oxide
ME616121
-
cpd:C01104
-
76.076239
trans Hydroxyl proline
cis-3-Hydroxyproline
ME616118
5810
cpd:C01157
-
132.066069
(3-Carboxypropyl)trimethylammonium (TMAB)
-
ME616056
-
cpd:C01181
-
146.118104
Anserine
Anserine
ME616065
112072
cpd:C01262
-
241.130066
Cys-Gly
Cys-Gly
ME616079
-
cpd:C01419
-
179.04904
Chitobiose
N,N'-Diacetylchitobiose
ME616075
-
cpd:C01674
-
425.177138
Cystathionine
Cystathionine
ME616080
439258
cpd:C02291
-
223.075255
Acetyl-L-carnitine
CAR 2:0
ME616060
439756
cpd:C02571
-
204.123584
N(e)-Acetyl-Lysine
N6-Acetyllysine
ME616109
92832
cpd:C02727
-
189.123918
Methionine Sulfoxide
Methionine sulfoxide
ME616104
-
cpd:C02989
-
166.053791
Propionyl-L-carnitine
CAR 3:0
ME616113
-
cpd:C03017
-
218.139234
Dimethylsulfonioacetate (DMS-Ac)
(Dimethylsulfonio)acetate
ME616085
-
cpd:C03392
-
121.032327
Argininosuccinic Acid
Argininosuccinic acid
ME616067
-
cpd:C03406
-
291.13046
Trimethyl-L-lysine
N-6-Trimethyllysine
ME616120
440120
cpd:C03793
-
189.160303
DMSP
S,S-Dimethyl-beta-propiothetin
ME616086
-
cpd:C04022
-
135.047977
Ectoine
Ectoine
ME616087
126041
cpd:C06231
-
143.082053
Muramic Acid
Muramic acid
ME616106
441038
cpd:C06470
-
252.108329
Trimethylammonium Propionate (TMAP)
-
ME616122
-
cpd:C08263
-
132.1018
Betonicine
Betonicine
ME616073
164642
cpd:C08269
-
160.097369
6-Methyladenine
6-Methyladenine
ME616059
-
cpd:C08434
-
150.07797
Stachydrine hydrochloride
Stachydrine
ME616115
-
cpd:C10172
-
144.102454
Glucosylglycerol
Glucosylglycerol
ME616088
-
cpd:C11546
-
255.107995
4-Hydroxyisoleucine
-
ME616058
-
cpd:C20802
-
148.097369
Ophthalmic Acid
Ophthalmic acid
ME616110
7018721
cpd:C21016
-
290.135212
Turicine
Turicine
ME616123
6560290
cpd:C21513
-
160.097369
beta-Glutamic acid
Isoglutamic acid
ME616071
-
NA
-
148.060984
Gonyol
Gonyol
ME616094
-
NA
-
179.074191
Homarine
Homarine
ME616098
3620
NA
-
138.055503
Methylmalonyl carnitine
CAR DC3:0;2Me
ME616105
91825610
NA
-
262.129063
Analysis: HILIC NEGATIVE ION MODE
Select
Metabolite Name
RefMet Name/Standardized Name*
WorkBenchMetabolite_ID
PubChemCompound_ID
Kegg Id
Retentiontime/index
m/z ratio
NAD
NAD
ME616151
-
cpd:C00003
-
662.101304
ADP
ADP
ME616128
-
cpd:C00008
-
426.021596
FAD
FAD
ME616139
643975
cpd:C00016
-
784.149317
AMP
AMP
ME616130
6083
cpd:C00020
-
346.055262
Ketoglutaric Acid
2-Oxoglutaric acid
ME616148
-
cpd:C00026
-
145.0137
UDP-glucose
UDP-glucose
ME616161
-
cpd:C00029
-
565.047204
UDP-glucosamine
UDP-glucosamine
ME616160
-
cpd:C00043
-
606.073753
PEP
Phosphoenolpyruvic acid
ME616153
-
cpd:C00074
-
166.974553
Fructose 6 phosphate
Fructose 6-phosphate
ME616140
-
cpd:C00085
-
259.021897
Glucose 6 phosphate
Glucose 6-phosphate
ME616143
99058
cpd:C00092
-
259.021897
glycerol 3 phosphate
sn-Glycero-3-phosphate
ME616144
754
cpd:C00093
-
171.005853
Glucose 1 phosphate
Glucose 1-phosphate
ME616142
-
cpd:C00103
-
259.021897
DHAP
Dihydroxyacetone phosphate
ME616136
668
cpd:C00111
-
168.990203
Ribose 5 phosphate
Ribose 5-phosphate
ME616157
-
cpd:C00117
-
229.011333
GMP
GMP
ME616145
-
cpd:C00144
-
362.050178
Citric Acid
Citric acid
ME616133
311
cpd:C00158
-
191.01918
Taurine
Taurine
ME616158
1123
cpd:C00245
-
124.006841
Gluconic Acid
Gluconic acid
ME616141
-
cpd:C00257
-
195.05048
Inosine
Inosine
ME616146
135398641
cpd:C00294
-
267.072946
Orotic Acid
Orotic acid
ME616152
967
cpd:C00295
-
155.009283
Uridine
Uridine
ME616162
6029
cpd:C00299
-
243.061713
Aconitic Acid
cis-Aconitic acid
ME616127
643757
cpd:C00417
-
173.008615
Cysteic Acid
Cysteic acid
ME616134
72886
cpd:C00506
-
167.996671
cAMP
3',5' cyclic AMP
ME616131
-
cpd:C00575
-
328.044698
Phosphoglyceric Acid
Phosphoglyceric acid
ME616154
724
cpd:C00597
-
184.985118
Cysteinesulfinic acid
3-Sulfino-alanine
ME616135
1549098
cpd:C00606
-
152.001756
Acetylglutamic acid
N-Acetyl-mannosamine
ME616126
70914
cpd:C00624
-
188.055899
Resorcylic Acid
-
ME616156
3469
cpd:C00628
-
153.018785
cGMP
3',5' cyclic GMP
ME616132
-
cpd:C00942
-
344.039613
Threonic acid
Threonic acid
ME616159
151152
cpd:C01620
-
135.02935
L-Pyroglutamic acid
Pyroglutamic acid
ME616149
-
cpd:C01879
-
128.034768
Amino Propanesulfonic Acid
Cerebril
ME616129
-
cpd:C03349
-
138.022491
Isethionic Acid
2-Hydroxyethanesulfonate
ME616147
-
cpd:C05123
-
124.990857
DHPS
(2R)-3-sulfopropanediol
ME616137
-
cpd:C19675
-
155.001422
Ethyl Dihydroxybenzoate
-
ME616138
-
NA
-
181.050085
N-acetyltaurine
N-Acetyltaurine
ME616150
-
NA
-
166.017406
Propionylglycine
Propionylglycine
ME616155
-
NA
-
130.050419
Analysis: Reversed phase POSITIVE ION MODE
Select
Metabolite Name
RefMet Name/Standardized Name*
WorkBenchMetabolite_ID
PubChemCompound_ID
Kegg Id
Retentiontime/index
m/z ratio
Adenosyl Methionine
S-Adenosylmethionine
ME616167
34755
cpd:C00019
-
399.145066
Glutathione
Glutathione
ME616172
124886
cpd:C00051
-
308.091634
Tryptophan
Tryptophan
ME616184
-
cpd:C00078
-
205.097703
Phenylalanine
Phenylalanine
ME616180
-
cpd:C00079
-
166.086804
Methylthioadenosine
Methylthioadenosine
ME616179
-
cpd:C00170
-
298.097387
Agmatine
Agmatine
ME616168
199
cpd:C00179
-
131.129671
Pyridoxal
Pyridoxal
ME616181
1050
cpd:C00250
-
168.066069
Vitamin B2
Riboflavin
ME616186
493570
cpd:C00255
-
377.146111
Vitamin B6
Pyridoxine
ME616188
1054
cpd:C00314
-
170.081719
Kynurenine
Kynurenine
ME616178
161166
cpd:C00328
-
209.092618
Vitamin B1
Thiamine
ME616185
1130
cpd:C00378
-
265.112308
Xanthine
Xanthine
ME616189
1188
cpd:C00385
-
153.041251
Vitamin B5
Pantothenic acid
ME616187
6613
cpd:C00864
-
220.118498
IAA
Indoleacetic acid
ME616174
802
cpd:C00954
-
176.071154
7-dehydrocholesterol
7-Dehydrocholesterol
ME616166
439423
cpd:C01164
-
367.336475
Desthiobiotin
Dethiobiotin
ME616171
643
cpd:C01909
-
215.139568
Carotene
beta-Carotene
ME616170
5280489
cpd:C02094
-
536.4382
Indole 3 acetamide
1H-Indole-3-acetamide
ME616175
397
cpd:C02693
-
175.087138
RP B12
-
ME616182
5311498
cpd:C02823
-
678.2894
Sulfurol
5-(2-Hydroxyethyl)-4-methylthiazole
ME616183
-
cpd:C04294
-
144.048311
Hydroxo B12
Hydroxocobalamin
ME616173
70678542
cpd:C08230
-
664.7861
3OC8-HSL
-
ME616164
-
cpd:C11841
-
242.139234
Indole 3 methyl acetate
Indole-3-methyl acetate
ME616176
-
cpd:C20635
-
190.086804
3OC12-HSL
-
ME616163
127864
NA
-
298.201834
3OHC12-HSL
-
ME616165
-
NA
-
300.217484
C14-HSL
-
ME616169
-
NA
-
312.253869
Isobutyryl-L-carnitine
CAR 3:0;2Me
ME616177
-
NA
-
232.154884
Analysis: Reversed phase NEGATIVE ION MODE
Select
Metabolite Name
RefMet Name/Standardized Name*
WorkBenchMetabolite_ID
PubChemCompound_ID
Kegg Id
Retentiontime/index
m/z ratio
Arachidonic acid
Arachidonic acid
ME616190
444899
cpd:C00219
-
303.2324
Eicosapentaenoic acid
Eicosapentaenoic acid
ME616192
446284
cpd:C06428
-
301.2168
Docosahexaenoic acid
Docosahexaenoic acid
ME616191
445580
cpd:C06429
-
327.2324
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