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Return to study ST001253 main page
Analysis: Reversed phase (early) POSITIVE ION MODE
Select
Metabolite Name
RefMet Name/Standardized Name*
WorkBenchMetabolite_ID
PubChemCompound_ID
Kegg Id
Retentiontime/index
m/z ratio
adenosine 5'-monophosphate (AMP)
AMP
ME293315
6083
C00020
1013
-
N-acetyl-aspartyl-glutamate (NAAG)
N-Acetyl-Asp-Glu
ME293187
5255
C12270
1035
-
betaine
Betaine
ME293195
247
C00719
1064
-
trans-4-hydroxyproline
trans-4-Hydroxyproline
ME293272
5810
C01157
1064
-
dimethylglycine
Dimethylglycine
ME293196
673
C01026
1104
-
4-hydroxybutyrate (GHB)
4-Hydroxybutyric acid
ME293302
10413
C00989
1148
-
hydroxyasparagine
Hydroxyasparagine
ME293180
97663
C03124
1149
-
aspartate
Aspartic acid
ME293179
5960
C00049
1165
-
N-acetylglucosaminylasparagine
Aspartylglycosamine
ME293275
123826
C04540
1212
-
asparagine
Asparagine
ME293178
6267
C00152
1225
-
serine
Serine
ME293199
5951
C00065
1239
-
methionine sulfone
Methionine sulfone
ME293236
69961
-
1250
-
thioproline
Thioproline
ME293351
93176
-
1250
-
N1-Methyl-4-pyridone-3-carboxamide
N1-Methyl-4-pyridone-3-carboxamide
ME293278
440810
C05843
1260
-
methionine sulfoxide
Methionine sulfoxide
ME293237
158980
C02989
1272
-
sarcosine
Sarcosine
ME293198
1088
C00213
1280
-
glutamine
Glutamine
ME293186
5961
C00064
1291
-
N-methylproline
N-Methyl-proline
ME293267
557
-
1335
-
4-acetamidobutanoate
4-Acetamidobutanoic acid
ME293243
18189
C02946
1350
-
glycine
Glycine
ME293197
750
C00037
1375
-
trigonelline (N'-methylnicotinate)
Trigonelline
ME293282
5570
C01004
1388
-
gamma-glutamylglutamine
gamma-Glutamylglutamine
ME293340
150914
C05283
1430
-
N1-methylinosine
1-Methylinosine
ME293313
65095
-
1430
-
stachydrine
Stachydrine
ME293357
115244
C10172
1440
-
cysteine
Cysteine
ME293233
5862
C00097
1488
-
glutamate
Glutamic acid
ME293185
611
C00025
1500
-
threonine
Threonine
ME293200
6288
C00188
1514
-
citrulline
Citrulline
ME293261
9750
C00327
1520
-
2-butenoylglycine
2-Butenoylglycine
ME293298
6303498
-
1526
-
S-1-pyrroline-5-carboxylate
1-Pyrroline-5-carboxylic acid
ME293190
1196
C04322
1528
-
gamma-glutamylglycine
gamma-Glutamylglycine
ME293341
165527
-
1535
-
nicotinate ribonucleoside
D-Ribosylnicotinate
ME293281
161234
C05841
1536
-
N4-acetylcytidine
N4-Acetylcytidine
ME293329
107461
-
1580
-
proline
Proline
ME293271
145742
C00148
1603
-
gamma-glutamylcitrulline
gamma-Glutamylcitrulline
ME293338
-
-
1644
-
guanosine
Guanosine
ME293318
6802
C00387
1728
-
homostachydrine
(S)-Homostachydrine
ME293354
441447
C08283
1750
-
2-oxoarginine
2-Oxoarginine
ME293257
558
C03771
1760
-
gamma-glutamylglutamate
gamma-Glutamylglutamic acid
ME293339
92865
C05282
1775
-
formiminoglutamate
Formiminoglutamic acid
ME293209
439233
C00439
1880
-
guanidinosuccinate
Guanidinosuccinic acid
ME293202
97856
C03139
1892
-
pyroglutamine
Pyroglutamine
ME293189
134508
-
1900
-
beta-alanine
beta-Alanine
ME293331
239
C00099
1905
-
homocitrulline
Homocitrulline
ME293264
65072
C02427
1908
-
1-methylnicotinamide
1-Methyl nicotinamide
ME293277
10129985
C02918
1940
-
nicotinamide
Niacinamide
ME293279
936
C00153
1942
-
creatine
Creatine
ME293182
586
C00300
1947
-
choline
Choline
ME293304
305
C00114
1961
-
carnitine
Carnitine
ME293287
10917
C00318
1978
-
3-methylcrotonylglycine
3-Methylcrotonylglycine
ME293216
169485
-
1980
-
N-alpha-acetylornithine
N-Acetylornithine
ME293266
439232
C00437
2000
-
1-ribosyl-imidazoleacetate
Imidazoleacetic acid riboside
ME293205
5117448
C05131
2006
-
deoxycarnitine
3-Dehydroxycarnitine
ME293288
134
C01181
2052
-
4-imidazoleacetate
Imidazoleacetic acid
ME293206
96215
C02835
2055
-
creatinine
Creatinine
ME293183
588
C00791
2055
-
N-acetyl-3-methylhistidine
N-Acetyl-3-methylhistidine
ME293213
193270
-
2056
-
2-aminobutyrate
2-Aminobutyric acid
ME293191
439691
C02261
2059
-
cytosine
Cytosine
ME293328
597
C00380
2060
-
1-methyl-4-imidazoleacetate
Methylimidazoleacetic acid
ME293203
75810
C05828
2064
-
carboxyethyl-GABA
N-Carboxyethyl-gamma-aminobutyric acid
ME293184
2572
-
2085
-
malonylcarnitine
CAR DC3:0
ME293299
22833583
-
2086
-
histidine betaine (hercynine)
Hercynine
ME293353
3083620
-
2094
-
N-acetyl-1-methylhistidine
N-Acetyl-3-methylhistidine
ME293212
193270
-
2100
-
trimethylamine N-oxide
Trimethylamine N-oxide
ME293310
1145
C01104
2100
-
N-methyl-GABA
4-(Methylamino)butyric acid
ME293188
70703
C15987
2109
-
N1-methyladenosine
1-Methyladenosine
ME293316
27476
C02494
2120
-
cytidine
Cytidine
ME293326
6175
C00475
2124
-
pro-hydroxy-pro
Pro-hydroxyPro
ME293270
11673055
-
2128
-
prolylglycine
Pro-Gly
ME293335
6426709
-
2136
-
argininate
Argininic acid
ME293258
160437
-
2150
-
7-methylguanine
7-Methylguanine
ME293317
11361
C02242
2175
-
3-methylcytidine
3-Methylcytidine
ME293323
159649
-
2176
-
N-trimethyl 5-aminovalerate
-
ME293227
-
-
2186
-
2'-deoxycytidine
Deoxycytidine
ME293321
13711
C00881
2193
-
pipecolate
Pipecolic acid
ME293230
849
C00408
2200
-
hydroxymethylpyrimidine
4-Amino-5-hydroxymethyl-2-methylpyrimidine
ME293283
777
C01279
2207
-
N2,N2-dimethylguanosine
N2,N2-Dimethylguanosine
ME293320
92919
-
2210
-
5-aminovalerate
5-Aminopentanoic acid
ME293223
138
C00431
2220
-
adenine
Adenine
ME293314
190
C00147
2221
-
5-methylcytidine
5-Methylcytidine
ME293325
92918
-
2227
-
N-acetylputrescine
N-Acetylputrescine
ME293245
122356
C02714
2230
-
N-acetylarginine
N-Acetylarginine
ME293265
67427
C02562
2245
-
biotin
Biotin
ME293276
171548
C00120
2253
-
imidazole propionate
Imidazole propanoate
ME293211
70630
-
2263
-
cystathionine
Cystathionine
ME293232
439258
C02291
2270
-
acetylcarnitine (C2)
CAR 2:0
ME293293
1
C02571
2282
-
trans-urocanate
Urocanic acid
ME293214
736715
C00785
2285
-
succinylcarnitine (C4-DC)
CAR DC4:0
ME293286
71464481
-
2291
-
5-methyl-2'-deoxycytidine
5-Methyl-2'-deoxycytidine
ME293324
440055
C03592
2303
-
phenylacetylglycine
Phenylacetylglycine
ME293334
68144
C05598
2317
-
4-guanidinobutanoate
4-Guanidinobutanoic acid
ME293201
500
C01035
2320
-
3-hydroxybutyrylcarnitine (2)
CAR 4:0;3OH
ME293292
-
-
2340
-
pyridoxal
Pyridoxal
ME293284
1050
C00250
2343
-
glutarylcarnitine (C5-DC)
CAR DC5:0
ME293225
71464488
-
2393
-
3-hydroxybutyrylcarnitine (1)
CAR 4:0;3OH
ME293291
53481617
-
2400
-
2'-O-methylcytidine
2'-O-Methylcytidine
ME293322
150971
-
2411
-
tyrosine
Tyrosine
ME293256
6057
C00082
2430
-
cysteine-glutathione disulfide
S-Glutathionyl-cysteine
ME293192
4247235
-
2465
-
valine
Valine
ME293222
6287
C00183
2479
-
gamma-glutamyltyrosine
gamma-Glutamyltyrosine
ME293348
94340
-
2518
-
methionine
Methionine
ME293235
6137
C00073
2526
-
cysteinylglycine disulfide
Cysteinylglycine disulfide
ME293193
-
-
2547
-
serotonin
Serotonin
ME293253
5202
C00780
2550
-
3-methoxytyrosine
3-Methoxytyrosine
ME293255
1670
-
2555
-
S-methylmethionine
S-Methylmethionine
ME293239
458
C05319
2555
-
adipoylcarnitine (C6-DC)
CAR DC6:0
ME293294
71296139
-
2570
-
indolin-2-one
Indolin-2-one
ME293355
321710
C12312
2575
-
propionylcarnitine (C3)
CAR 3:0
ME293290
107738
C03017
2590
-
indolelactate
Indolelactic acid
ME293249
92904
C02043
2600
-
anthranilate
2-Aminobenzoic acid
ME293248
227
C00108
2606
-
gamma-glutamylmethionine
gamma-Glutamylmethionine
ME293345
7009567
-
2640
-
glutathione, oxidized (GSSG)
Oxidized glutathione
ME293194
65359
C00127
2667
-
N6-carboxyethyllysine
N(6)-(2-Carboxyethyl)-lysine
ME293229
-
-
2695
-
gamma-glutamylvaline
gamma-Glutamylvaline
ME293349
7015683
-
2700
-
gamma-glutamyl-epsilon-lysine
Epsilon-(gamma-Glutamyl)-lysine
ME293337
7015685
-
2717
-
kynurenine
Kynurenine
ME293251
161166
C00328
2739
-
gamma-glutamylhistidine
gamma-Glutamylhistidine
ME293342
7017195
-
2740
-
argininosuccinate
Argininosuccinic acid
ME293260
828
C03406
2745
-
5-methylthioadenosine (MTA)
5'-Methylthioadenosine
ME293244
439176
C00170
2752
-
pimeloylcarnitine/3-methyladipoylcarnitine (C7-DC)
CAR DC7:0
ME293296
-
-
2773
-
gamma-glutamyl-alpha-lysine
gamma-Glutamyllysine
ME293336
65254
-
2784
-
5-hydroxylysine
5-Hydroxylysine
ME293224
1029
C16741
2790
-
isoleucine
Isoleucine
ME293218
6306
C00407
2800
-
ornithine
Ornithine
ME293269
6262
C00077
2800
-
isobutyrylcarnitine (C4)
CAR 3:0;2Me
ME293217
168379
-
2810
-
arginine
Arginine
ME293259
232
C00062
2825
-
N6,N6,N6-trimethyllysine
N-6-Trimethyllysine
ME293228
440120
C03793
2825
-
N-monomethylarginine
Targinine
ME293268
132862
C03884
2845
-
dimethylarginine (SDMA + ADMA)
Dimethylarginine
ME293262
123831
C03626
2850
-
lysine
Lysine
ME293226
5962
C00047
2850
-
butyrylcarnitine (C4)
CAR 4:0
ME293289
439829
C02862
2860
-
leucine
Leucine
ME293220
5246661
-
2864
-
phenylalanine
Phenylalanine
ME293241
6140
C00079
2878
-
homoarginine
Homoarginine
ME293263
9085
C01924
2882
-
anserine
Anserine
ME293207
112072
C01262
2924
-
gamma-glutamylisoleucine
gamma-Glutamylisoleucine
ME293343
14253342
-
2940
-
carnosine
Carnosine
ME293208
439224
C00386
2942
-
tiglylcarnitine (C5:1-DC)
CAR DC5:1
ME293221
22833596
-
2962
-
suberoylcarnitine (C8-DC)
CAR DC8:0
ME293297
-
-
2964
-
gamma-glutamyltryptophan
gamma-Glutamyltryptophan
ME293347
3989307
-
2975
-
tryptophan
Tryptophan
ME293254
6305
C00078
2986
-
gamma-glutamylleucine
gamma-Glutamylleucine
ME293344
151023
-
2991
-
gamma-glutamylphenylalanine
gamma-Glutamylphenylalanine
ME293346
111299
-
2992
-
putrescine
Putrescine
ME293246
1045
C00134
3027
-
histamine
Histamine
ME293210
774
C00388
3035
-
1-methylhistamine
1-Methylhistamine
ME293204
3614
C05127
3040
-
2-methylbutyrylcarnitine (C5)
CAR 4:0;2Me
ME293215
6426901
-
3050
-
(N(1) + N(8))-acetylspermidine
Asparagine
ME293242
-
-
3080
-
isovalerylcarnitine (C5)
CAR 4:0;3Me
ME293219
6426851
-
3085
-
2-aminoheptanoate
2-Aminoheptanoic acid
ME293300
227939
-
3160
-
indolepropionate
3-Indolepropionic acid
ME293250
3744
-
3205
-
hexanoylcarnitine (C6)
CAR 6:0
ME293295
6426853
-
3308
-
spermidine
Spermidine
ME293247
1102
C00315
3355
-
methyl indole-3-acetate
Indole-3-methyl acetate
ME293356
74706
-
3380
-
methylphosphate
Methanolphosphate
ME293311
13130
-
544
-
phosphate
Phosphoric acid
ME293285
1061
C00009
576
-
glycerophosphoserine
sn-Glycero-3-phosphoserine
ME293308
3081457
-
577
-
glycerol 3-phosphate
sn-Glycero-3-phosphate
ME293303
754
C00093
580
-
uridine 5'-monophosphate (UMP)
UMP
ME293333
6030
C00105
590
-
cysteine sulfinic acid
3-Sulfino-alanine
ME293234
109
C00606
597
-
inosine 5'-monophosphate (IMP)
IMP
ME293312
8582
C00130
650
-
glycerophosphoethanolamine
sn-Glycero-3-phosphoethanolamine
ME293306
123874
C01233
659
-
taurine
Taurine
ME293240
1123
C00245
660
-
glycerophosphorylcholine (GPC)
sn-Glycero-3-phosphocholine
ME293307
71920
C00670
672
-
choline phosphate
Choline phosphate
ME293305
1014
C00588
700
-
phosphoethanolamine
Phosphoethanolamine
ME293309
1015
C00346
700
-
urea
Urea
ME293273
1176
C00086
700
-
N-acetylglucosamine/N-acetylgalactosamine
N-Acetylhexosamine
ME293274
24139
-
715
-
N-acetylasparagine
N-Acetylasparagine
ME293181
99715
-
785
-
5-methylthioribose
5-Methylthioribose
ME293231
494
-
790
-
guanosine 5'- monophosphate (5'-GMP)
GMP
ME293319
6804
C00144
800
-
uracil
Uracil
ME293332
1174
C00106
827
-
dimethyl sulfone
Dimethyl sulfone
ME293350
6213
C11142
832
-
cytidine 5'-monophosphate (5'-CMP)
CMP
ME293327
6131
C00055
835
-
ergothioneine
Ergothioneine
ME293352
3032311
C05570
850
-
3-ureidopropionate
Ureidopropionic acid
ME293330
111
C02642
875
-
nicotinamide N-oxide
Nicotinamide N-oxide
ME293280
72661
-
877
-
S-methylcysteine sulfoxide
2-amino-3-methanesulfinylpropanoic acid
ME293238
82142
-
900
-
picolinate
Picolinic acid
ME293252
1018
C10164
910
-
2-hydroxyglutarate
2-Hydroxyglutaric acid
ME293301
43
C02630
958
-
Analysis: Reversed phase (late) POSITIVE ION MODE
Select
Metabolite Name
RefMet Name/Standardized Name*
WorkBenchMetabolite_ID
PubChemCompound_ID
Kegg Id
Retentiontime/index
m/z ratio
biliverdin
Biliverdin
ME293359
5353439
C00500
1016
-
cis-4-decenoylcarnitine (C10:1)
CAR 10:1
ME293410
-
-
1057
-
heme
Heme
ME293360
26945
C00032
1124
-
decanoylcarnitine (C10)
CAR 10:0
ME293411
10245190
-
1130
-
5-dodecenoylcarnitine (C12:1)
CAR 12:1(5)
ME293406
-
-
1135
-
octadecenedioylcarnitine (C18:1-DC)
CAR DC18:1
ME293424
-
-
1180
-
octadecanedioylcarnitine (C18-DC)
CAR DC18:0
ME293423
-
-
1227
-
laurylcarnitine (C12)
CAR 12:0
ME293415
10427569
-
1235
-
linolenoylcarnitine (C18:3)
CAR 18:3
ME293417
-
-
1310
-
myristoleoylcarnitine (C14:1)
CAR 14:1
ME293420
90659872
-
1316
-
myristoylcarnitine (C14)
CAR 14:0
ME293421
6426854
-
1350
-
sphingadienine
Sphingadienine
ME293504
6449795
-
1350
-
arachidonoylcarnitine (C20:4)
CAR 20:4
ME293407
-
-
1353
-
palmitoleoylcarnitine (C16:1)
CAR 16:1
ME293427
71464547
-
1357
-
pentadecanoylcarnitine (C15)
CAR 15:0
ME293429
-
-
1362
-
docosahexaenoylcholine
-
ME293399
-
-
1378
-
3-hydroxypalmitoylcarnitine
CAR 16:0;3OH
ME293405
-
-
1380
-
linoleoylcholine
alpha-Linoleoylcholine
ME293400
-
-
1388
-
arachidonoylcholine
Arachidonoylcholine
ME293398
-
-
1390
-
dihomo-linolenoylcarnitine (C20:3n3 or 6)
CAR 20:3
ME293412
-
-
1392
-
sphingosine
Sphingosine
ME293527
5353955
C00319
1393
-
3-hydroxyoleoylcarnitine
CAR 18:1(9Z);3OH
ME293404
-
-
1406
-
1-linolenoyl-GPC (18:3)
LPC 18:3
ME293438
-
-
1410
-
sphinganine
Sphinganine
ME293505
3126
C00836
1413
-
protoporphyrin IX
Protoporphyrin
ME293361
4971
C02191
1417
-
oleoylcarnitine (C18:1)
CAR 18:1
ME293426
6441392
-
1423
-
margaroylcarnitine (C17)
CAR 17:0
ME293419
-
-
1424
-
palmitoylcarnitine (C16)
CAR 16:0
ME293428
461
C02990
1425
-
linoleoylcarnitine (C18:2)
CAR 18:2
ME293418
6450015
-
1430
-
sphinganine-1-phosphate
Sphinganine 1-phosphate
ME293506
520
-
1431
-
dihomo-linoleoylcarnitine (C20:2)
CAR 20:2
ME293413
-
-
1436
-
oleoylcholine
Oleoylcholine
ME293401
-
-
1449
-
1-palmitoleoyl-GPC (16:1)
LPC 16:1/0:0
ME293443
24779461
-
1450
-
1-arachidonoyl-GPC (20:4n6)
LPC 20:4/0:0
ME293435
-
C05208
1460
-
1-linoleoyl-GPC (18:2)
LPC 18:2/0:0
ME293439
11988421
C04100
1465
-
1-arachidonoyl-GPE (20:4n6)
LPE 20:4/0:0
ME293436
42607465
-
1470
-
1-linoleoyl-GPE (18:2)
LPE 18:2/0:0
ME293440
52925130
-
1482
-
palmitoylcholine
Palmitoylcholine
ME293402
151731
-
1482
-
eicosenoylcarnitine (C20:1)
CAR 20:1
ME293414
-
-
1484
-
stearoylcarnitine (C18)
CAR 18:0
ME293430
6426855
-
1485
-
arachidoylcarnitine (C20)
CAR 20:0
ME293408
-
-
1512
-
stearoylcholine
Stearoylcholine
ME293403
-
-
1520
-
1-palmitoyl-GPC (16:0)
LPC 16:0/0:0
ME293444
86554
-
1525
-
1-oleoyl-GPC (18:1)
LPC 18:1/0:0
ME293441
16081932
-
1540
-
1-docosahexaenoylglycerol (22:6)
MG 22:6
ME293452
-
-
1542
-
1-palmitoyl-GPE (16:0)
LPE 16:0/0:0
ME293445
9547069
-
1544
-
1-(1-enyl-palmitoyl)-GPC (P-16:0)
LPC P-16:0 or LPC O-16:1
ME293449
10917802
-
1547
-
1-oleoyl-GPE (18:1)
LPE 18:1/0:0
ME293442
9547071
-
1554
-
1-(1-enyl-palmitoyl)-GPE (P-16:0)
LPE P-16:0 or LPE O-16:1
ME293450
-
-
1558
-
behenoylcarnitine (C22)
CAR 22:0
ME293409
-
-
1561
-
1-(1-enyl-oleoyl)-GPE (P-18:1)
LPE P-18:1 or LPE O-18:2
ME293448
-
-
1566
-
nervonoylcarnitine (C24:1)
CAR 24:1
ME293422
-
-
1602
-
lignoceroylcarnitine (C24)
CAR 24:0
ME293416
-
-
1603
-
1-stearoyl-GPC (18:0)
LPC 18:0/0:0
ME293446
497299
-
1606
-
1-stearoyl-GPE (18:0)
LPE 18:0/0:0
ME293447
9547068
-
1626
-
retinol (Vitamin A)
Retinol
ME293368
445354
C00473
1636
-
1-(1-enyl-stearoyl)-GPE (P-18:0)
LPE P-18:0 or LPE O-18:1
ME293451
-
-
1649
-
oleoyl ethanolamide
Oleoyl-EA
ME293397
5283454
-
1661
-
retinal
Retinal
ME293367
638015
C00376
1666
-
carotene diol (1)
Carotene diol
ME293364
-
-
1720
-
bilirubin (Z,Z)
Bilirubin
ME293358
5280352
C00486
1840
-
1-palmitoleoyl-2-linolenoyl-GPC (16:1/18:3)
PC 16:1_18:3
ME293460
-
-
1850
-
sphingomyelin (d18:2/14:0, d18:1/14:1)
SM 32:2;O2
ME293519
-
-
1860
-
carotene diol (2)
Carotene diol
ME293365
-
-
1904
-
sphingomyelin (d18:2/18:1)
SM 18:2;O2/18:1
ME293521
-
-
1904
-
1-lignoceroyl-GPC (24:0)
LPC 24:0/0:0
ME293437
-
-
1907
-
1-myristoyl-2-arachidonoyl-GPC (14:0/20:4)
PC 14:0/20:4
ME293457
-
-
1914
-
1-linoleoyl-2-linolenoyl-GPC (18:2/18:3)
PC 18:2/18:3
ME293456
-
-
1939
-
carotene diol (3)
Carotene diol
ME293366
-
-
1948
-
1-linoleoyl-2-arachidonoyl-GPC (18:2/20:4n6)
PC 18:2/20:4
ME293455
-
-
1969
-
sphingomyelin (d18:1/14:0, d16:1/16:0)
SM 32:1;O2
ME293509
11433862
-
1998
-
sphingomyelin (d18:2/16:0, d18:1/16:1)
SM 34:2;O2
ME293520
-
-
2002
-
1,2-dilinoleoyl-GPC (18:2/18:2)
PC 18:2/18:2
ME293453
5288075
-
2006
-
1-oleoyl-2-docosahexaenoyl-GPC (18:1/22:6)
PC 18:1/22:6
ME293459
-
-
2011
-
1-palmitoyl-2-docosahexaenoyl-GPC (16:0/22:6)
PC 16:0/22:6
ME293462
6441886
-
2023
-
1-linoleoyl-2-arachidonoyl-GPE (18:2/20:4)
PE 18:2_20:4
ME293474
-
-
2030
-
1-palmitoyl-2-gamma-linolenoyl-GPC (16:0/18:3n6)
PC 16:0_18:3
ME293463
-
-
2034
-
sphingomyelin (d17:1/16:0, d18:1/15:0, d16:1/17:0)
SM 33:1;O2
ME293507
-
-
2082
-
1,2-dilinoleoyl-GPE (18:2/18:2)
PE 18:2/18:2
ME293472
9546812
-
2083
-
1-palmitoyl-2-arachidonoyl-GPC (16:0/20:4n6)
PC 16:0/20:4
ME293461
10747814
-
2091
-
1-palmitoyl-2-docosahexaenoyl-GPE (16:0/22:6)
PE 16:0/22:6
ME293478
9546799
-
2119
-
1-myristoyl-2-palmitoyl-GPC (14:0/16:0)
PC 14:0/16:0
ME293458
129657
-
2147
-
1-(1-enyl-palmitoyl)-2-arachidonoyl-GPC (P-16:0/20...
PC P-16:0/20:4 or PC O-16:1/20:4
ME293489
-
-
2154
-
1-palmitoyl-2-linoleoyl-GPC (16:0/18:2)
PC 16:0/18:2
ME293464
5287971
-
2160
-
1-palmitoyl-2-palmitoleoyl-GPC (16:0/16:1)
PC 16:0/16:1
ME293466
-
-
2160
-
sphingomyelin (d18:1/18:1, d18:2/18:0)
SM 36:2;O2
ME293511
6443882
-
2167
-
palmitoyl sphingomyelin (d18:1/16:0)
SM 18:1;O2/16:0
ME293503
9939941
-
2168
-
1-stearoyl-2-docosahexaenoyl-GPC (18:0/22:6)
PC 18:0/22:6
ME293469
-
-
2197
-
1-palmitoyl-2-arachidonoyl-GPE (16:0/20:4)
PE 16:0/20:4
ME293477
9546800
-
2198
-
1-oleoyl-2-arachidonoyl-GPE (18:1/20:4)
PE 18:1/20:4
ME293475
-
-
2200
-
sphingomyelin (d18:1/22:2, d18:2/22:1, d16:1/24:2)
SM 40:3;O2
ME293517
-
-
2209
-
sphingomyelin (d18:2/24:2)
SM 18:2;O2/24:2
ME293526
-
-
2215
-
1-(1-enyl-palmitoyl)-2-linoleoyl-GPC (P-16:0/18:2)
PC P-16:0/18:2 or PC O-16:1/18:2
ME293491
-
-
2226
-
1-(1-enyl-palmitoyl)-2-arachidonoyl-GPE (P-16:0/20...
PE P-16:0/20:4 or PE O-16:1/20:4
ME293490
-
-
2270
-
1-oleoyl-2-linoleoyl-GPE (18:1/18:2)
PE 18:1/18:2
ME293476
9546753
-
2270
-
1-palmitoyl-2-linoleoyl-GPE (16:0/18:2)
PE 16:0/18:2
ME293479
9546747
-
2275
-
palmitoyl dihydrosphingomyelin (d18:0/16:0)
SM 18:0;O2/16:0
ME293502
9939965
-
2290
-
1-stearoyl-2-arachidonoyl-GPC (18:0/20:4)
PC 18:0/20:4
ME293468
16219824
-
2300
-
sphingomyelin (d18:1/17:0, d17:1/18:0, d19:1/16:0)
SM 35:1;O2
ME293510
-
-
2312
-
sphingomyelin (d18:2/23:1)
SM 18:2;O2/23:1
ME293524
-
-
2315
-
sphingomyelin (d18:1/19:0, d19:1/18:0)
SM 37:1;O2
ME293512
-
-
2330
-
sphingomyelin (d18:2/21:0, d16:2/23:0)
SM 39:2;O2
ME293522
-
-
2330
-
1-(1-enyl-palmitoyl)-2-linoleoyl-GPE (P-16:0/18:2)
PE P-16:0/18:2 or PE O-16:1/18:2
ME293492
-
-
2351
-
1-palmitoyl-2-oleoyl-GPC (16:0/18:1)
PC 16:0/18:1
ME293465
6436017
-
2358
-
sphingomyelin (d18:0/18:0, d19:0/17:0)
SM 36:0;O2
ME293508
-
-
2362
-
1,2-dipalmitoyl-GPC (16:0/16:0)
PC 16:0/16:0
ME293454
452110
-
2365
-
1-stearoyl-2-linoleoyl-GPC (18:0/18:2)
PC 18:0/18:2
ME293470
-
-
2380
-
sphingomyelin (d18:1/20:1, d18:2/20:0)
SM 38:2;O2
ME293514
-
-
2383
-
gamma-tocopherol/beta-tocopherol
beta-tocopherol
ME293363
-
-
2384
-
stearoyl sphingomyelin (d18:1/18:0)
SM 18:1;O2/18:0
ME293528
6453725
C00550
2400
-
1-stearoyl-2-arachidonoyl-GPE (18:0/20:4)
PE 18:0/20:4
ME293481
5289133
-
2424
-
linoleoyl-linolenoyl-glycerol (18:2/18:3) [1]
DG 18:2_18:3
ME293380
-
-
2426
-
1-(1-enyl-palmitoyl)-2-oleoyl-GPC (P-16:0/18:1)
PC P-16:0/18:1 or PC O-16:1/18:1
ME293493
-
-
2443
-
linoleoyl-docosahexaenoyl-glycerol (18:2/22:6) [1]
DG 18:2_22:6
ME293378
-
-
2450
-
1-(1-enyl-palmitoyl)-2-palmitoyl-GPC (P-16:0/16:0)
PC P-16:0/16:0 or PC O-16:1/16:0
ME293495
11146967
-
2454
-
linoleoyl-linolenoyl-glycerol (18:2/18:3) [2]
DG 18:2_18:3
ME293381
-
-
2478
-
1,2-dipalmitoyl-GPE (16:0/16:0)
PE 16:0/16:0
ME293473
445468
-
2498
-
linoleoyl-docosahexaenoyl-glycerol (18:2/22:6) [2]
DG 18:2_22:6
ME293379
-
-
2500
-
1-palmitoyl-2-oleoyl-GPE (16:0/18:1)
PE 16:0/18:1
ME293480
5283496
-
2509
-
1-(1-enyl-stearoyl)-2-arachidonoyl-GPE (P-18:0/20:...
PE P-18:0/20:4 or PE O-18:1/20:4
ME293496
9547058
-
2511
-
4-cholesten-3-one
Cholestenone
ME293530
91477
C00599
2520
-
1-stearoyl-2-linoleoyl-GPE (18:0/18:2)
PE 18:0/18:2
ME293482
9546749
-
2522
-
alpha-tocopherol
alpha-Tocopherol
ME293362
14985
C02477
2522
-
1-palmitoyl-2-arachidonoyl-GPI (16:0/20:4)
PI 16:0/20:4
ME293485
-
-
2567
-
1-oleoyl-2-arachidonoyl-GPI (18:1/20:4)
PI 18:1/20:4
ME293484
-
-
2568
-
linoleoyl-arachidonoyl-glycerol (18:2/20:4) [1]
DG 18:2_20:4
ME293376
-
-
2590
-
1-(1-enyl-palmitoyl)-2-oleoyl-GPE (P-16:0/18:1)
PE P-16:0/18:1 or PE O-16:1/18:1
ME293494
-
-
2600
-
glycosyl-N-palmitoyl-sphingosine (d18:1/16:0)
HexCer 18:1;O2/16:0
ME293433
-
-
2623
-
1-(1-enyl-stearoyl)-2-linoleoyl-GPE (P-18:0/18:2)
PE P-18:0/18:2 or PE O-18:1/18:2
ME293497
-
-
2633
-
sphingomyelin (d18:2/24:1, d18:1/24:2)
SM 42:3;O2
ME293525
-
-
2635
-
1-stearoyl-2-oleoyl-GPC (18:0/18:1)
PC 18:0/18:1
ME293471
-
-
2644
-
linoleoyl-arachidonoyl-glycerol (18:2/20:4) [2]
DG 18:2_20:4
ME293377
-
-
2650
-
1-palmitoyl-2-stearoyl-GPC (16:0/18:0)
PC 16:0/18:0
ME293467
-
-
2653
-
palmitoleoyl-linoleoyl-glycerol (16:1/18:2) [1]
DG 16:1_18:2
ME293388
-
-
2664
-
sphingomyelin (d18:1/22:1, d18:2/22:0, d16:1/24:1)
SM 40:2;O2
ME293516
-
-
2666
-
sphingomyelin (d18:1/20:0, d16:1/22:0)
SM 38:1;O2
ME293513
-
-
2685
-
cholesterol
Cholesterol
ME293533
11025495
C00187
2707
-
linoleoyl-linoleoyl-glycerol (18:2/18:2) [1]
DG 18:2_18:2
ME293382
-
-
2720
-
1-palmitoyl-2-linoleoyl-GPI (16:0/18:2)
PI 16:0/18:2
ME293486
-
-
2730
-
diacylglycerol (16:1/18:2 [2], 16:0/18:3 [1])
DG 34:3
ME293375
-
-
2733
-
sphingomyelin (d18:1/21:0, d17:1/22:0, d16:1/23:0)
SM 39:1;O2
ME293515
-
-
2793
-
sphingomyelin (d18:2/23:0, d18:1/23:1, d17:1/24:1)
SM 41:2;O2
ME293523
-
-
2845
-
1-stearoyl-2-oleoyl-GPE (18:0/18:1)
PE 18:0/18:1
ME293483
-
-
2858
-
campesterol
Campesterol
ME293532
173183
C01789
2873
-
N-palmitoyl-sphingosine (d18:1/16:0)
Cer 18:1;O2/16:0
ME293373
5283564
-
2893
-
palmitoyl-arachidonoyl-glycerol (16:0/20:4) [1]
DG 16:0_20:4
ME293389
-
-
2916
-
1-(1-enyl-stearoyl)-2-oleoyl-GPE (P-18:0/18:1)
PE P-18:0/18:1 or PE O-18:1/18:1
ME293498
-
-
2950
-
oleoyl-arachidonoyl-glycerol (18:1/20:4) [2]
DG 18:1_20:4
ME293383
-
-
2990
-
1-stearoyl-2-arachidonoyl-GPI (18:0/20:4)
PI 18:0/20:4
ME293487
-
-
3000
-
palmitoyl-arachidonoyl-glycerol (16:0/20:4) [2]
DG 16:0_20:4
ME293390
-
-
3015
-
sphingomyelin (d18:1/24:1, d18:2/24:0)
SM 42:2;O2
ME293518
-
-
3033
-
glycosyl-N-stearoyl-sphingosine (d18:1/18:0)
HexCer 18:1;O2/18:0
ME293434
-
-
3053
-
beta-sitosterol
Sitosterol
ME293531
222284
C01753
3054
-
palmitoyl-linoleoyl-glycerol (16:0/18:2) [1]
DG 16:0_18:2
ME293391
9543695
-
3080
-
behenoyl sphingomyelin (d18:1/22:0)
SM 18:1;O2/22:0
ME293500
-
-
3083
-
N-palmitoyl-sphinganine (d18:0/16:0)
Cer 18:0;O2/16:0
ME293396
5283572
-
3090
-
oleoyl-linoleoyl-glycerol (18:1/18:2) [1]
DG 18:1_18:2
ME293384
-
-
3115
-
behenoyl dihydrosphingomyelin (d18:0/22:0)
SM 18:0;O2/22:0
ME293499
-
-
3150
-
1-stearoyl-2-linoleoyl-GPI (18:0/18:2)
PI 18:0/18:2
ME293488
-
-
3185
-
palmitoyl-linoleoyl-glycerol (16:0/18:2) [2]
DG 16:0_18:2
ME293392
-
-
3197
-
tricosanoyl sphingomyelin (d18:1/23:0)
SM 18:1;O2/23:0
ME293529
-
-
3200
-
oleoyl-linoleoyl-glycerol (18:1/18:2) [2]
DG 18:1_18:2
ME293385
-
-
3223
-
glycosyl ceramide (d18:2/24:1, d18:1/24:2)
HexCer 42:3;O2
ME293432
-
-
3380
-
N-stearoyl-sphingosine (d18:1/18:0)
Cer 18:1;O2/18:0
ME293374
5283565
-
3392
-
stearoyl-arachidonoyl-glycerol (18:0/20:4) [1]
DG 18:0_20:4
ME293394
-
-
3404
-
glycosyl ceramide (d18:1/20:0, d16:1/22:0)
HexCer 38:1;O2
ME293431
-
-
3414
-
lignoceroyl sphingomyelin (d18:1/24:0)
SM 18:1;O2/24:0
ME293501
-
-
3437
-
oleoyl-oleoyl-glycerol (18:1/18:1) [1]
DG 18:1_18:1
ME293386
-
-
3571
-
oleoyl-oleoyl-glycerol (18:1/18:1) [2]
DG 18:1_18:1
ME293387
-
-
3695
-
palmitoyl-oleoyl-glycerol (16:0/18:1) [2]
DG 16:0_18:1
ME293393
-
C13861
3695
-
stearoyl-linoleoyl-glycerol (18:0/18:2) [2]
DG 18:0_18:2
ME293395
-
-
3762
-
ceramide (d16:1/24:1, d18:1/22:1)
Cer 40:2;O2
ME293369
-
-
3850
-
ceramide (d18:2/24:1, d18:1/24:2)
Cer 42:3;O2
ME293371
-
-
3858
-
N-behenoyl-sphingadienine (d18:2/22:0)
Cer 18:2;O2/22:0
ME293372
-
-
3911
-
ceramide (d18:1/20:0, d16:1/22:0, d20:1/18:0)
Cer 38:1;O2
ME293370
-
-
3920
-
octanoylcarnitine (C8)
CAR 8:0
ME293425
123701
C02838
950
-
Analysis: Reversed phase NEGATIVE ION MODE
Select
Metabolite Name
RefMet Name/Standardized Name*
WorkBenchMetabolite_ID
PubChemCompound_ID
Kegg Id
Retentiontime/index
m/z ratio
4-hydroxycinnamate sulfate
4-Hydroxycinnamate sulfate
ME293585
6070438
-
1000
-
HEPES
-
ME293806
23831
-
1022
-
beta-hydroxyisovalerate
3-Hydroxyisovaleric acid
ME293553
69362
-
1027
-
homovanillate sulfate
Homovanillic acid
ME293589
29981063
-
1047
-
methyl glucopyranoside (alpha + beta)
Methyl glucose
ME293832
-
-
1070
-
S-methylglutathione
S-Methylglutathione
ME293538
3605667
C11347
1075
-
xanthosine
Xanthosine
ME293756
64959
C01762
1075
-
pseudouridine
Pseudouridine
ME293768
15047
C02067
1100
-
5,6-dihydrouridine
5,6-Dihydrouridine
ME293765
94312
-
1119
-
5,6-dihydrouracil
Dihydrouracil
ME293764
649
C00429
1120
-
alpha-hydroxyisovalerate
2-Hydroxy-3-methylbutyric acid
ME293552
99823
-
1126
-
ferulic acid 4-sulfate
Ferulic acid 4-sulfate
ME293827
6305574
-
1200
-
1-methylhistidine
1-Methylhistidine
ME293540
92105
C01152
1227
-
N-acetylcarnosine
N-Acetylcarnosine
ME293544
9903482
-
1235
-
5-hydroxyhexanoate
5-Hydroxycaproic acid
ME293672
170748
-
1267
-
azelate (C9-DC)
Azelaic acid
ME293640
2266
C08261
1276
-
3-hydroxysebacate
3-Hydroxysebacic acid
ME293670
3017884
-
1282
-
hypoxanthine
Hypoxanthine
ME293752
790
C00262
1291.2
-
3-(3-hydroxyphenyl)propionate sulfate
3-(3-Sulfooxyphenyl)propanoic acid
ME293778
187488
-
1294
-
4-hydroxyphenylacetate
4-Hydroxyphenyl acetate
ME293569
127
C00642
1361
-
N2,N5-diacetylornithine
N2,N5-Diacetylornithine
ME293599
10398396
-
1367
-
3-(4-hydroxyphenyl)lactate
Hydroxyphenyllactic acid
ME293584
9378
C03672
1379
-
hydroquinone sulfate
Quinol sulfate
ME293810
161220
C00530
1395
-
biopterin
Biopterin
ME293609
445040
C06313
1398
-
isobutyrylglycine
Isobutyrylglycine
ME293554
10855600
-
1420
-
4-hydroxycinnamate
cis-p-Coumaric acid
ME293814
637542
C00811
1457
-
uridine
Uridine
ME293769
6029
C00299
1457.6
-
butyrylglycine
N-Butyrylglycine
ME293626
88412
-
1470
-
4-hydroxyhippurate
4-Hydroxyhippuric acid
ME293786
151012
-
1475
-
xanthurenate
Xanthurenic acid
ME293583
5699
C02470
1476
-
pantothenate
Pantothenic acid
ME293606
6613
C00864
1498.7
-
5-hydroxyindoleacetate
5-Hydroxyindoleacetic acid
ME293575
1826
C05635
1510.2
-
N-(2-furoyl)glycine
2-Furoylglycine
ME293833
21863
-
1525
-
N-formylmethionine
N-Formylmethionine
ME293566
439750
C03145
1543.8
-
isovalerate (i5:0)
Isovaleric acid
ME293555
10430
C08262
1564
-
S-(3-hydroxypropyl)mercapturic acid (HPMA)
N-Acetyl-S-(3-hydroxypropyl)-cysteine
ME293808
3371179
-
1576
-
2'-deoxyuridine
Deoxyuridine
ME293762
13712
C00526
1586
-
3-hydroxypyridine sulfate
3-Hydroxypyridine sulfate
ME293803
-
-
1595.5
-
inosine
Inosine
ME293753
6021
C00294
1602.1
-
N2,N6-diacetyllysine
N,N'-Diacetyl-lysine
ME293562
91827
-
1604
-
phenylacetylglutamate
N-Phenylacetylglutamic acid
ME293774
11579826
-
1630
-
thymine
Thymine
ME293761
1135
C00178
1654
-
N1-Methyl-2-pyridone-5-carboxamide
N1-Methyl-2-pyridone-5-carboxamide
ME293605
69698
C05842
1668
-
3-(4-hydroxyphenyl)propionate
Desaminotyrosine
ME293779
10394
C01744
1670
-
2-aminophenol sulfate
2-Aminophenyl sulfate
ME293801
181670
-
1677
-
N-acetyltyrosine
N-Acetyltyrosine
ME293591
68310
-
1680
-
4-hydroxyphenylpyruvate
4-Hydroxyphenylpyruvic acid
ME293587
979
C01179
1690
-
N-acetylvaline
N-Acetylvaline
ME293559
66789
-
1704
-
1,2,3-benzenetriol sulfate (2)
-
ME293800
-
-
1709
-
indole-3-carboxylic acid
Indole-3-carboxylic acid
ME293577
69867
C19837
1710
-
3-hydroxyhexanoate
3S-Hydroxyhexanoic acid
ME293665
151492
-
1725
-
benzoate
Benzoic acid
ME293789
243
C00180
1750
-
ferulate
trans-Ferulic acid
ME293826
445858
C01494
1755
-
C-glycosyltryptophan
C-Glycosyltryptophan
ME293576
10981970
-
1777
-
5-methyluridine (ribothymidine)
Ribothymidine
ME293766
445408
-
1778.1
-
N-acetylmethionine
N-Acetylmethionine
ME293563
448580
C02712
1787
-
sebacate (C10-DC)
Sebacic acid
ME293650
5192
C08277
1788
-
2-(4-hydroxyphenyl)propionate
4-Hydroxyphenyl-2-propionic acid
ME293776
102526
C03080
1797.3
-
2-hydroxy-3-methylvalerate
2-Hydroxy-3-methyl-pentanoic acid
ME293546
164623
-
1800
-
phenol glucuronide
Phenyl glucuronide
ME293594
87235
-
1800
-
2'-O-methyluridine
2'-O-Methyluridine
ME293763
102212
-
1831
-
S-adenosylhomocysteine (SAH)
S-Adenosylhomocysteine
ME293567
439155
C00021
1832.4
-
alpha-hydroxyisocaproate
2-Hydroxyisocaproic acid
ME293551
83697
C03264
1840
-
2-methylbutyrylglycine
2-Methylbutyrylglycine
ME293547
193872
-
1884
-
catechol sulfate
Catechol sulfate
ME293790
3083879
-
1906
-
dihydroferulic acid
Dihydroferulic acid
ME293823
14340
-
1928
-
indoxyl glucuronide
Inodxyl glucuronide
ME293590
2733785
-
1940
-
isovalerylglycine
Isovalerylglycine
ME293556
546304
-
1950
-
thymidine
Thymidine
ME293760
5789
C00214
1963.7
-
3-(3-hydroxyphenyl)propionate
3-(3-Hydroxyphenyl)propanoic acid
ME293777
91
C11457
1980
-
p-hydroxybenzaldehyde
4-Hydroxybenzaldehyde
ME293797
126
C00633
2040
-
3-methyl-2-oxovalerate
3-Methyl-2-oxovaleric acid
ME293549
47
C00671
2064.2
-
adenosine
Adenosine
ME293757
60961
C00212
2075.4
-
hippurate
Hippuric acid
ME293792
464
C01586
2106.9
-
phenylacetate
Phenyl acetate
ME293571
999
C07086
2150
-
phenol sulfate
Phenyl hydrogen sulfate
ME293595
74426
C02180
2156
-
N6-carbamoylthreonyladenosine
N6-Carbamoyl-L-threonyladenosine
ME293758
161466
-
2164
-
4-methyl-2-oxopentanoate
Ketoleucine
ME293550
70
C00233
2170
-
pyridoxate
4-Pyridoxic acid
ME293610
6723
C00847
2185
-
3-methoxycatechol sulfate (2)
-
ME293780
-
-
2200
-
indoleacetate
Indoleacetic acid
ME293578
802
C00954
2200
-
phenyllactate (PLA)
Phenyllactic acid
ME293572
3848
C05607
2208
-
3-indoxyl sulfate
Indoxyl sulfate
ME293574
10258
-
2222.2
-
kynurenate
Kynurenic acid
ME293580
3845
C01717
2224
-
pyrraline
Pyrraline
ME293835
122228
-
2304
-
N-acetylisoleucine
N-Acetylisoleucine
ME293557
2802421
-
2325
-
guaiacol sulfate
Guaiacol sulfate
ME293791
22473
-
2344
-
N-formylphenylalanine
N-Formylphenylalanine
ME293592
759256
-
2360
-
4-acetylphenol sulfate
4-Acetylphenyl sulfate
ME293783
4684006
-
2375
-
N-acetylkynurenine (2)
N-Acetylkynurenine
ME293581
-
-
2378
-
N-acetylleucine
N-Acetylleucine
ME293558
70912
C02710
2400
-
4-methoxyphenol sulfate
4-Methoxyphenol sulfate
ME293588
-
-
2412
-
p-cresol-glucuronide
P-Cresol glucuronide
ME293593
154035
-
2420
-
flavin adenine dinucleotide (FAD)
FAD
ME293607
643975
C00016
2425
-
undecanedioate (C11-DC)
Undecanedioic acid
ME293653
15816
-
2440
-
3-acetylphenol sulfate
3-Acetylphenol sulfate
ME293802
-
-
2477
-
6-hydroxyindole sulfate
6-Hydroxyindole sulfate
ME293804
-
-
2498
-
indoleacrylate
Indoleacrylic acid
ME293831
15030923
-
2511
-
phenylpyruvate
Phenylpyruvic acid
ME293573
997
C00166
2515
-
N-acetylpyrraline
Dehydroepiandrosterone
ME293834
-
-
2545
-
daidzein glucuronide
Daidzein 7-O-glucuronide
ME293819
11316354
-
2580
-
N-acetylphenylalanine
N-Acetylphenylalanine
ME293570
74839
C03519
2597
-
indoleacetylglycine
N-Indoleacetylglycine
ME293579
446640
-
2610
-
2,8-quinolinediol sulfate
-
ME293811
-
-
2612
-
N-acetyltryptophan
N-Acetyl-tryptophan
ME293582
700653
C03137
2630
-
4-methylcatechol sulfate
-
ME293787
-
-
2665
-
dodecenedioate (C12:1-DC)
Traumatic acid
ME293643
-
-
2700
-
trans-2-hexenoylglycine
-
ME293633
-
-
2707
-
caproate (6:0)
Caproic acid
ME293704
8892
C01585
2713.7
-
3-methyl catechol sulfate (1)
-
ME293781
-
-
2790
-
o-cresol sulfate
o-Cresol sulfate
ME293795
11615528
-
2796
-
isocaproylglycine
Isocaproylglycine
ME293631
-
-
2820
-
daidzein sulfate (1)
-
ME293820
-
-
2843
-
3-phenylpropionate (hydrocinnamate)
Hydrocinnamic acid
ME293782
107
C05629
2860
-
methyl-4-hydroxybenzoate sulfate
Methyl-4-hydroxybenzoate sulfate
ME293794
-
-
2873
-
cinnamate
trans-Cinnamic acid
ME293816
444539
C00423
2878
-
p-cresol sulfate
p-Cresol sulfate
ME293796
4615423
-
2890
-
genistein glucuronide
-
ME293829
-
-
2895
-
hexanoylglycine
Hexanoylglycine
ME293630
99463
-
2900
-
phenylpropionylglycine
Phenylpropionylglycine
ME293798
152323
-
2945
-
dodecanedioate (C12-DC)
Dodecanedioic acid
ME293642
12736
C02678
2990
-
cinnamoylglycine
Cinnamoylglycine
ME293817
709625
-
3127
-
riboflavin (Vitamin B2)
Riboflavin
ME293608
493570
C00255
3160
-
4-ethylphenol glucuronide
-
ME293813
-
-
3167
-
equol glucuronide
-
ME293824
-
-
3215
-
4-vinylphenol sulfate
4-Hydroxystyrene
ME293788
6426766
C05627
3320
-
daidzein sulfate (2)
-
ME293821
-
-
3330
-
4-vinylguaiacol sulfate
4-Vinylguaiacol sulfate
ME293815
-
-
3354
-
2-aminooctanoate
2-Aminocaprylic acid
ME293634
69522
-
3385
-
3-hydroxyoctanoate
3-Hydroxyoctanoic acid
ME293668
26613
-
3446
-
daidzein
Daidzein
ME293818
5281708
C10208
3566
-
4-ethylphenylsulfate
4-Ethylphenol
ME293784
-
C13637
3580
-
genistein sulfate
-
ME293830
-
-
3616
-
equol sulfate
Equol 4'-sulfate
ME293825
-
-
3630
-
heptanoate (7:0)
Heptylic acid
ME293706
8094
C17714
3670
-
methyl-4-hydroxybenzoate
Methylparaben
ME293793
7456
D01400
3671
-
2-hydroxyoctanoate
2-Hydroxyoctanoic acid
ME293661
94180
-
3736.8
-
genistein
Genistein
ME293828
5280961
C06563
3754
-
4-allylphenol sulfate
4-Allylphenol sulfate
ME293812
-
-
3805
-
3,4-methylene heptanoylglycine
-
ME293628
-
-
3818
-
glucuronide of C14H22O4 (1)
-
ME293771
-
-
3891
-
glucuronide of C14H22O4 (2)
-
ME293772
-
-
3932
-
N-acetyl-2-aminooctanoate
N-Acetyl-2-aminooctanoic acid
ME293635
95555
-
3943
-
3-carboxy-4-methyl-5-pentyl-2-furanpropionate (3-C...
3-Carboxy-4-methyl-5-pentyl-2-furanpropanoic acid
ME293639
194501
-
4000
-
tetradecanedioate (C14-DC)
Tetradecanedioic acid
ME293652
13185
-
4000
-
glycine conjugate of C10H14O2 (1)
-
ME293773
-
-
4335
-
N-octanoylglycine
Capryloylglycine
ME293632
84290
-
4335.4
-
caprylate (8:0)
Caprylic acid
ME293705
379
C06423
4362
-
hexadecenedioate (C16:1-DC)
-
ME293646
-
-
4380
-
hexadecanedioate (C16-DC)
Hexadecanedioic acid
ME293645
10459
C19615
4615
-
3-hydroxydecanoate
3-Hydroxydecanoic acid
ME293664
26612
-
4634.7
-
ursocholate
Ursocholic acid
ME293746
-
-
4648
-
octadecadienedioate (C18:2-DC)
Octadecanedioic acid
ME293647
-
-
4676
-
dehydroisoandrosterone sulfate (DHEA-S)
Dehydroepiandrosterone sulfate
ME293615
12594
C04555
4745
-
glucuronide of C10H18O2 (12)
-
ME293770
-
-
4760
-
alpha-muricholate
alpha-Muricholic acid
ME293735
3083761
C17647
4765
-
tauro-beta-muricholate
Tauro-beta-muricholic acid
ME293739
168408
-
4774
-
beta-muricholate
beta-Muricholic acid
ME293736
5283853
C17726
4794
-
propyl 4-hydroxybenzoate
Propylparaben
ME293799
7175
D01422
4794
-
thyroxine
Thyroxine
ME293596
5819
C01829
4808
-
7-ketodeoxycholate
7-Ketodeoxycholic acid
ME293744
188292
-
4821
-
2-hydroxydecanoate
2-Hydroxycapric acid
ME293660
21488
-
4840
-
12-dehydrocholate
12-Ketochenodeoxycholic acid
ME293742
94235
-
4871
-
octadecenedioate (C18:1-DC)
-
ME293649
-
-
4875
-
tauroursodeoxycholate
Tauroursodeoxycholic acid
ME293750
9848818
-
5025
-
corticosterone
Corticosterone
ME293616
5753
C02140
5040
-
octadecanedioate (C18-DC)
Octadecanedioic acid
ME293648
70095
-
5043
-
3-dehydrocholate
3-Dehydrocholic acid
ME293743
159655
-
5050
-
ursodeoxycholate
Ursodeoxycholic acid
ME293747
31401
C07880
5055
-
taurohyodeoxycholic acid
Taurohyodeoxycholic acid
ME293749
119046
-
5073
-
caprate (10:0)
Capric acid
ME293703
2969
C01571
5090.7
-
12,13-DiHOME
12,13-DiHOME
ME293654
10236635
C14829
5137
-
dodecadienoate (12:2)
Dodecadienoic acid
ME293641
-
-
5146
-
taurocholate
Taurocholic acid
ME293741
6675
C05122
5150
-
glycocholate
Glycocholic acid
ME293738
10140
C01921
5163
-
cholate
Cholic acid
ME293737
221493
C00695
5165
-
12-HHTrE
12S-HHTrE
ME293619
5283141
C20388
5175
-
3-hydroxylaurate
3-Hydroxydodecanoic acid
ME293666
94216
-
5175
-
9,10-DiHOME
9,10-DiHOME
ME293655
9966640
C14828
5180
-
eicosanodioate (C20-DC)
Eicosanedioic acid
ME293644
75502
-
5200.9
-
5-dodecenoate (12:1n7)
5-Dodecenoic acid
ME293702
5312378
-
5224
-
16-hydroxypalmitate
Juniperic acid
ME293659
10466
C18218
5236.2
-
taurochenodeoxycholate
Taurochenodeoxycholic acid
ME293740
387316
C05465
5250
-
taurodeoxycholate
Taurodeoxycholic acid
ME293748
2733768
C05463
5257.4
-
12-HEPE
12-HEPE
ME293617
10041593
-
5265
-
13-HODE + 9-HODE
HODE
ME293657
43013
-
5275
-
7-alpha-hydroxy-3-oxo-4-cholestenoate (7-Hoca)
7alpha-Hydroxy-3-oxo-4-cholestenoic acid
ME293751
3081085
C17337
5288.1
-
deoxycholate
Deoxycholic acid
ME293745
222528
C04483
5294
-
14-HDoHE/17-HDoHE
-
ME293658
-
-
5296
-
15-HETE
15-HETE
ME293620
5280724
C04742
5298
-
beta-citrylglutamate
Beta-Citryl-glutamic acid
ME293535
72715786
C20775
530
-
laurate (12:0)
Lauric acid
ME293707
3893
C02679
5300
-
12-HETE
12-HETE
ME293618
5312983
-
5326
-
hexadecatrienoate (16:3n3)
7,10,13-Hexadecatrienoic acid
ME293729
5312428
-
5330
-
3-hydroxymyristate
3-Hydroxytetradecanoic acid
ME293667
16064
-
5335
-
myristoleate (14:1n5)
Myristoleic acid
ME293682
5281119
C08322
5346.9
-
heptadecatrienoate (17:3)
Heptadecatrienoic acid
ME293679
16061034
C16344
5390
-
stearidonate (18:4n3)
Stearidonic acid
ME293734
5312508
C16300
5395
-
hexadecadienoate (16:2n6)
7Z,10Z-Hexadecadienoic acid
ME293728
-
-
5398
-
myristate (14:0)
Myristic acid
ME293681
11005
C06424
5440
-
eicosapentaenoate (EPA; 20:5n3)
EPA
ME293726
446284
C06428
5450
-
linolenate [alpha or gamma; (18:3n3 or 6)]
Octadecatrienoic acid
ME293731
5280934
C06426
5450
-
palmitoleate (16:1n7)
Palmitoleic acid
ME293686
445638
C08362
5475
-
3-hydroxypalmitate
3-Hydroxyhexadecanoic acid
ME293669
301590
-
5476
-
1-arachidonoyl-GPI (20:4)
LPI 20:4/0:0
ME293689
-
-
5482
-
1-linoleoyl-GPI (18:2)
LPI 18:2/0:0
ME293691
-
-
5494
-
13-methylmyristate (i15:0)
Isopentadecylic acid
ME293636
151014
-
5499
-
1-linoleoyl-GPS (18:2)
LPS 18:2
ME293692
-
-
5500
-
N-linoleoyltaurine
N-Linoleoyl taurine
ME293622
-
-
5505
-
2-hydroxypalmitate
2-Hydroxypalmitic acid
ME293662
92836
-
5511.2
-
heneicosapentaenoate (21:5n3)
6Z,9Z,12Z,15Z,18Z-Heneicosapentaenoic acid
ME293727
11998573
-
5514
-
1-linoleoyl-GPG (18:2)
LPG 18:2/0:0
ME293690
-
-
5516
-
pentadecanoate (15:0)
Pentadecylic acid
ME293687
13849
C16537
5521
-
docosahexaenoate (DHA; 22:6n3)
DHA
ME293721
445580
C06429
5525
-
arachidonate (20:4n6)
Arachidonic acid
ME293717
444899
C00219
5535
-
linoleate (18:2n6)
Linoleic acid
ME293730
5280450
C01595
5535
-
10-heptadecenoate (17:1n7)
10Z-Heptadecenoic acid
ME293674
5312435
-
5555
-
N-palmitoyltaurine
N-Palmitoyl taurine
ME293624
-
-
5560
-
1-palmitoyl-GPI (16:0)
LPI 16:0/0:0
ME293696
-
-
5564
-
1-palmitoyl-GPG (16:0)
LPG 16:0/0:0
ME293695
3300276
-
5570
-
docosapentaenoate (n3 DPA; 22:5n3)
DPA
ME293722
6441454
C16513
5571
-
dihomo-linolenate (20:3n3 or n6)
Dihomo-gamma-linolenic acid
ME293719
5280581
C03242
5596
-
1-oleoyl-GPI (18:1)
LPI 18:1/0:0
ME293694
-
-
5599
-
1-oleoyl-GPG (18:1)
LPG 18:1/0:0
ME293693
-
-
5610
-
N-oleoyltaurine
N-Oleoyl taurine
ME293623
6437033
-
5610
-
palmitate (16:0)
Palmitic acid
ME293685
985
C00249
5618
-
docosapentaenoate (n6 DPA; 22:5n6)
Docosapentaenoic acid (22n-6)
ME293723
6441454
C16513
5624.5
-
mead acid (20:3n9)
ETrE(5Z,8Z,11Z)
ME293732
5312531
-
5650
-
oleate/vaccenate (18:1)
Oleic acid
ME293684
-
-
5655
-
nisinate (24:6n3)
THA
ME293733
11792612
-
5657
-
3-hydroxystearate
3-Hydroxystearic acid
ME293671
5282907
-
5674
-
adrenate (22:4n6)
Adrenic acid
ME293716
5497181
C16527
5678
-
15-methylpalmitate (i17:0)
15-Methylpalmitic acid
ME293637
17903417
-
5695
-
2-hydroxystearate
2-Hydroxystearic acid
ME293663
69417
C03045
5695
-
2-palmitoleoyl-GPC (16:1)
LPC 0:0/16:1
ME293699
-
-
5720
-
dihomo-linoleate (20:2n6)
11Z,14Z-Eicosadienoic acid
ME293718
6439848
C16525
5730
-
margarate (17:0)
Margaric acid
ME293680
10465
-
5731
-
2-methylcitrate/homocitrate
Homocitric acid
ME293611
-
-
575
-
10-nonadecenoate (19:1n9)
Nonadeca-10Z-enoic acid
ME293675
5312513
-
5780
-
N-stearoyltaurine
N-Stearoyl taurine
ME293625
168274
-
5782
-
1-stearoyl-GPI (18:0)
LPI 18:0/0:0
ME293698
-
-
5794
-
aconitate [cis or trans]
cis-Aconitic acid
ME293612
-
-
580
-
1-stearoyl-GPG (18:0)
LPG 18:0/0:0
ME293697
-
-
5816
-
citrate
Citric acid
ME293613
311
C00158
582
-
docosatrienoate (22:3n3)
13,16,19-Docosatrienoic acid
ME293724
5312556
C16534
5823
-
3-phosphoglycerate
3-Phosphoglyceric acid
ME293601
724
C00597
583
-
docosatrienoate (22:3n6)
10Z,13Z,16Z-Docosatrienoic acid
ME293725
-
-
5850
-
stearate (18:0)
Stearic acid
ME293688
5281
C01530
5872
-
phosphoenolpyruvate (PEP)
Phosphoenolpyruvic acid
ME293602
1005
C00074
587.3
-
eicosenoate (20:1)
cis-Gondoic acid
ME293677
5282768
C16526
5950
-
17-methylstearate (i19:0)
Xi-17-Methyloctadecanoic acid
ME293638
3083779
-
5993
-
sedoheptulose-7-phosphate
Sedoheptulose 7-phosphate
ME293603
616
C05382
599.6
-
creatine phosphate
Phosphocreatine
ME293534
587
C02305
603
-
oxalate (ethanedioate)
Oxalic acid
ME293604
971
C00209
603
-
docosadienoate (22:2n6)
13Z,16Z-Docosadienoic acid
ME293720
5282807
C16533
6034
-
nonadecanoate (19:0)
Nonadecylic acid
ME293683
12591
C16535
6068
-
1-palmitoleoylglycerol (16:1)
MG 16:1
ME293713
-
-
6094
-
tartronate (hydroxymalonate)
Hydroxypropanedioic acid
ME293775
45
C02287
610
-
linoleoyl ethanolamide
Linoleoyl-EA
ME293621
5283446
-
6150
-
malate
Malic acid
ME293614
525
C00149
615.6
-
sulfate
Sulfate
ME293809
1118
C00059
616
-
1-linolenoylglycerol (18:3)
MG 18:3
ME293710
53480978
-
6214
-
2-palmitoyl-GPC (16:0)
LPC 0:0/16:0
ME293700
15061532
-
6215
-
arachidate (20:0)
Arachidic acid
ME293676
10467
C06425
6240
-
1-arachidonylglycerol (20:4)
MG 20:4
ME293708
5282281
C13857
6250
-
2-linoleoylglycerol (18:2)
MG 18:2
ME293714
5365676
-
6250
-
2-stearoyl-GPE (18:0)
LPE 0:0/18:0
ME293701
-
-
6350
-
erucate (22:1n9)
cis-Erucic acid
ME293678
5281116
C08316
6355.6
-
2-aminoadipate
alpha-Aminoadipic acid
ME293560
469
C00956
639.2
-
1-dihomo-linolenylglycerol (20:3)
MG 20:3/0:0/0:0
ME293709
-
-
6400
-
1-linoleoylglycerol (18:2)
MG 18:2
ME293711
5283469
-
6477
-
2-oleoylglycerol (18:1)
MG 0:0/18:1(9Z)/0:0
ME293715
5319879
-
6500
-
1-oleoylglycerol (18:1)
MG 18:1/0:0/0:0
ME293712
5283468
-
6650
-
1-dihomo-linoleoylglycerol (20:2)
MG 20:2
ME293656
-
-
6800
-
5-oxoproline
Pyroglutamic acid
ME293536
7405
C01879
738.5
-
imidazole lactate
Imidazolelactic acid
ME293543
440129
C05568
739.4
-
histidine
Histidine
ME293542
6274
C00135
755.9
-
urate
Uric acid
ME293754
1175
C00366
757.1
-
glycerol
Glycerol
ME293673
753
C00116
758
-
N-acetyl-beta-alanine
N-Acetyl-beta-alanine
ME293767
76406
C01073
773
-
ethyl glucuronide
Ethyl glucuronide
ME293805
152226
-
793
-
N-acetyltaurine
N-Acetyltaurine
ME293565
159864
-
800
-
1,5-anhydroglucitol (1,5-AG)
1,5-Anhydrosorbitol
ME293600
64960
C07326
802
-
suberate (C8-DC)
Suberic acid
ME293651
10457
C08278
804.3
-
4-hydroxybenzoate
4-Hydroxybenzoic acid
ME293785
135
C00156
820
-
N-acetylthreonine
N-Acetylthreonine
ME293539
152204
-
821.6
-
N-delta-acetylornithine
N(5)-Acetyl-ornithine
ME293598
9920500
-
858
-
4-hydroxyphenylacetate sulfate
-
ME293586
-
-
867
-
S-methylcysteine
Methylcysteine
ME293568
24417
-
880
-
3-hydroxybutyroylglycine
-
ME293629
-
-
889
-
N-acetylhistidine
N-Acetylhistidine
ME293545
75619
C02997
900
-
3-methylhistidine
3-Methylhistidine
ME293541
64969
C01152
906.3
-
xanthine
Xanthine
ME293755
1188
C00385
910
-
ophthalmate
Ophthalmic acid
ME293537
7018721
-
919
-
dihydrocaffeate sulfate (2)
Dihydrocaffeic acid 3-sulfate
ME293822
-
-
930
-
N6-succinyladenosine
Succinyladenosine
ME293759
165243
-
940
-
N-acetylcitrulline
N-Acetylcitrulline
ME293597
656979
C15532
940
-
N-acetylmethionine sulfoxide
N-Acetylmethionine sulfoxide
ME293564
193368
-
942
-
propionylglycine
Propionylglycine
ME293627
98681
-
960
-
6-oxopiperidine-2-carboxylate
6-oxopiperidine-2-carboxylic acid
ME293561
3014237
-
965
-
3-hydroxy-2-ethylpropionate
2-Ethyl-hydracrylic acid
ME293548
188979
-
975
-
O-sulfo-L-tyrosine
Sulfotyrosine
ME293807
514186
-
990
-
Analysis: HILIC NEGATIVE ION MODE
Select
Metabolite Name
RefMet Name/Standardized Name*
WorkBenchMetabolite_ID
PubChemCompound_ID
Kegg Id
Retentiontime/index
m/z ratio
2,3-dihydroxyisovalerate
2,3-Dihydroxyisovaleric acid
ME293919
677
C04039
1050
-
pyruvate
Pyruvic acid
ME293870
1060
C00022
1083
-
2-hydroxybutyrate/2-hydroxyisobutyrate
2-Hydroxybutyric acid/2-Hydroxyisobutyric acid
ME293843
-
-
1258
-
caffeic acid sulfate
-
ME293924
-
-
1307
-
3-hydroxybutyrate (BHBA)
3-Hydroxybutyric acid
ME293902
441
C01089
1444
-
lactate
Lactic acid
ME293869
612
C00186
1468.8
-
erythritol
Erythritol
ME293920
222285
C00503
1491
-
ribose
Ribose
ME293875
5779
C00121
1508.2
-
N-acetylalanine
N-Acetylalanine
ME293837
88064
C02847
1564.8
-
3-hydroxyisobutyrate
3-Hydroxyisobutyric acid
ME293846
87
C06001
1619
-
orotate
Orotic acid
ME293913
967
C00295
1638.1
-
allantoin
Allantoin
ME293910
204
C02350
1672
-
xylose
Xylose
ME293878
135191
C00181
1727
-
N-acetylglycine
N-Acetylglycine
ME293844
10972
-
1780
-
ribitol
Ribitol
ME293873
6912
C00474
1789.6
-
glycolate (hydroxyacetate)
Glycolic acid
ME293916
757
C00160
1790.4
-
sphingosine 1-phosphate
Sphingosine 1-phosphate
ME293908
5283560
C06124
1850
-
dihydroorotate
4,5-Dihydroorotic acid
ME293911
648
C00337
1910
-
alpha-ketoglutaramate
2-Keto-glutaramic acid
ME293840
-
-
1916
-
arabitol/xylitol
Arabitol
ME293871
6912
C01904
1932.4
-
N-acetylserine
N-Acetylserine
ME293845
65249
-
2000
-
fructose
Fructose
ME293864
5984
C00095
2065
-
glycerate
Glyceric acid
ME293868
752
C00258
2070.4
-
N-acetylglutamine
N-Acetylglutamine
ME293842
182230
C02716
2140
-
erythronate
Erythronic acid
ME293860
2781043
-
2186
-
mannose
Mannose
ME293866
18950
C00159
2200
-
orotidine
Orotidine
ME293914
92751
-
2250
-
sedoheptulose
Glucoheptulose
ME293877
5459879
-
2255
-
cysteine s-sulfate
Cysteine-S-sulfate
ME293854
115015
C05824
2273
-
mannitol/sorbitol
Sorbitol
ME293865
5780
C00794
2320
-
glucose
Glucose
ME293867
79025
C00031
2342
-
ribulonate/xylulonate
-
ME293876
-
-
2350
-
threonate
Threonic acid
ME293882
151152
C01620
2384
-
ribonate
Ribonic acid
ME293874
5460677
C01685
2425
-
glycerophosphoglycerol
sn-Glycero-3-phosphoglycerol
ME293900
439964
C03274
2430
-
quinate
Quinic acid
ME293923
6508
C00296
2432.9
-
N6-acetyllysine
N6-Acetyllysine
ME293853
92832
C02727
2612.6
-
2-oxoadipate
Oxoadipic acid
ME293851
71
C00322
2633.1
-
maleate
Maleic acid
ME293898
444266
C01384
2640
-
3-methylglutaconate
3E-Methylglutaconic acid
ME293848
1551553
-
2700
-
alpha-ketoglutarate
2-Oxoglutaric acid
ME293885
51
C00026
2700
-
arabonate/xylonate
Arabinonic acid/Xylonic acid
ME293872
-
-
2700
-
pimelate (C7-DC)
Pimelic acid
ME293899
385
C02656
2745
-
gulonate
Gulonic acid
ME293881
9794176
C00257
2750
-
hypotaurine
Hypotaurine
ME293856
107812
C00519
2763.4
-
alanine
Alanine
ME293836
5950
C00041
2780.3
-
ethylmalonate
Ethylmalonic acid
ME293849
11756
-
2785
-
methylsuccinate
Methylsuccinic acid
ME293850
10349
-
2800
-
heptenedioate (C7:1-DC)
-
ME293897
-
-
2816
-
3-methylglutarate/2-methylglutarate
Methylglutaric acid
ME293894
-
-
2832
-
3-hydroxy-3-methylglutarate
3-Hydroxymethylglutaric acid
ME293903
1662
C03761
2850
-
guanidinoacetate
Guanidoacetic acid
ME293839
763
C00581
2884
-
glutarate (C5-DC)
Glutaric acid
ME293896
743
C00489
2900
-
gluconate
Gluconic acid
ME293921
10690
C00257
2922
-
allantoic acid
Allantoic acid
ME293909
203
C00499
2960
-
itaconate
Itaconic acid
ME293888
811
C00490
2969
-
isocitric lactone
Isocitric acid lactone
ME293887
98259
-
2970
-
adipate (C6-DC)
Adipic acid
ME293895
196
C06104
3000
-
quinolinate
Quinolinic acid
ME293883
1066
C03722
3000
-
N-acetylneuraminate
N-Acetylneuraminic acid
ME293862
439197
C00270
3072.6
-
methylmalonate (MMA)
Methylmalonic acid
ME293891
487
C02170
3078.4
-
fumarate
Fumaric acid
ME293886
444972
C00122
3084
-
sucrose
Sucrose
ME293863
5988
C00089
3092
-
N-acetylglutamate
N-Acetylglutamic acid
ME293841
70914
C00624
3106
-
3-hydroxyadipate
3-Hydroxy-adipic acid
ME293893
151913
-
3131
-
N-acetylaspartate (NAA)
N-Acetylaspartic acid
ME293838
65065
C01042
3143
-
succinate
Succinic acid
ME293889
1110
C00042
3149
-
glucuronate
Glucuronic acid
ME293861
444791
C00191
3233.3
-
N-glycolylneuraminate
N-Glycoloylneuraminic acid
ME293922
123802
C03410
3327.5
-
N2-acetyllysine
N(2)-Acetyllysine
ME293852
92907
C12989
3372.6
-
cystine
Cystine
ME293855
67678
C00491
3424
-
malonate
Malonic acid
ME293892
867
C00383
3447
-
gamma-glutamylthreonine
gamma-Glutamylthreonine
ME293915
76078708
-
3476
-
myo-inositol
Myo-inositol
ME293901
892
C00137
3506.3
-
N-carbamoylaspartate
N-Carbamoylaspartic acid
ME293912
93072
C00438
3800
-
glycerophosphoinositol
sn-Glycero-3-phosphoinositol
ME293907
167572
-
3850
-
ribulose/xylulose 5-phosphate
Ribulose 5-phosphate
ME293880
-
C00199
3888
-
acetylphosphate
Acetylphosphate
ME293884
186
C00227
4013.9
-
ribose 1-phosphate
Ribose 1-phosphate
ME293879
439236
C00620
4025
-
tricarballylate
1,2,3-Propanetricarboxylic acid
ME293890
14925
C19806
4200
-
perfluorooctanesulfonic acid (PFOS)
Perfluorooctanesulfonic acid
ME293917
74483
C18142
662
-
1-stearoyl-2-oleoyl-GPG (18:0/18:1)
PG 18:0/18:1
ME293905
-
-
717
-
1-stearoyl-2-docosahexaenoyl-GPE (18:0/22:6)
PE 18:0/22:6
ME293904
9546798
-
752
-
salicylate
Salicylic acid
ME293918
338
C00805
802
-
2-hydroxyphenylacetate
2-Hydroxyphenylacetic acid
ME293858
11970
C05852
858.6
-
1-palmitoyl-2-oleoyl-GPI (16:0/18:1)
PI 16:0/18:1
ME293906
-
-
893
-
N-formylanthranilic acid
Formylanthranilic acid
ME293857
101399
C05653
900
-
gentisate
Gentisic acid
ME293859
3469
C00628
905
-
3-methyl-2-oxobutyrate
Ketoisovaleric acid
ME293847
49
C00141
911
-
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