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Return to study ST000045 main page
Analysis: MS positive ion mode/C18
Select
Metabolite Name
RefMet Name/Standardized Name*
WorkBenchMetabolite_ID
PubChemCompound_ID
Kegg Id
Retentiontime/index
m/z ratio
Alanine
Alanine
ME648190
5950
C00041
2.102339
-
Glycerol
Glycerol
ME648207
753
C00116
0.96184146
-
2-oxoisocaproicacid
Ketoleucine
ME648180
70
C00233
1.8278003
-
pipecolicacid
Pipecolic acid
ME648231
849
C00408
1.0182538
-
Dehydroascorbicacid
Dehydroascorbic acid
ME648198
210328
C00425
1.2327964
-
beta-D-Fucose
D-Fucose
ME648195
19466
C01018
1.7912811
-
Benzene
Benzene
ME648194
71308903
C01407
6.3511105
-
Pyroglutamicacid
Pyroglutamic acid
ME648235
7405
C01879
0.90044063
-
Pyroglutamicacid+1.5019361
Pyroglutamic acid
ME648236
7405
C01879
1.5019361
-
Homoarginine
Homoarginine
ME648211
3626
C01924
0.92241025
-
2-Hydroxyadipicacid
2-Hydroxyadipic acid
ME648179
193530
C02360
0.9135898
-
Estronesulfate
Estrone 3-sulfate
ME648203
3001028
C02538
0.9971251
-
Anhydrotetracycline
Anhydrotetracycline
ME648191
54675758
C02811
0.8057143
-
Hydroxyhydroquinone
1,2,4-Trihydroxybenzene
ME648213
10787
C02814
0.90914285
-
Isobutyrylcarnitine
CAR 3:0;2Me
ME648218
213144
C02862
5.154031
-
Isobutyrylcarnitine+5.3823495
CAR 3:0;2Me
ME648219
213144
C02862
5.3823495
-
O-propanoyl-carnitine
CAR 3:0
ME648229
188824
C03017
3.292714
-
O-decanoyl-R-carnitine
CAR 10:0
ME648227
11953821
C03299
11.301664
-
Adipicacid
Adipic acid
ME648187
196
C06104
3.311857
-
Hydroxychloroquine
Hydroxychloroquine
ME648212
3652
C07043
2.291617
-
Nizatidine
Nizatidine
ME648226
3033637
C07270
12.822276
-
Limonene-1,2-epoxide
Limonene-1,2-epoxide
ME648220
441245
C07271
7.2663126
-
Ethosuximide
Ethosuximide
ME648204
3291
C07505
1.2537223
-
Myricetin
Myricetin
ME648222
5281672
C10107
2.1177058
-
17beta-Estradiol17-(beta-D-glucuronide)
17beta-Estradiol 17-glucosiduronic acid
ME648173
5281887
C11237
2.3179998
-
GibberellinA8-catabolite
Gibberellin A8-catabolite
ME648205
443463
C11870
1.2262932
-
Glutaral(Glutaraldehyde)
Glutaral
ME648206
3485
C12518
3.295428
-
18-bromo-9Z,17E-Octadecadiene-7,15-diynoicacid
-
ME648174
9543591
-
2.2564287
-
20alpha-Dihydroprednisolone
20alpha-dihydroprednisolone
ME648176
13962391
-
10.190271
-
2,3-Dioxogulonicacid
-
ME648175
-
-
1.2307304
-
25-hydroxyvitaminD225-(beta-glucuronide)/25hydroxy...
25-Hydroxyvitamin D2 25-(beta-glucuronide)
ME648177
9547260
-
1.8222218
-
25-hydroxyvitaminD225-(beta-glucuronide)/25hydroxy...
25-Hydroxyvitamin D2 25-(beta-glucuronide)
ME648178
-
-
2.0046735
-
3-(a-Naphthoxy)lacticacidglucuronide
-
ME648181
-
-
0.88399994
-
3-Methylglutarylcarnitine
CAR DC5:0;3Me
ME648182
128145
-
4.4941993
-
3-methyl-nonanoicacid
3-Methyl-nonanoic acid
ME648183
232569
-
11.118601
-
4-heptanone
4-Heptanone
ME648184
31246
-
11.119523
-
4-Oxo-norfloxacin
-
ME648185
-
-
0.93841666
-
9-Decenoicacid
Caproleic acid
ME648186
61743
-
12.058001
-
a-hydroxybutyrate
2-Hydroxybutyric acid
ME648188
-
-
2.2699285
-
AlaLysLys
Ala-Lys-Lys
ME648189
-
-
1.0233572
-
ArgSerMet
Arg-Ser-Met
ME648192
-
-
2.321678
-
b-D-Glucopyranosiduronicacid
-
ME648193
-
-
1.9244074
-
CysGlnGln
Cys-Gln-Gln
ME648196
-
-
2.2827
-
Cystathioninesulfoxide
-
ME648197
-
-
2.2755384
-
Delphinidin
Delphinidin
ME648199
68245
-
0.8841034
-
Diamorphine(heroin)
-
ME648200
-
-
4.0409284
-
Diethylpropion(metaboliteV-glucuronide)
-
ME648201
-
-
1.2003332
-
DL-2-Aminooctanoicacid
2-Aminocaprylic acid
ME648202
69522
-
1.2846193
-
(E)-2-Methylglutaconicacid
2-Methylglutaconic acid
ME648172
-
-
0.91237485
-
GPA(O-14:0/O-14:0)[U]
-
ME648208
-
-
6.9761853
-
GPEtn(6:0/6:0)
PE 6:0/6:0
ME648209
-
-
8.403666
-
HisSerVal
His-Ser-Val
ME648210
-
-
1.073263
-
Hydroxypentobarbital
-
ME648214
-
-
7.07445
-
Hydroxypentobarbital+7.397446
-
ME648215
-
-
7.397446
-
IleAsp
Ile-Asp
ME648216
-
-
3.9514906
-
Isobutylglycine
N-Isobutylglycine
ME648217
-
-
1.2835714
-
Muramicacid
Muramic acid
ME648221
433580
-
0.9241364
-
N4-Acetylsulfadoxine
N4-Acetylsulfadoxine
ME648223
160773
-
2.3077896
-
N-Acetyl-DL-tryptophan
N-Acetyl-tryptophan
ME648224
2002
-
8.691715
-
Nadolol
Nadolol
ME648225
39147
-
10.239513
-
O-Desmethyloxotolrestatsulfate
-
ME648228
-
-
1.4723169
-
Oxolan-3-one
Oxolan-3-one
ME648230
529392
-
9.556681
-
Podophyllotoxin(Podophyllum)
-
ME648232
-
-
1.316
-
ProHisHis
Pro-His-His
ME648233
-
-
1.1946152
-
ProPhe
Pro-Phe
ME648234
-
-
7.6048713
-
Symmetricdimethylarginine
Symmetric dimethylarginine
ME648237
169148
-
1.0362419
-
tetrahydroxyalmitrine
-
ME648238
-
-
0.9846364
-
Tranexamicacid
Tranexamic acid
ME648239
-
-
1.3675872
-
TrpArgAla
Trp-Arg-Ala
ME648240
-
-
2.3208663
-
Analysis: MS positive ion mode/HILIC
Select
Metabolite Name
RefMet Name/Standardized Name*
WorkBenchMetabolite_ID
PubChemCompound_ID
Kegg Id
Retentiontime/index
m/z ratio
20alpha-Dihydroprednisolone
20alpha-dihydroprednisolone
ME648241
13962391
-
1.2322619
-
3E-undecenoicacid
3E-Undecenoic acid
ME648242
-
-
1.0394291
-
7-Hydroxypipotiazineglucuronide
-
ME648243
-
-
1.0686085
-
7-Hydroxyprochlorperazineglucuronide
-
ME648244
-
-
1.0153658
-
AspLysTrp
Asp-Lys-Trp
ME648245
-
-
1.4484413
-
Analysis: MS negative ion mode/C18
Select
Metabolite Name
RefMet Name/Standardized Name*
WorkBenchMetabolite_ID
PubChemCompound_ID
Kegg Id
Retentiontime/index
m/z ratio
Leucine
Leucine
ME648257
6106
C00123
2.0676668
-
Leucine-2.2727776
Leucine
ME648258
6106
C00123
2.2727776
-
Histidine
Histidine
ME648256
6274
C00135
0.83680314
-
Acetoaceticacid
Acetoacetic acid
ME648252
96
C00164
0.896349
-
Dihydroxyacetone(glycerone)
Dihydroxyacetone
ME648255
670
C00184
0.89933956
-
2-oxoisocaproicacid
Ketoleucine
ME648249
70
C00233
4.9944606
-
Uricacid
Uric acid
ME648261
1175
C00366
1.3378096
-
5-Aminopentanoicacid
5-Aminopentanoic acid
ME648250
138
C00431
1.1872064
-
5-Aminopentanoicacid-1.419143
5-Aminopentanoic acid
ME648251
138
C00431
1.419143
-
beta-D-Fucose
D-Fucose
ME648254
19466
C01018
0.9833889
-
Pyroglutamicacid
Pyroglutamic acid
ME648259
7405
C01879
1.4762219
-
sebacicacid
Sebacic acid
ME648260
5192
C08277
9.9398
-
2-Methoxyestrone3-glucuronide
2-Methoxyestrone 3-glucuronide
ME648247
443077
C11132
10.172761
-
2-Butanone,4-[6-(sulfooxy)-2-naphthalenyl]-
-
ME648246
-
-
0.9280167
-
2-Oxo-3-hydroxy-4-phosphobutanoate
2-Oxo-3-hydroxy-4-phosphobutanoic acid
ME648248
25245610
-
7.591397
-
a-hydroxybutyrate
2-Hydroxybutyric acid
ME648253
-
-
2.2411954
-
Analysis: MS negative ion mode/HILIC
Select
Metabolite Name
RefMet Name/Standardized Name*
WorkBenchMetabolite_ID
PubChemCompound_ID
Kegg Id
Retentiontime/index
m/z ratio
D-Glucose
Glucose
ME648293
5793
C00031
2.5723
-
Leucine
Leucine
ME648311
6106
C00123
6.925859
-
Phenol
Phenol
ME648321
996
C00146
0.7693147
-
Niacin(Nicotinicacid)
Nicotinic acid
ME648319
938
C00253
1.1599599
-
Uridine
Uridine
ME648329
6029
C00299
2.10234
-
Lactaldehyde
Lactaldehyde
ME648310
439231
C00424
1.418793
-
Acetoin
Acetoin
ME648279
179
C00466
1.5945348
-
Glutaricacid
Glutaric acid
ME648299
743
C00489
1.2488078
-
Quinol
Hydroquinone
ME648322
785
C00530
0.7310847
-
Octanol
n-Octanol
ME648320
7720
C00756
1.5995076
-
Naproxen
Naproxen
ME648317
156391
C01517
0.7787501
-
2-Hydroxyadipicacid
2-Hydroxyadipic acid
ME648267
193530
C02360
1.4860588
-
Chenodeoxycholyltaurine
Taurochenodeoxycholic acid
ME648291
387316
C05465
2.9110963
-
Hydantoin-5-propionicacid
Hydantoin-5-propionic acid
ME648306
782
C05565
1.9330814
-
Adipicacid
Adipic acid
ME648280
196
C06104
1.5600538
-
Gemfibrozil
Gemfibrozil
ME648296
3463
C07020
1.460069
-
Spironolactone
Spironolactone
ME648325
5833
C07310
3.5795271
-
Isovalericacid
Isovaleric acid
ME648308
10430
C08262
1.5006251
-
Isovalericacid-2.2218697
Isovaleric acid
ME648309
10430
C08262
2.2218697
-
2-Methoxyestrone3-sulfate
2-Methoxyestrone 3-sulfate
ME648269
441485
C08358
2.488393
-
Naringin
Naringin
ME648318
45357390
C09789
2.4967663
-
Androsteroneglucuronide
Androsterone 3-glucuronide
ME648285
114833
C11135
5.256022
-
Glutaral(Glutaraldehyde)
Glutaral
ME648297
3485
C12518
1.5215555
-
2-oxocapricacid
2-Oxo capric acid
ME648271
259794
C13945
1.2399443
-
2-Propylglutaricacid
2-Propylglutaric acid
ME648273
134970
C16658
1.3040303
-
19-hydroxy-17-oxoandrost-5-en-3-beta-ylsulfate
-
ME648264
-
-
1.0476668
-
2-Hydroxy-3-(4-methoxyethylphenoxy)-propanoicacid
-
ME648265
-
-
1.2478961
-
2-Hydroxy-4-methylvalericacid
Leucinic acid
ME648266
92779
-
1.3766346
-
2-Hydroxyethinylestradiol
2-Hydroxyethinylestradiol
ME648268
-
-
1.6159792
-
2-methyl-tridecanedioicacid
2-Methyl-tridecanedioic acid
ME648270
9543658
-
1.1372695
-
2-Oxovalericacid
2-Oxovaleric acid
ME648272
-
-
2.3902729
-
2R-aminoheptanoicacid
2R-Aminoheptanoic acid
ME648274
-
-
8.794783
-
3-Hydroxydodecanedioicacid
3-Hydroxy-dodecanedioic acid
ME648275
16663321
-
1.5411304
-
5C-aglycone
5C-Aglycone
ME648276
3082405
-
0.7885
-
5-tert-Butyl-4-hydroxymethylfuran-2-carboxylicacid
-
ME648277
-
-
1.3213168
-
(6R)-1alpha,25-dihydroxyvitaminD36,19-sulfurdioxid...
-
ME648262
9547453
-
0.8267608
-
8,13-dihydroxy-9,11-octadecadienoicacid
8,13-DiHODE
ME648278
5282963
-
1.1073571
-
a-hydroxybutyrate
2-Hydroxybutyric acid
ME648281
-
-
2.747436
-
a-hydroxyisovalerate
2-Hydroxy-3-methylbutyric acid
ME648282
-
-
1.3475693
-
a-hydroxyisovalerate-1.511073
2-Hydroxy-3-methylbutyric acid
ME648283
-
-
1.511073
-
Aminopterin
4-Aminofolic acid
ME648284
169371
-
2.4203868
-
ArgArgLys
Arg-Arg-Lys
ME648286
-
-
2.57796
-
ArgCysGly
Arg-Cys-Gly
ME648287
-
-
0.7830476
-
ArgSerPhe
Arg-Ser-Phe
ME648288
-
-
1.2193093
-
AsnAsnAsn
Asn-Asn-Asn
ME648289
-
-
1.5766362
-
Benzenemethanol,2-(2-aminopropoxy)-3-methyl-
-
ME648290
-
-
1.2466296
-
desethyletomidate
-
ME648292
-
-
6.7652326
-
Digoxigeninmonodigitoxoside
Digoxigenin monodigitoxoside
ME648294
93001
-
1.3297467
-
(E)-2-Methylglutaconicacid
2-Methylglutaconic acid
ME648263
-
-
1.6388518
-
Flecainidemeta-O-dealkylated
-
ME648295
-
-
1.5965153
-
Glutaral(Glutaraldehyde)-1.6054474
Glutaral
ME648298
-
-
1.6054474
-
Glycine,N-[(3a,5b,7b)-3-hydroxy-24-oxo-7-(sulfooxy...
-
ME648300
-
-
6.015254
-
Glycine,N-[(3a,5b,7b)-3-hydroxy-24-oxo-7-(sulfooxy...
-
ME648301
-
-
5.922414
-
Glycoursodeoxycholicacid
Glycoursodeoxycholic acid
ME648302
12310288
-
5.6564174
-
GPEtn(16:0/0:0)
LPE 16:0/0:0
ME648303
-
-
6.7327304
-
GPEtn(18:0/0:0)
LPE 18:0/0:0
ME648304
-
-
8.045931
-
HisIleTrp
His-Ile-Trp
ME648305
-
-
1.0100656
-
IdebenoneMetabolite(Benzenebutanoicacid,2,5-dihydr...
-
ME648307
-
-
2.281294
-
LysArgGly
Lys-Arg-Gly
ME648312
-
-
7.394612
-
LysArgLeu
Lys-Arg-Leu
ME648313
-
-
6.836529
-
Medroxyprogesteroneglucuronide
-
ME648314
-
-
2.563778
-
MetHisLys
Met-His-Lys
ME648315
-
-
0.9819682
-
N-Acetyl-DL-tryptophan
N-Acetyl-tryptophan
ME648316
2002
-
3.1854286
-
Ribothymidine
Ribothymidine
ME648323
445408
-
1.5457085
-
Sedoheptulose
Glucoheptulose
ME648324
102926
-
1.9740433
-
Sulfaphenazole
Sulfaphenazole
ME648326
5335
-
1.008019
-
Thyroaceticacid
-
ME648327
-
-
0.8405756
-
TrpPhe
Trp-Phe
ME648328
-
-
5.6925664
-
VD2716
-
ME648330
24779635
-
3.666445
-
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