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Return to study ST002820 main page
Analysis: Reversed phase POSITIVE ION MODE (
View original submitter results
)
Select
Metabolite Name
RefMet Name/Standardized Name*
WorkBenchMetabolite_ID
PubChemCompound_ID
Kegg Id
Retentiontime/index
m/z ratio
1-methylguanidine
Methylguanidine
ME730750
10111
C02294
2149
-
1-methylhistidine
1-Methylhistidine
ME730751
92105
C01152
2755
-
1-methylimidazoleacetate
Methylimidazoleacetic acid
ME730752
75810
C05828
2064
-
1-methylnicotinamide
1-Methyl nicotinamide
ME730753
10129985
C02918
1940
-
1-methylurate
1-Methyluric acid
ME730754
69726
C16359
1461
-
2-aminobutyrate
2-Aminobutyric acid
ME730755
439691
C02261
2059
-
2-aminoheptanoate
2-Aminoheptanoic acid
ME730756
227939
-
3160
-
2-hydroxyglutarate
2-Hydroxyglutaric acid
ME730757
43
C02630
958
-
2-methylbutyrylcarnitine (C5)
CAR 4:0;2Me
ME730758
6426901
-
3035
-
2-methylmalonylcarnitine (C4-DC)
CAR DC3:0;2Me
ME730759
53481628
-
2440
-
2'-O-methylcytidine
2'-O-Methylcytidine
ME730760
150971
-
2411
-
2-oxoarginine*
2-Oxoarginine
ME730761
558
C03771
1760
-
2-piperidinone
2-Piperidinone
ME730762
12665
-
1675
-
2-pyrrolidinone
2-Pyrrolidinone
ME730763
12025
-
1262
-
3-aminoisobutyrate
3-Aminoisobutanoic acid
ME730765
64956
C05145
2190
-
3-(cystein-S-yl)acetaminophen*
3-(Cystein-S-yl)acetaminophen
ME730764
5233914
-
2420
-
3-hydroxybutyrylcarnitine (1)
CAR 4:0;3OH
ME730766
53481617
-
2400
-
3-hydroxybutyrylcarnitine (2)
CAR 4:0;3OH
ME730767
-
-
2340
-
3-hydroxyquinine
3-Hydroxyquinine
ME730768
441264
C07344
3271
-
3-methoxytyrosine
3-Methoxytyrosine
ME730769
1670
-
2555
-
3-methylglutarylcarnitine (2)
CAR DC5:0;3Me
ME730770
128145
-
2675
-
3-ureidopropionate
Ureidopropionic acid
ME730771
111
C02642
875
-
4-acetamidobutanoate
4-Acetamidobutanoic acid
ME730772
18189
C02946
1350
-
4-guanidinobutanoate
4-Guanidinobutanoic acid
ME730773
500
C01035
2320
-
4-hydroxyphenylacetatoylcarnitine
-
ME730774
-
-
2730
-
4-imidazoleacetate
Imidazoleacetic acid
ME730775
96215
C02835
2055
-
5,6-dihydrothymine
Dihydrothymine
ME730777
93556
C00906
1280
-
5-(galactosylhydroxy)-L-lysine
5-(Galactosylhydroxy)-lysine
ME730776
-
-
2755
-
5-methylthioadenosine (MTA)
5'-Methylthioadenosine
ME730778
439176
C00170
2752
-
7-methylguanine
7-Methylguanine
ME730779
11361
C02242
2175
-
7-methylurate_2
7-Methyluric acid
ME730780
69160
C16355
1321
-
7-methylxanthine
7-Methylxanthine
ME730781
68374
C16353
1350
-
acetylcarnitine (C2)
CAR 2:0
ME730782
1
C02571
2282
-
acisoga
Acisoga
ME730783
129397
-
1813
-
adenine
Adenine
ME730784
190
C00147
2221
-
adenosine 5'-monophosphate (AMP)
AMP
ME730789
6083
C00020
1013
-
adipoylcarnitine (C6-DC)
CAR DC6:0
ME730785
71296139
-
2558
-
alanine
Alanine
ME730786
5950
C00041
1700
-
alliin
Alliin
ME730787
87310
C08265
1470
-
alpha-hydroxymetoprolol
alpha-Hydroxymetoprolol
ME730788
114962
-
2900
-
anthranilate
2-Aminobenzoic acid
ME730790
227
C00108
2606
-
argininate*
Argininic acid
ME730791
160437
-
2150
-
arginine
Arginine
ME730792
232
C00062
2825
-
asparagine
Asparagine
ME730793
6267
C00152
1225
-
aspartate
Aspartic acid
ME730794
5960
C00049
1165
-
atenolol
Atenolol
ME730795
2249
D00235
2668
-
benzoylcarnitine*
Benzoylcarnitine
ME730796
-
-
3041
-
benzoylecgonine
Benzoyl ecgonine
ME730797
442997
C10847
3061
-
beta-alanine
beta-Alanine
ME730798
239
C00099
1905
-
betaine
Betaine
ME730799
247
C00719
1064
-
betonicine
Betonicine
ME730800
164642
C08269
1012
-
butyrylcarnitine (C4)
CAR 4:0
ME730801
439829
C02862
2860
-
caffeine
Caffeine
ME730802
2519
C07481
2106
-
carbamazepine 10,11-epoxide*
Carbamazepine epoxide
ME730803
2555
C07496
3020
-
carnitine
Carnitine
ME730804
10917
C00318
1978
-
cephalexin
Cephalexin
ME730805
-
D00263,C06895
3063
-
choline
Choline
ME730806
305
C00114
1961
-
choline phosphate
Choline phosphate
ME730914
1014
C00588
700
-
cis-urocanate
Urocanic acid
ME730807
1549103
-
2406
-
citrulline
Citrulline
ME730808
9750
C00327
1520
-
cotinine
Cotinine
ME730809
854019
-
2213
-
cotinine N-oxide
Cotinine N-oxide
ME730810
9815514
-
1377
-
creatine
Creatine
ME730811
586
C00300
1947
-
creatinine
Creatinine
ME730812
588
C00791
2055
-
cys-gly, oxidized
CYS-GLY, oxidized
ME730813
333293
-
2947
-
cystathionine
Cystathionine
ME730814
439258
C02291
2270
-
cysteine
Cysteine
ME730815
5862
C00097
1488
-
cysteine-glutathione disulfide
S-Glutathionyl-cysteine
ME730818
4247235
-
2465
-
cysteine s-sulfate
Cysteine-S-sulfate
ME730816
115015
C05824
565
-
cysteine sulfinic acid
3-Sulfino-alanine
ME730817
109
C00606
597
-
cysteinylglycine
Cys-Gly
ME730819
439498
C01419
2132
-
cystine
Cystine
ME730820
67678
C00491
2000
-
deoxycarnitine
3-Dehydroxycarnitine
ME730821
134
C01181
2052
-
diglycerol
Diglycerol
ME730822
42953
-
818
-
dimethylarginine (SDMA + ADMA)
Dimethylarginine
ME730824
123831
C03626
2850
-
dimethylglycine
Dimethylglycine
ME730825
673
C01026
1104
-
dimethyl sulfone
Dimethyl sulfone
ME730823
6213
C11142
832
-
ectoine
Ectoine
ME730826
126041
C06231
1980
-
ergothioneine
Ergothioneine
ME730827
3032311
C05570
850
-
gamma-glutamyl-2-aminobutyrate
gamma-Glutamyl-2-aminobutanoate
ME730828
-
-
2380
-
gamma-glutamylalanine
gamma-Glutamylalanine
ME730829
440103
-
1986
-
gamma-glutamyl-alpha-lysine
gamma-Glutamyllysine
ME730830
65254
-
2784
-
gamma-glutamyl-epsilon-lysine
Epsilon-(gamma-Glutamyl)-lysine
ME730831
7015685
-
2717
-
gamma-glutamylglutamate
gamma-Glutamylglutamic acid
ME730832
92865
C05282
1775
-
gamma-glutamylglutamine
gamma-Glutamylglutamine
ME730833
150914
C05283
1430
-
gamma-glutamylglycine
gamma-Glutamylglycine
ME730834
165527
-
1535
-
gamma-glutamylhistidine
gamma-Glutamylhistidine
ME730835
7017195
-
2740
-
gamma-glutamylisoleucine*
gamma-Glutamylisoleucine
ME730836
14253342
-
2940
-
gamma-glutamylleucine
gamma-Glutamylleucine
ME730837
151023
-
2991
-
gamma-glutamylmethionine
gamma-Glutamylmethionine
ME730838
7009567
-
2640
-
gamma-glutamylphenylalanine
gamma-Glutamylphenylalanine
ME730839
111299
-
2992
-
gamma-glutamylserine
gamma-Glu-Ser
ME730840
-
-
1351
-
gamma-glutamylthreonine
gamma-Glutamylthreonine
ME730841
76078708
-
1750
-
gamma-glutamyltryptophan
gamma-Glutamyltryptophan
ME730842
3989307
-
2975
-
gamma-glutamyltyrosine
gamma-Glutamyltyrosine
ME730843
94340
-
2518
-
gamma-glutamylvaline
gamma-Glutamylvaline
ME730844
7015683
-
2700
-
glutamate
Glutamic acid
ME730845
611
C00025
1500
-
glutamine
Glutamine
ME730846
5961
C00064
1291
-
glutarylcarnitine (C5-DC)
CAR DC5:0
ME730847
71464488
-
2393
-
glycerol 3-phosphate
sn-Glycero-3-phosphate
ME730848
754
C00093
580
-
glycerophosphoethanolamine
sn-Glycero-3-phosphoethanolamine
ME730849
123874
C01233
659
-
glycerophosphoinositol*
sn-Glycero-3-phosphoinositol
ME730850
167572
-
516
-
glycerophosphorylcholine (GPC)
sn-Glycero-3-phosphocholine
ME730851
71920
C00670
672
-
glycine
Glycine
ME730852
750
C00037
1375
-
glycylvaline
Gly-Val
ME730853
97417
-
2734
-
hexanoylcarnitine (C6)
CAR 6:0
ME730854
6426853
-
3308
-
homoarginine
Homoarginine
ME730855
9085
C01924
2882
-
homostachydrine*
(S)-Homostachydrine
ME730856
441447
C08283
1750
-
hydroxybupropion
Hydroxybupropion
ME730857
446
-
3479
-
hydroxycotinine
trans-3-Hydroxycotinine
ME730858
10219774
-
2030
-
hypotaurine
Hypotaurine
ME730860
107812
C00519
724
-
imidazole lactate
Imidazolelactic acid
ME730861
440129
C05568
2040
-
imidazole propionate
Imidazole propanoate
ME730862
70630
-
2263
-
indolin-2-one
Indolin-2-one
ME730863
321710
C12312
2575
-
isobutyrylcarnitine (C4)
CAR 3:0;2Me
ME730864
168379
-
2810
-
isoleucine
Isoleucine
ME730865
6306
C00407
2800
-
isovalerylcarnitine (C5)
CAR 4:0;3Me
ME730866
6426851
-
3085
-
kynurenine
Kynurenine
ME730867
161166
C00328
2739
-
lanthionine
Lanthionine
ME730868
98504
-
1730
-
leucine
Leucine
ME730869
6106
C00123
2864
-
leucylalanine
Leu-Ala
ME730870
259321
-
2801
-
leucylglutamine*
Leu-Gln
ME730871
4305457
-
2620
-
leucylglycine
Leu-Gly
ME730872
79070
-
2778
-
linamarin
Linamarin
ME730873
11128
C01594
1440
-
lysine
Lysine
ME730874
5962
C00047
2850
-
meprobamate
Meprobamate
ME730875
4064
D00376
2994
-
methionine
Methionine
ME730876
6137
C00073
2526
-
methionine sulfone
Methionine sulfone
ME730877
69961
-
1250
-
methionine sulfoxide
Methionine sulfoxide
ME730878
158980
C02989
1272
-
methyl indole-3-acetate
Indole-3-methyl acetate
ME730879
74706
-
3380
-
methylsuccinoylcarnitine (1)
-
ME730880
-
-
2589
-
metoclopramide
Metoclopramide
ME730881
4168
C07868,D00726
3091
-
metoprolol
Metoprolol
ME730882
4171
D02358
3312
-
metoprolol acid metabolite*
-
ME730883
62936
-
2950
-
metronidazole
Metronidazole
ME730884
4173
D00409
2046
-
N1-methyladenosine
1-Methyladenosine
ME730749
27476
C02494
2120
-
N1-methylinosine
1-Methylinosine
ME730885
65095
-
1430
-
(N(1) + N(8))-acetylspermidine
Asparagine
ME730748
-
-
3080
-
N2,N2-dimethylguanosine
N2,N2-Dimethylguanosine
ME730886
92919
-
2210
-
N4-acetylcytidine
N4-Acetylcytidine
ME730887
107461
-
1580
-
N6-carboxymethyllysine
N(6)-Carboxymethyl-lysine
ME730889
123800
-
2500
-
N6-methyladenosine
N6-Methyladenosine
ME730890
1869
-
2264
-
N6,N6,N6-trimethyllysine
N-6-Trimethyllysine
ME730888
440120
C03793
2825
-
N-acetyl-1-methylhistidine*
N-Acetyl-3-methylhistidine
ME730891
193270
-
2100
-
N-acetyl-3-methylhistidine*
N-Acetyl-3-methylhistidine
ME730892
193270
-
2056
-
N-acetylarginine
N-Acetylarginine
ME730893
67427
C02562
2245
-
N-acetylasparagine
N-Acetylasparagine
ME730894
99715
-
785
-
N-acetyl-aspartyl-glutamate (NAAG)
N-Acetyl-Asp-Glu
ME730895
5255
C12270
1035
-
N-acetyl-cadaverine
N-Acetylcadaverine
ME730896
189087
-
2385
-
N-acetylglucosamine/N-acetylgalactosamine
N-Acetylhexosamine
ME730897
24139
-
715
-
N-acetylglycine
N-Acetylglycine
ME730898
10972
-
826
-
N-acetylhistamine
N-Acetylhistamine
ME730899
69602
C05135
2287
-
N-acetylmethionine sulfoxide
N-Acetylmethionine sulfoxide
ME730900
193368
-
880
-
N-acetylneuraminate
N-Acetylneuraminic acid
ME730901
439197
C00270
660
-
N-acetylputrescine
N-Acetylputrescine
ME730902
122356
C02714
2230
-
nicotinamide
Niacinamide
ME730903
936
C00153
1942
-
N-methylpipecolate
N-methyl pipecolic acid
ME730904
11286529
-
1932
-
N-methylproline
N-Methyl-proline
ME730905
557
-
1335
-
norbenzoylecgonine*
Benzoylnorecgonine
ME730906
74765378
-
3176
-
N-trimethyl 5-aminovalerate
-
ME730907
-
-
2186
-
O-desmethyltramadol glucuronide
O-Desmethyltramadol glucuronide
ME730908
-
-
2741
-
ornithine
Ornithine
ME730909
6262
C00077
2800
-
phenylacetylcarnitine
-
ME730910
101724840
-
3092
-
phenylalanine
Phenylalanine
ME730911
6140
C00079
2878
-
phenylpropanolamine
Phenylpropanolamine
ME730912
26934
C07911
3034
-
phosphate
Phosphoric acid
ME730913
1061
C00009
576
-
picolinate
Picolinic acid
ME730915
1018
C10164
910
-
pimeloylcarnitine/3-methyladipoylcarnitine (C7-DC)
CAR DC7:0
ME730916
-
-
2773
-
pipecolate
Pipecolic acid
ME730917
849
C00408
2200
-
pivaloylcarnitine (C5)
CAR 3:0;Me2
ME730918
126894
-
3005
-
pro-hydroxy-pro
Pro-hydroxyPro
ME730921
11673055
-
2128
-
proline
Proline
ME730919
145742
C00148
1603
-
prolylglycine
Pro-Gly
ME730920
6426709
-
2136
-
propionylcarnitine (C3)
CAR 3:0
ME730922
107738
C03017
2590
-
pseudoephedrine
Pseudoephedrine
ME730923
7028
C02765
3041
-
pyroglutamine*
Pyroglutamine
ME730924
134508
-
1900
-
quinine
Quinine
ME730925
2728270
-
3378
-
quinolinate
Quinolinic acid
ME730926
1066
C03722
845
-
ranitidine
Ranitidine
ME730927
3001055
D00422
2910
-
S-1-pyrroline-5-carboxylate
1-Pyrroline-5-carboxylic acid
ME730928
1196
C04322
1528
-
S-allylcysteine
S-Allylcysteine
ME730929
98280
-
2690
-
sarcosine
Sarcosine
ME730930
1088
C00213
1280
-
serine
Serine
ME730931
5951
C00065
1239
-
serotonin
Serotonin
ME730932
5202
C00780
2550
-
S-methylcysteine sulfoxide
2-amino-3-methanesulfinylpropanoic acid
ME730933
82142
-
900
-
S-methylmethionine
S-Methylmethionine
ME730934
458
C05319
2555
-
spermidine
Spermidine
ME730935
1102
C00315
3355
-
stachydrine
Stachydrine
ME730936
115244
C10172
1440
-
suberoylcarnitine (C8-DC)
CAR DC8:0
ME730937
-
-
2964
-
succinylcarnitine (C4-DC)
CAR DC4:0
ME730938
71464481
-
2291
-
sulfamethoxazole
Sulfamethoxazole
ME730939
5329
D00285,C07315,D00447
2405
-
taurine
Taurine
ME730940
1123
C00245
660
-
theanine
N(5)-Ethyl-glutamine
ME730941
439378
C01047
2180
-
theobromine
Theobromine
ME730942
5429
C07480
1600
-
thioproline
Thioproline
ME730943
93176
-
1250
-
threonine
Threonine
ME730944
6288
C00188
1514
-
ticlopidine
Ticlopidine
ME730945
5472
C07140
3317
-
tiglylcarnitine (C5:1-DC)
CAR DC5:1
ME730946
22833596
-
2962
-
tramadol
Tramadol
ME730947
33741
C07153
3288
-
trans-4-hydroxyproline
trans-4-Hydroxyproline
ME730859
5810
C01157
1064
-
trazadone
Trazodone
ME730948
5533
C07156,D08626
3498
-
triamterene
Triamterene
ME730949
5546
D00386
3164
-
trigonelline (N'-methylnicotinate)
Trigonelline
ME730950
5570
C01004
1388
-
trimethylamine N-oxide
Trimethylamine N-oxide
ME730951
1145
C01104
2100
-
tryptophan
Tryptophan
ME730952
6305
C00078
2986
-
tryptophan betaine
Lenticin
ME730953
442106
C09213
2673
-
tyrosine
Tyrosine
ME730954
6057
C00082
2430
-
urea
Urea
ME730955
1176
C00086
700
-
valine
Valine
ME730956
6287
C00183
2479
-
valylglutamine
Val-Gln
ME730957
5253209
-
2295
-
valylleucine
Val-Leu
ME730958
352039
-
3138
-
Analysis: Reversed phase POSITIVE ION MODE (
View original submitter results
)
Select
Metabolite Name
RefMet Name/Standardized Name*
WorkBenchMetabolite_ID
PubChemCompound_ID
Kegg Id
Retentiontime/index
m/z ratio
1-(1-enyl-oleoyl)-GPE (P-18:1)*
LPE P-18:1 or LPE O-18:2
ME730959
-
-
1566
-
1-(1-enyl-palmitoyl)-2-arachidonoyl-GPC (P-16:0/20...
PC P-16:0/20:4 or PC O-16:1/20:4
ME730960
-
-
2154
-
1-(1-enyl-palmitoyl)-2-arachidonoyl-GPE (P-16:0/20...
PE P-16:0/20:4 or PE O-16:1/20:4
ME730961
-
-
2270
-
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
ME730962
-
-
2226
-
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
ME730963
-
-
2351
-
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
ME730964
-
-
2443
-
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
ME730965
-
-
2600
-
1-(1-enyl-palmitoyl)-2-palmitoleoyl-GPC (P-16:0/16...
PC P-16:0/16:1 or PC O-16:1/16:1
ME730966
-
-
2218
-
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
ME730967
11146967
-
2454
-
1-(1-enyl-palmitoyl)-GPC (P-16:0)*
LPC P-16:0 or LPC O-16:1
ME730968
10917802
-
1547
-
1-(1-enyl-palmitoyl)-GPE (P-16:0)*
LPE P-16:0 or LPE O-16:1
ME730969
-
-
1558
-
1-(1-enyl-stearoyl)-2-arachidonoyl-GPE (P-18:0/20:...
PE P-18:0/20:4 or PE O-18:1/20:4
ME730970
9547058
-
2511
-
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
ME730971
-
-
2633
-
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
ME730972
-
-
2950
-
1-(1-enyl-stearoyl)-GPE (P-18:0)*
LPE P-18:0 or LPE O-18:1
ME730973
-
-
1649
-
1,2-dilinoleoyl-GPC (18:2/18:2)
PC 18:2/18:2
ME730974
5288075
-
2006
-
1,2-dipalmitoyl-GPC (16:0/16:0)
PC 16:0/16:0
ME730975
452110
D03585
2365
-
1,2-dipalmitoyl-GPE (16:0/16:0)*
PE 16:0/16:0
ME730976
445468
-
2498
-
1-arachidonoyl-GPC (20:4n6)*
LPC 20:4/0:0
ME730977
-
C05208
1460
-
1-arachidonoyl-GPE (20:4n6)*
LPE 20:4/0:0
ME730978
42607465
-
1470
-
1-lignoceroyl-GPC (24:0)
LPC 24:0/0:0
ME730979
-
-
1907
-
1-linolenoyl-GPC (18:3)*
LPC 18:3
ME730980
-
-
1422
-
1-linoleoyl-2-arachidonoyl-GPC (18:2/20:4n6)*
PC 18:2/20:4
ME730981
-
-
1969
-
1-linoleoyl-2-linolenoyl-GPC (18:2/18:3)*
PC 18:2/18:3
ME730982
-
-
1939
-
1-linoleoyl-GPC (18:2)
LPC 18:2/0:0
ME730983
11988421
C04100
1465
-
1-linoleoyl-GPE (18:2)*
LPE 18:2/0:0
ME730984
52925130
-
1482
-
1-oleoyl-GPC (18:1)
LPC 18:1/0:0
ME730985
16081932
-
1540
-
1-oleoyl-GPE (18:1)
LPE 18:1/0:0
ME730986
9547071
-
1554
-
1-palmitoleoyl-2-linolenoyl-GPC (16:1/18:3)*
PC 16:1_18:3
ME730987
-
-
1850
-
1-palmitoleoyl-GPC (16:1)*
LPC 16:1/0:0
ME730988
24779461
-
1450
-
1-palmitoyl-2-arachidonoyl-GPC (16:0/20:4n6)
PC 16:0/20:4
ME730989
10747814
-
2091
-
1-palmitoyl-2-arachidonoyl-GPE (16:0/20:4)*
PE 16:0/20:4
ME730990
9546800
-
2198
-
1-palmitoyl-2-linoleoyl-GPC (16:0/18:2)
PC 16:0/18:2
ME730991
5287971
-
2160
-
1-palmitoyl-2-linoleoyl-GPE (16:0/18:2)
PE 16:0/18:2
ME730992
9546747
-
2275
-
1-palmitoyl-2-oleoyl-GPC (16:0/18:1)
PC 16:0/18:1
ME730993
6436017
-
2358
-
1-palmitoyl-2-oleoyl-GPE (16:0/18:1)
PE 16:0/18:1
ME730994
5283496
-
2509
-
1-palmitoyl-2-palmitoleoyl-GPC (16:0/16:1)*
PC 16:0/16:1
ME730995
-
-
2160
-
1-palmitoyl-2-stearoyl-GPC (16:0/18:0)
PC 16:0/18:0
ME730996
-
-
2653
-
1-palmitoyl-GPC (16:0)
LPC 16:0/0:0
ME730997
86554
-
1525
-
1-palmitoyl-GPE (16:0)
LPE 16:0/0:0
ME730998
9547069
-
1544
-
1-stearoyl-2-arachidonoyl-GPC (18:0/20:4)
PC 18:0/20:4
ME730999
16219824
-
2300
-
1-stearoyl-2-arachidonoyl-GPE (18:0/20:4)
PE 18:0/20:4
ME731000
5289133
-
2424
-
1-stearoyl-2-linoleoyl-GPC (18:0/18:2)*
PC 18:0/18:2
ME731001
-
-
2380
-
1-stearoyl-2-linoleoyl-GPE (18:0/18:2)*
PE 18:0/18:2
ME731002
9546749
-
2522
-
1-stearoyl-2-oleoyl-GPC (18:0/18:1)
PC 18:0/18:1
ME731003
-
-
2644
-
1-stearoyl-2-oleoyl-GPE (18:0/18:1)
PE 18:0/18:1
ME731004
-
-
2858
-
1-stearoyl-GPC (18:0)
LPC 18:0/0:0
ME731005
497299
-
1606
-
1-stearoyl-GPE (18:0)
LPE 18:0/0:0
ME731006
9547068
-
1626
-
2-aminooctanoate
2-Aminocaprylic acid
ME731007
69522
-
750
-
alpha-tocopherol
alpha-Tocopherol
ME731008
14985
C02477
2522
-
arachidonoylcarnitine (C20:4)
CAR 20:4
ME731009
-
-
1353
-
arachidonoylcholine
Arachidonoylcholine
ME731010
-
-
1390
-
arachidoylcarnitine (C20)*
CAR 20:0
ME731011
-
-
1512
-
azithromycin
Azithromycin
ME731012
2269
C06838
918
-
behenoylcarnitine (C22)*
CAR 22:0
ME731015
-
-
1561
-
behenoyl dihydrosphingomyelin (d18:0/22:0)*
SM 18:0;O2/22:0
ME731013
-
-
3150
-
behenoyl sphingomyelin (d18:1/22:0)*
SM 18:1;O2/22:0
ME731014
-
-
3083
-
beta-cryptoxanthin
Cryptoxanthin
ME731016
6384256
-
2560
-
bilirubin (E,E)*
Bilirubin
ME731018
5315454
-
1045
-
bilirubin (E,Z or Z,E)*
Bilirubin
ME731019
5799469
-
1265
-
bilirubin (Z,Z)
Bilirubin
ME731017
5280352
C00486
1840
-
biliverdin
Biliverdin
ME731020
5353439
C00500
1016
-
carbamazepine
Carbamazepine
ME731021
2554
D00252
880
-
carotene diol (1)
Carotene diol
ME731022
-
-
1720
-
carotene diol (2)
Carotene diol
ME731023
-
-
1904
-
carotene diol (3)
Carotene diol
ME731024
-
-
1948
-
cerotoylcarnitine (C26)*
CAR 26:0
ME731025
-
-
1649
-
cetirizine
Cetirizine
ME731026
2678
C07778
1052
-
cholesterol
Cholesterol
ME731027
11025495
C00187
2707
-
cis-4-decenoylcarnitine (C10:1)
CAR 10:1
ME731028
-
-
1057
-
decanoylcarnitine (C10)
CAR 10:0
ME731029
10245190
-
1130
-
dexlansoprazole
Dexlansoprazole
ME731030
9578005
D08903
827
-
dihomo-linolenoylcarnitine (20:3n3 or 6)*
CAR 20:3
ME731031
-
-
1392
-
dihomo-linolenoyl-choline
Dihomo-gamma-linolenoylcholine
ME731032
-
-
1424
-
dihomo-linoleoylcarnitine (C20:2)*
CAR 20:2
ME731033
-
-
1436
-
diltiazem
Diltiazem
ME731034
39186
C06958
888
-
diphenhydramine
Diphenhydramine
ME731035
3100
C06960
911
-
docosahexaenoylcholine
Docosahexaenoylcholine
ME731036
-
-
1378
-
D-urobilin
D-Urobilin
ME731037
6276321
C05795
935
-
eicosenoylcarnitine (C20:1)*
CAR 20:1
ME731038
-
-
1484
-
enalapril
Enalapril
ME731039
3222
-
900
-
fexofenadine
Fexofenadine
ME731040
3348
C06999
944
-
fluoxetine
Fluoxetine
ME731041
3386
D00326
1025
-
gamma-tocopherol/beta-tocopherol
beta-tocopherol
ME731042
-
-
2384
-
glycosyl ceramide (d18:1/20:0, d16:1/22:0)*
HexCer 38:1;O2
ME731043
-
-
3414
-
glycosyl ceramide (d18:2/24:1, d18:1/24:2)*
HexCer 42:3;O2
ME731044
-
-
3380
-
glycosyl-N-(2-hydroxynervonoyl)-sphingosine (d18:1...
-
ME731045
-
-
3839
-
glycosyl-N-palmitoyl-sphingosine (d18:1/16:0)
HexCer 18:1;O2/16:0
ME731046
-
-
2623
-
glycosyl-N-stearoyl-sphingosine (d18:1/18:0)
HexCer 18:1;O2/18:0
ME731047
-
-
3053
-
heme
Heme
ME731048
26945
C00032
1124
-
lactosyl-N-nervonoyl-sphingosine (d18:1/24:1)*
LacCer 18:1;O2/24:1
ME731049
-
-
3778
-
lactosyl-N-palmitoyl-sphingosine (d18:1/16:0)
LacCer 18:1;O2/16:0
ME731050
-
-
2527
-
laurylcarnitine (C12)
CAR 12:0
ME731051
10427569
-
1235
-
lignoceroylcarnitine (C24)*
CAR 24:0
ME731053
-
-
1603
-
lignoceroyl sphingomyelin (d18:1/24:0)
SM 18:1;O2/24:0
ME731052
-
-
3437
-
linolenoylcarnitine (C18:3)*
CAR 18:3
ME731054
-
-
1310
-
linoleoylcarnitine (C18:2)*
CAR 18:2
ME731055
6450015
-
1430
-
linoleoylcholine*
alpha-Linoleoylcholine
ME731056
-
-
1388
-
linoleoyl-linoleoyl-glycerol (18:2/18:2) [1]*
DG 18:2_18:2
ME731057
-
-
2689
-
L-urobilin
L-Urobilin
ME731058
5280818
C05793
901
-
margaroylcarnitine*
CAR 17:0
ME731059
-
-
1424
-
meclizine
Meclizine
ME731060
4034
C07116,D08163
1183
-
myristoleoylcarnitine (C14:1)*
CAR 14:1
ME731061
90659872
-
1316
-
myristoylcarnitine (C14)
CAR 14:0
ME731063
6426854
-
1350
-
myristoyl dihydrosphingomyelin (d18:0/14:0)*
SM 18:0;O2/14:0
ME731062
-
-
2060
-
nervonoylcarnitine (C24:1)*
CAR 24:1
ME731064
-
-
1602
-
norfluoxetine
Seproxetine
ME731065
4541
-
1008
-
N-palmitoyl-sphinganine (d18:0/16:0)
Cer 18:0;O2/16:0
ME731066
5283572
-
3090
-
N-palmitoyl-sphingosine (d18:1/16:0)
Cer 18:1;O2/16:0
ME731067
5283564
-
2893
-
N-stearoyl-sphingosine (d18:1/18:0)*
Cer 18:1;O2/18:0
ME731068
5283565
-
3392
-
octanoylcarnitine (C8)
CAR 8:0
ME731069
123701
C02838
950
-
oleoylcarnitine (C18:1)
CAR 18:1
ME731070
6441392
-
1423
-
oleoylcholine
Oleoylcholine
ME731071
-
-
1449
-
oleoyl-linoleoyl-glycerol (18:1/18:2) [1]
DG 18:1_18:2
ME731072
-
-
3115
-
oleoyl-linoleoyl-glycerol (18:1/18:2) [2]
DG 18:1_18:2
ME731073
-
-
3223
-
palmitoleoylcarnitine (C16:1)*
CAR 16:1
ME731074
71464547
-
1357
-
palmitoloelycholine
-
ME731075
-
-
1385
-
palmitoylcarnitine (C16)
CAR 16:0
ME731078
461
C02990
1425
-
palmitoylcholine
Palmitoylcholine
ME731079
151731
-
1482
-
palmitoyl dihydrosphingomyelin (d18:0/16:0)*
SM 18:0;O2/16:0
ME731076
9939965
-
2290
-
palmitoyl sphingomyelin (d18:1/16:0)
SM 18:1;O2/16:0
ME731077
9939941
-
2168
-
piperine
Piperine
ME731080
638024
C03882
1168
-
retinal
Retinal
ME731081
638015
C00376
1666
-
retinol (Vitamin A)
Retinol
ME731082
445354
C00473
1636
-
sphinganine
Sphinganine
ME731083
3126
C00836
1413
-
sphinganine-1-phosphate
Sphinganine 1-phosphate
ME731084
520
-
1431
-
sphingomyelin (d17:1/16:0, d18:1/15:0, d16:1/17:0)...
SM 33:1;O2
ME731085
-
-
2082
-
sphingomyelin (d17:2/16:0, d18:2/15:0)*
SM 33:2;O2
ME731086
-
-
1837
-
sphingomyelin (d18:0/18:0, d19:0/17:0)*
SM 36:0;O2
ME731087
-
-
2362
-
sphingomyelin (d18:0/20:0, d16:0/22:0)*
SM 38:0;O2
ME731088
-
-
2600
-
sphingomyelin (d18:1/14:0, d16:1/16:0)*
SM 32:1;O2
ME731089
11433862
-
1998
-
sphingomyelin (d18:1/17:0, d17:1/18:0, d19:1/16:0)
SM 35:1;O2
ME731090
-
-
2312
-
sphingomyelin (d18:1/18:1, d18:2/18:0)
SM 36:2;O2
ME731091
6443882
-
2167
-
sphingomyelin (d18:1/19:0, d19:1/18:0)*
SM 37:1;O2
ME731092
-
-
2330
-
sphingomyelin (d18:1/20:0, d16:1/22:0)*
SM 38:1;O2
ME731093
-
-
2685
-
sphingomyelin (d18:1/20:1, d18:2/20:0)*
SM 38:2;O2
ME731094
-
-
2383
-
sphingomyelin (d18:1/20:2, d18:2/20:1, d16:1/22:2)...
-
ME731095
-
-
2039
-
sphingomyelin (d18:1/21:0, d17:1/22:0, d16:1/23:0)...
SM 39:1;O2
ME731096
-
-
2793
-
sphingomyelin (d18:1/22:1, d18:2/22:0, d16:1/24:1)...
SM 40:2;O2
ME731097
-
-
2666
-
sphingomyelin (d18:1/22:2, d18:2/22:1, d16:1/24:2)...
SM 40:3;O2
ME731098
-
-
2209
-
sphingomyelin (d18:1/24:1, d18:2/24:0)*
SM 42:2;O2
ME731099
-
-
3033
-
sphingomyelin (d18:1/25:0, d19:0/24:1, d20:1/23:0,...
SM 43:1;O2
ME731100
-
-
3220
-
sphingomyelin (d18:2/14:0, d18:1/14:1)*
SM 32:2;O2
ME731101
-
-
1860
-
sphingomyelin (d18:2/16:0, d18:1/16:1)*
SM 34:2;O2
ME731102
-
-
2002
-
sphingomyelin (d18:2/18:1)*
SM 18:2;O2/18:1
ME731103
-
-
1904
-
sphingomyelin (d18:2/21:0, d16:2/23:0)*
SM 39:2;O2
ME731104
-
-
2330
-
sphingomyelin (d18:2/23:0, d18:1/23:1, d17:1/24:1)...
SM 41:2;O2
ME731105
-
-
2845
-
sphingomyelin (d18:2/23:1)*
SM 18:2;O2/23:1
ME731106
-
-
2315
-
sphingomyelin (d18:2/24:1, d18:1/24:2)*
SM 42:3;O2
ME731107
-
-
2635
-
sphingomyelin (d18:2/24:2)*
SM 18:2;O2/24:2
ME731108
-
-
2215
-
sphingosine
Sphingosine
ME731109
5353955
C00319
1393
-
sphingosine 1-phosphate
Sphingosine 1-phosphate
ME731110
5283560
C06124
1375
-
stearoylcarnitine (C18)
CAR 18:0
ME731112
6426855
-
1485
-
stearoylcholine*
Stearoylcholine
ME731113
-
-
1520
-
stearoyl sphingomyelin (d18:1/18:0)
SM 18:1;O2/18:0
ME731111
6453725
C00550
2400
-
tricosanoyl sphingomyelin (d18:1/23:0)*
SM 18:1;O2/23:0
ME731114
-
-
3200
-
verapamil
Verapamil
ME731115
2520
D02356
945
-
ximenoylcarnitine (C26:1)*
CAR 26:1
ME731116
-
-
1607
-
Analysis: Reversed phase NEGATIVE ION MODE (
View original submitter results
)
Select
Metabolite Name
RefMet Name/Standardized Name*
WorkBenchMetabolite_ID
PubChemCompound_ID
Kegg Id
Retentiontime/index
m/z ratio
10-heptadecenoate (17:1n7)
10Z-Heptadecenoic acid
ME731122
5312435
-
5555
-
10-nonadecenoate (19:1n9)
Nonadeca-10Z-enoic acid
ME731123
5312513
-
5780
-
10-undecenoate (11:1n1)
10-Hendecenoic acid
ME731124
14891
C13910
5085.8
-
11-ketoetiocholanolone glucuronide
-
ME731125
-
-
4280
-
12,13-DiHOME
12,13-DiHOME
ME731126
10236635
C14829
5137
-
1,2,3-benzenetriol sulfate (2)
Pyrogallol sulfate
ME731117
-
-
1709
-
12-HETE
12-HETE
ME731127
5312983
-
5326
-
12-HHTrE
12S-HHTrE
ME731128
5283141
C20388
5175
-
1,3,7-trimethylurate
1,3,7-Trimethyluric acid
ME731118
79437
C16361
1985
-
1,3-dimethylurate
1,3-Dimethyluric acid
ME731119
70346
-
1671.4
-
13-HODE + 9-HODE
HODE
ME731129
43013
-
5275
-
1,5-anhydroglucitol (1,5-AG)
1,5-Anhydrosorbitol
ME731120
64960
C07326
802
-
15-methylpalmitate
15-Methylpalmitic acid
ME731391
17903417
-
5695
-
16a-hydroxy DHEA 3-sulfate
3beta,16alpha-Dihydroxyandrostenone sulfate
ME731130
-
-
4240
-
16-hydroxypalmitate
Juniperic acid
ME731131
10466
C18218
5236.2
-
17alpha-hydroxypregnanolone glucuronide
-
ME731132
-
-
5071.9
-
17alpha-hydroxypregnenolone 3-sulfate
-
ME731133
152971
-
4800
-
1,7-dimethylurate
1,7-Dimethyluric acid
ME731121
91611
C16356
1578.6
-
17-methylstearate
Xi-17-Methyloctadecanoic acid
ME731134
3083779
-
5993
-
1-arachidonoyl-GPA (20:4)
LPA 20:4/0:0
ME731135
-
-
5499
-
1-arachidonoyl-GPI (20:4)*
LPI 20:4/0:0
ME731136
-
-
5482
-
1-arachidonylglycerol (20:4)
MG 20:4
ME731137
5282281
C13857
6250
-
1-dihomo-linolenylglycerol (20:3)
MG 20:3/0:0/0:0
ME731138
-
-
6400
-
1-dihomo-linoleoylglycerol (20:2)
MG 20:2
ME731139
-
-
6800
-
1-docosahexaenoylglycerol (22:6)
MG 22:6
ME731140
-
-
6150
-
1-linolenoylglycerol (18:3)
MG 18:3
ME731141
53480978
-
6214
-
1-linoleoylglycerol (18:2)
MG 18:2
ME731142
5283469
-
6477
-
1-linoleoyl-GPA (18:2)*
LPA 18:2/0:0
ME731143
-
-
5483
-
1-linoleoyl-GPG (18:2)*
LPG 18:2/0:0
ME731144
-
-
5516
-
1-linoleoyl-GPI (18:2)*
LPI 18:2/0:0
ME731145
-
-
5494
-
1-margaroylglycerol (17:0)
MG 17:0
ME731146
107036
-
6571
-
1-methylxanthine
1-Methylxanthine
ME731147
80220
C16358
1568.8
-
1-myristoylglycerol (14:0)
MG 16:3
ME731148
79050
C01885
6353.3
-
1-oleoylglycerol (18:1)
MG 18:1/0:0/0:0
ME731149
5283468
-
6650
-
1-oleoyl-GPA (18:1)
LPA 18:1/0:0
ME731150
5497152
-
5615
-
1-oleoyl-GPI (18:1)*
LPI 18:1/0:0
ME731151
-
-
5599
-
1-palmitoleoylglycerol (16:1)*
MG 16:1
ME731152
-
-
6094
-
1-palmitoleoyl-GPA (16:1)*
LPA 16:1/0:0
ME731153
-
-
5530
-
1-palmitoylglycerol (16:0)
MG 16:0/0:0/0:0
ME731154
14900
-
6550
-
1-palmitoyl-GPA (16:0)
LPA 16:0/0:0
ME731155
6419701
C04036
5600
-
1-palmitoyl-GPG (16:0)*
LPG 16:0/0:0
ME731156
3300276
-
5570
-
1-palmitoyl-GPI (16:0)
LPI 16:0/0:0
ME731157
-
-
5564
-
1-pentadecanoylglycerol (15:0)
MG 15:0
ME731158
190750
-
6200
-
1-stearoyl-GPA (18:0)
LPA 18:0/0:0
ME731159
89567
-
5829
-
1-stearoyl-GPG (18:0)
LPG 18:0/0:0
ME731160
-
-
5816
-
1-stearoyl-GPI (18:0)
LPI 18:0/0:0
ME731161
-
-
5794
-
21-hydroxypregnenolone disulfate
21-Hydroxypregnenolone
ME731163
134595
-
3935
-
2,3-dihydroxy-2-methylbutyrate
2,3-Dihydroxy-2-methylbutanoic acid
ME731162
301941
-
787
-
2-aminoadipate
alpha-Aminoadipic acid
ME731164
469
C00956
639.2
-
2-aminophenol sulfate
2-Aminophenyl sulfate
ME731165
181670
-
1677
-
2-arachidonoylglycerol (20:4)
MG 20:4
ME731166
5282280
C13856
6170
-
2'-deoxyuridine
Deoxyuridine
ME731167
13712
C00526
1586
-
2-docosahexaenoylglycerol (22:6)*
MG 22:6
ME731168
-
-
6050
-
2-ethylphenylsulfate
-
ME731169
-
-
3416
-
2-hydroxy-3-methylvalerate
2-Hydroxy-3-methyl-pentanoic acid
ME731170
164623
-
1800
-
2-hydroxyacetaminophen sulfate*
2-Hydroxyacetaminophen sulfate
ME731171
86290013
-
1674
-
2-hydroxydecanoate
2-Hydroxycapric acid
ME731172
21488
-
4840
-
2-hydroxyhippurate (salicylurate)
Salicyluric acid
ME731173
10253
C07588
2184
-
2-hydroxyoctanoate
2-Hydroxyoctanoic acid
ME731174
94180
-
3736.8
-
2-hydroxypalmitate
2-Hydroxypalmitic acid
ME731175
92836
-
5511.2
-
2-hydroxystearate
2-Hydroxystearic acid
ME731176
69417
C03045
5695
-
2-linoleoylglycerol (18:2)
MG 18:2
ME731177
5365676
-
6250
-
2-methoxyacetaminophen glucuronide*
2-Methoxyacetaminophen glucuronide
ME731178
14367271
-
1633
-
2-methoxyacetaminophen sulfate*
2-Methoxyacetaminophen sulfate
ME731179
86290014
-
1949
-
2-methylcitrate/homocitrate
Homocitric acid
ME731180
-
-
575
-
2-myristoylglycerol (14:0)
MG 0:0/14:0/0:0
ME731181
137938
-
6230
-
2-oleoylglycerol (18:1)
MG 0:0/18:1(9Z)/0:0
ME731182
5319879
-
6500
-
2'-O-methyluridine
2'-O-Methyluridine
ME731183
102212
-
1831
-
2-palmitoleoylglycerol (16:1)*
MG 16:1
ME731184
-
-
6016
-
2-palmitoylglycerol (16:0)
MG 0:0/16:0/0:0
ME731185
123409
-
6400
-
2-palmitoyl-GPC (16:0)*
LPC 0:0/16:0
ME731186
15061532
-
6215
-
2-stearoyl-GPE (18:0)*
LPE 0:0/18:0
ME731187
-
-
6350
-
3-(3-hydroxyphenyl)propionate
3-(3-Hydroxyphenyl)propanoic acid
ME731188
91
C11457
1980
-
3-(3-hydroxyphenyl)propionate sulfate
3-(3-Sulfooxyphenyl)propanoic acid
ME731189
187488
-
1294
-
3-(4-hydroxyphenyl)lactate
Hydroxyphenyllactic acid
ME731190
9378
C03672
1379
-
3,4-methyleneheptanoate
-
ME731192
-
-
3807
-
3,7-dimethylurate
3,7-Dimethyluric acid
ME731193
83126
C16360
1418.2
-
3-acetylphenol sulfate
3-Acetylphenol sulfate
ME731194
-
-
2477
-
3beta,7alpha-dihydroxy-5-cholestenoate
3beta,7alpha-Dihydroxy-5-cholestenoic acid
ME731195
3081084
C17335
5275
-
3beta-hydroxy-5-cholestenoate
Cholestenoic acid
ME731196
165511
C17333
5398
-
3b-hydroxy-5-cholenoic acid
3beta-Hydroxy-5-cholenoic acid
ME731197
92997
-
5205
-
3-carboxy-4-methyl-5-propyl-2-furanpropanoate (CMP...
3-Carboxy-4-methyl-5-propyl-2-furanpropanoic acid
ME731198
123979
-
2800
-
3-hydroxycotinine glucuronide
trans-3-Hydroxycotinine glucuronide
ME731199
183115
-
1745
-
3-hydroxydecanoate
3-Hydroxydecanoic acid
ME731200
26612
-
4634.7
-
3-hydroxyhexanoate
3S-Hydroxyhexanoic acid
ME731201
151492
-
1725
-
3-hydroxyhippurate
3-Hydroxyhippuric acid
ME731202
450268
-
1687
-
3-hydroxylaurate
3-Hydroxydodecanoic acid
ME731203
94216
-
5175
-
3-hydroxyoctanoate
3-Hydroxyoctanoic acid
ME731204
26613
-
3446
-
3-hydroxypyridine sulfate
3-Hydroxypyridine sulfate
ME731205
-
-
1595.5
-
3-hydroxysebacate
3-Hydroxysebacic acid
ME731206
3017884
-
1282
-
3-indoxyl sulfate
Indoxyl sulfate
ME731207
10258
-
2222.2
-
3-methoxycatechol sulfate (1)
3-Methoxycatechol sulfate
ME731208
-
-
2163
-
3-methoxytyramine sulfate
3-Methoxytyramine sulfate
ME731209
-
-
1722
-
3-methyl-2-oxobutyrate
Ketoisovaleric acid
ME731212
49
C00141
1465
-
3-methyl-2-oxovalerate
3-Methyl-2-oxovaleric acid
ME731213
47
C00671
2064.2
-
3-methyl catechol sulfate (1)
3-Methylcatechol sulfate
ME731210
-
-
2790
-
3-methyl catechol sulfate (2)
3-Methylcatechol sulfate
ME731211
-
-
2860
-
3-methylhistidine
3-Methylhistidine
ME731214
64969
C01152
906.3
-
3-methylxanthine
3-Methylxanthine
ME731215
70639
C16357
1700
-
3-(N-acetyl-L-cystein-S-yl) acetaminophen
3-(N-Acetyl-L-cystein-S-yl) acetaminophen
ME731191
83967
-
2094
-
3-phenylpropionate (hydrocinnamate)
Hydrocinnamic acid
ME731216
107
C05629
2860
-
4-acetamidobenzoate
4-Acetamidobenzoic acid
ME731217
19266
D03836
1403
-
4-acetamidophenol
Acetaminophen
ME731218
1983
C06804
2173.7
-
4-acetamidophenylglucuronide
p-Acetamidophenylglucuronide
ME731219
83944
-
1400
-
4-acetaminophen sulfate
Paracetamol sulfate
ME731220
83939
C06804
1792
-
4-acetylphenol sulfate
4-Acetylphenyl sulfate
ME731221
4684006
-
2375
-
4-allylphenol sulfate
4-Allylphenol sulfate
ME731222
-
-
3805
-
4-aminophenol sulfate (2)
-
ME731223
-
-
1168
-
4-ethylphenylsulfate
4-Ethylphenol
ME731224
-
C13637
3580
-
4-HDoHE
4-HDoHE
ME731225
-
-
5394
-
4-hydroxychlorothalonil
4-Hydroxychlorothalonil
ME731226
34217
-
4427
-
4-hydroxycoumarin
4-Hydroxycoumarin
ME731227
54682930
C20414
2470
-
4-hydroxyhippurate
4-Hydroxyhippuric acid
ME731228
151012
-
1475
-
4-hydroxyphenylacetate
4-Hydroxyphenyl acetate
ME731229
127
C00642
1361
-
4-hydroxyphenylacetylglutamine
4-Hydroxyphenylacetylglutamine
ME731230
-
-
1650
-
4-hydroxyphenylpyruvate
4-Hydroxyphenylpyruvic acid
ME731231
979
C01179
1690
-
4-methyl-2-oxopentanoate
Ketoleucine
ME731232
70
C00233
2170
-
4-methylcatechol sulfate
4-Methylcatechol 1-sulfate
ME731233
-
-
2665
-
4-vinylguaiacol sulfate
4-Vinylguaiacol sulfate
ME731234
-
-
3354
-
4-vinylphenol sulfate
4-Hydroxystyrene
ME731235
6426766
C05627
3320
-
5alpha-androstan-3alpha,17alpha-diol monosulfate
-
ME731236
-
-
5208
-
5alpha-androstan-3alpha,17beta-diol 17-glucuronide
-
ME731237
-
-
4930
-
5alpha-androstan-3alpha,17beta-diol disulfate
5alpha-Androstan-3alpha,17beta-diol disulfate
ME731238
-
-
4275
-
5alpha-androstan-3alpha,17beta-diol monosulfate (1...
-
ME731239
-
-
4925
-
5alpha-androstan-3alpha,17beta-diol monosulfate (2...
-
ME731240
-
-
5080
-
5alpha-androstan-3beta,17alpha-diol disulfate
5alpha-Androstan-3beta,17alpha-diol disulfate
ME731241
-
-
4215
-
5alpha-androstan-3beta,17beta-diol disulfate
5alpha-Androstane-3beta,17beta-diol disulfate
ME731242
242332
C12525
3880
-
5alpha-androstan-3beta,17beta-diol monosulfate (2)
-
ME731243
-
-
4685
-
5alpha-pregnan-3(alpha or beta),20beta-diol disulf...
-
ME731244
5127902
-
4310
-
5alpha-pregnan-3beta,20alpha-diol disulfate
5alpha-Pregnan-3beta,20alpha-diol disulfate
ME731245
-
-
3962
-
5alpha-pregnan-3beta,20alpha-diol monosulfate (2)
-
ME731246
-
-
5060
-
5alpha-pregnan-3beta,20beta-diol monosulfate (1)
-
ME731247
-
-
5180
-
5-bromotryptophan
5-Bromo-tryptophan
ME731248
96735
-
3525
-
5-dodecenoate (12:1n7)
5-Dodecenoic acid
ME731249
5312378
-
5224
-
5-HEPE
5-HEPE
ME731250
6439678
-
5316
-
5-HETE
5-HETE
ME731251
5280733
C04805
5382
-
5-hydroxyhexanoate
5-Hydroxycaproic acid
ME731252
170748
-
1267
-
5-hydroxyindoleacetate
5-Hydroxyindoleacetic acid
ME731254
1826
C05635
1510.2
-
5-hydroxyindole sulfate
-
ME731253
-
-
1928
-
5-KETE
5-Oxo-ETE
ME731255
5283159
C14732
5372
-
5-methyluridine (ribothymidine)
Ribothymidine
ME731256
445408
-
1778.1
-
5-oxoproline
Pyroglutamic acid
ME731257
7405
C01879
738.5
-
6-hydroxyindole sulfate
6-Hydroxyindole sulfate
ME731258
-
-
2498
-
6-oxopiperidine-2-carboxylate
6-oxopiperidine-2-carboxylic acid
ME731259
3014237
-
965
-
7-alpha-hydroxy-3-oxo-4-cholestenoate (7-Hoca)
7alpha-Hydroxy-3-oxo-4-cholestenoic acid
ME731260
3081085
C17337
5288.1
-
7-hydroxyindole sulfate
-
ME731261
-
-
1765
-
7-ketodeoxycholate
7-Ketodeoxycholic acid
ME731262
188292
-
4821
-
7-methylurate_1
7-Methyluric acid
ME731263
69160
C16355
1138
-
8-hydroxyoctanoate
8-Hydroxyoctanoic acid
ME731264
69820
-
2300.4
-
9,10-DiHOME
9,10-DiHOME
ME731265
9966640
C14828
5180
-
acesulfame
Acesulfame
ME731266
36573
-
1581
-
aconitate [cis or trans]
cis-Aconitic acid
ME731267
-
-
580
-
adenosine
Adenosine
ME731268
60961
C00212
2075.4
-
adrenate (22:4n6)
Adrenic acid
ME731269
5497181
C16527
5678
-
allopurinol
Allopurinol
ME731270
2094
-
1530
-
allopurinol riboside
Allopurinol riboside
ME731271
-
-
1660
-
alpha-CEHC sulfate
alpha-CEHC sulfate
ME731272
-
-
3090
-
alpha-hydroxycaproate
2-Hydroxyhexanoic acid
ME731273
99824
-
1920
-
alpha-hydroxyisocaproate
2-Hydroxyisocaproic acid
ME731274
83697
C03264
1840
-
alpha-hydroxyisovalerate
2-Hydroxy-3-methylbutyric acid
ME731275
99823
-
1126
-
androstenediol (3alpha, 17alpha) monosulfate (2)
-
ME731277
-
-
4712
-
androstenediol (3alpha, 17alpha) monosulfate (3)
-
ME731278
-
-
5180
-
androstenediol (3beta,17beta) disulfate (1)
4-Androsten-3beta,17beta-diol disulfate
ME731279
87120982
C04295
3740
-
androstenediol (3beta,17beta) disulfate (2)
4-Androsten-3beta,17beta-diol disulfate
ME731280
87120982
C04295
4065
-
androstenediol (3beta,17beta) monosulfate (1)
-
ME731281
13847309
-
4535
-
androstenediol (3beta,17beta) monosulfate (2)
-
ME731282
-
-
4500
-
andro steroid monosulfate C19H28O6S (1)*
-
ME731276
-
C04555
3871
-
androsterone sulfate
5alpha-Androstane-3alpha-ol-17-one sulfate
ME731283
159663
-
5022
-
arachidate (20:0)
Arachidic acid
ME731284
10467
C06425
6240
-
arachidonate (20:4n6)
Arachidonic acid
ME731285
444899
C00219
5535
-
azelate (nonanedioate)
Azelaic acid
ME731286
2266
C08261
1276
-
benzoate
Benzoic acid
ME731287
243
C00180
1750
-
beta-citrylglutamate
Beta-Citryl-glutamic acid
ME731288
72715786
C20775
530
-
beta-hydroxyisovalerate
3-Hydroxyisovaleric acid
ME731289
69362
-
1027
-
caprate (10:0)
Capric acid
ME731290
2969
C01571
5090.7
-
caproate (6:0)
Caproic acid
ME731291
8892
C01585
2713.7
-
caprylate (8:0)
Caprylic acid
ME731292
379
C06423
4362
-
carbamazepine glucuronide*
Carbamazepine N-glucuronide
ME731293
-
-
3884
-
carboxyibuprofen
Carboxyibuprofen
ME731294
10444113
-
1920
-
catechol sulfate
Catechol sulfate
ME731295
3083879
-
1906
-
C-glycosyltryptophan
C-Glycosyltryptophan
ME731296
10981970
-
1777
-
chenodeoxycholate
Chenodeoxycholic acid
ME731297
10133
C02528
5264
-
chlorthalidone
Chlorthalidone
ME731298
2732
D00272
3600
-
cholate
Cholic acid
ME731299
221493
C00695
5165
-
cimetidine
Cimetidine
ME731300
-
-
3176
-
cinnamoylglycine
Cinnamoylglycine
ME731301
709625
-
3127
-
ciprofloxacin
Ciprofloxacin
ME731302
-
C05349
2724
-
citrate
Citric acid
ME731303
311
C00158
582
-
cortisol
Cortisol
ME731304
5754
C00735
4710
-
cortisone
Cortisone
ME731305
222786
C00762
4575
-
cytidine
Cytidine
ME731306
6175
C00475
1325
-
daidzein sulfate (2)
Daidzein sulfate
ME731307
-
-
3330
-
dehydroisoandrosterone sulfate (DHEA-S)
Dehydroepiandrosterone sulfate
ME731308
12594
C04555
4745
-
deoxycholate
Deoxycholic acid
ME731309
222528
C04483
5294
-
desmethylnaproxen
O-Desmethylnaproxen
ME731310
13393711
-
3045
-
desmethylnaproxen sulfate
Desmethylnaproxen sulfate
ME731311
184679
-
2250
-
dihomo-linoleate (20:2n6)
11Z,14Z-Eicosadienoic acid
ME731312
6439848
C16525
5730
-
dihomo-linolenate (20:3n3 or n6)
Dihomo-gamma-linolenic acid
ME731313
5280581
C03242
5596
-
dihydroferulic acid
Dihydroferulic acid
ME731314
14340
-
1928
-
docosadienoate (22:2n6)
13Z,16Z-Docosadienoic acid
ME731315
5282807
C16533
6034
-
docosadioate
Docosanedioic acid
ME731316
244872
C19625
5291.8
-
docosahexaenoate (DHA; 22:6n3)
DHA
ME731317
445580
C06429
5525
-
docosapentaenoate (n3 DPA; 22:5n3)
DPA
ME731318
6441454
C16513
5571
-
docosapentaenoate (n6 DPA; 22:5n6)
Docosapentaenoic acid (22n-6)
ME731319
6441454
C16513
5624.5
-
dodecanedioate
Dodecanedioic acid
ME731320
12736
C02678
2990
-
dopamine 3-O-sulfate
Dopamine 3-O-sulfate
ME731321
122136
C13690
1556.2
-
dopamine 4-sulfate
Dopamine 4-sulfate
ME731322
123932
C13691
1511
-
DSGEGDFXAEGGGVR*
-
ME731323
-
-
2535
-
eicosanodioate
Eicosanedioic acid
ME731324
75502
-
5200.9
-
eicosapentaenoate (EPA; 20:5n3)
EPA
ME731325
446284
C06428
5450
-
eicosenoate (20:1)
cis-Gondoic acid
ME731326
5282768
C16526
5950
-
epiandrosterone sulfate
Epiandrosterone
ME731327
9929317
-
4855
-
erucate (22:1n9)
cis-Erucic acid
ME731328
5281116
C08316
6355.6
-
ethyl glucuronide
Ethyl glucuronide
ME731329
152226
-
793
-
etiocholanolone glucuronide
Androsterone 3-glucuronide
ME731330
270605
-
4915
-
eugenol sulfate
Eugenol sulfate
ME731331
180632
-
3782
-
ferulic acid 4-sulfate
Ferulic acid 4-sulfate
ME731332
6305574
-
1200
-
furosemide
Furosemide
ME731333
3440
D00331
3515
-
gamma-CEHC
gamma-CEHC
ME731334
133098
-
3843
-
gamma-CEHC glucuronide*
gamma-CEHC glucuronide
ME731335
-
-
2500
-
gemfibrozil
Gemfibrozil
ME731336
3463
D00334
5166
-
glycerol
Glycerol
ME731337
753
C00116
758
-
glycochenodeoxycholate
Glycochenodeoxycholic acid
ME731338
12544
C05466
5236.1
-
glycochenodeoxycholate glucuronide (1)
Glycochenodeoxycholic acid 3-glucuronide
ME731339
-
-
4806
-
glycochenodeoxycholate sulfate
-
ME731340
-
-
4820
-
glycocholate
Glycocholic acid
ME731341
10140
C01921
5163
-
glycocholate glucuronide (1)
Glycocholic acid glucuronide
ME731342
-
-
4533
-
glycocholenate sulfate*
Glycocholenate sulfate
ME731343
-
-
4750
-
glycodeoxycholate
Glycodeoxycholic acid
ME731344
3035026
C05464
5281
-
glycodeoxycholate sulfate
Glycodeoxycholate sulfate
ME731345
-
-
4875
-
glycohyocholate
Glycohyocholic acid
ME731346
-
-
5020
-
glycolithocholate
Glycolithocholic acid
ME731347
115245
C15557
5357.1
-
glycolithocholate sulfate*
Sulfoglycolithocholic acid
ME731348
72222
C11301
5011
-
glycoursodeoxycholate
Glycoursodeoxycholic acid
ME731349
12310288
-
5033
-
guanosine
Guanosine
ME731350
6802
C00387
1662
-
heptanoate (7:0)
Heptylic acid
ME731351
8094
C17714
3670
-
hexadecadienoate (16:2n6)
7Z,10Z-Hexadecadienoic acid
ME731352
-
-
5398
-
hexadecanedioate
Hexadecanedioic acid
ME731353
10459
C19615
4615
-
hexanoylglutamine
Hexanoylglutamine
ME731354
-
-
2780
-
hexanoylglycine
Hexanoylglycine
ME731355
99463
-
2900
-
hippurate
Hippuric acid
ME731356
464
C01586
2106.9
-
histidine
Histidine
ME731357
6274
C00135
755.9
-
histidylalanine
His-Ala
ME731358
351667
-
970
-
homovanillate (HVA)
Homovanillic acid
ME731359
1738
C05582
1649
-
HWESASXX*
-
ME731360
-
-
3722
-
hydrochlorothiazide
Hydrochlorothiazide
ME731361
3639
C07041
2046
-
hydroquinone sulfate
Quinol sulfate
ME731362
161220
C00530
1395
-
hyocholate
Hyocholic acid
ME731363
92805
C17649
5046
-
hypoxanthine
Hypoxanthine
ME731364
790
C00262
1291.2
-
ibuprofen
Ibuprofen
ME731365
3672
D00126
4925
-
ibuprofen acyl glucuronide
-
ME731366
163959
-
4976
-
indole-3-carboxylic acid
Indole-3-carboxylic acid
ME731367
69867
C19837
1710
-
indoleacetate
Indoleacetic acid
ME731368
802
C00954
2200
-
indoleacetylglutamine
Indoleacetyl glutamine
ME731369
25200879
-
2535
-
indolelactate
Indolelactic acid
ME731370
92904
C02043
2286
-
indolepropionate
3-Indolepropionic acid
ME731371
3744
-
2795
-
indolepropionylglycine
Indolepropionylglycine
ME731372
7677842
-
2926
-
inosine
Inosine
ME731373
6021
C00294
1602.1
-
isobutyrylglycine
Isobutyrylglycine
ME731374
10855600
-
1420
-
isoeugenol sulfate
Isoeugenol sulfate
ME731375
-
-
3893
-
isoursodeoxycholate
Isoursodeoxycholic acid
ME731376
127601
C17662
4809
-
isovalerate
Isovaleric acid
ME731377
10430
C08262
1564
-
isovalerylglycine
Isovalerylglycine
ME731378
546304
-
1950
-
kynurenate
Kynurenic acid
ME731379
3845
C01717
2224
-
laurate (12:0)
Lauric acid
ME731380
3893
C02679
5300
-
leukotriene B4
LTB4
ME731381
5280492
C02165
5186
-
leukotriene B5
LTB5
ME731382
5283125
-
5075
-
linoleate (18:2n6)
Linoleic acid
ME731383
5280450
C01595
5535
-
linolenate [alpha or gamma; (18:3n3 or 6)]
Octadecatrienoic acid
ME731384
5280934
C06426
5450
-
linoleoyl ethanolamide
Linoleoyl-EA
ME731385
5283446
-
6150
-
lisinopril
Lisinopril
ME731386
3937
-
2617
-
malate
Malic acid
ME731387
525
C00149
615.6
-
margarate (17:0)
Margaric acid
ME731388
10465
-
5731
-
methyl-4-hydroxybenzoate sulfate
Methyl-4-hydroxybenzoate sulfate
ME731390
-
-
2873
-
methyl glucopyranoside (alpha + beta)
Methyl glucose
ME731389
-
-
1070
-
myristate (14:0)
Myristic acid
ME731392
11005
C06424
5440
-
myristoleate (14:1n5)
Myristoleic acid
ME731393
5281119
C08322
5346.9
-
N1-Methyl-2-pyridone-5-carboxamide
N1-Methyl-2-pyridone-5-carboxamide
ME731395
69698
C05842
1668
-
N-(2-furoyl)glycine
2-Furoylglycine
ME731394
21863
-
1525
-
N2,N5-diacetylornithine
N2,N5-Diacetylornithine
ME731396
10398396
-
1367
-
N6-acetyllysine
N6-Acetyllysine
ME731397
92832
C02727
1059
-
N6-carbamoylthreonyladenosine
N6-Carbamoyl-L-threonyladenosine
ME731398
161466
-
2164
-
N6-succinyladenosine
Succinyladenosine
ME731399
165243
-
940
-
N-acetylalliin
N-Acetylalliin
ME731400
-
-
1467
-
N-acetyl-beta-alanine
N-Acetyl-beta-alanine
ME731401
76406
C01073
773
-
N-acetylcarnosine
N-Acetylcarnosine
ME731402
9903482
-
1235
-
N-acetylcitrulline
N-Acetylcitrulline
ME731403
656979
C15532
940
-
N-acetylisoleucine
N-Acetylisoleucine
ME731404
2802421
-
2325
-
N-acetylkynurenine (2)
N-Acetylkynurenine
ME731405
-
-
2378
-
N-acetylleucine
N-Acetylleucine
ME731406
70912
C02710
2400
-
N-acetylmethionine
N-Acetylmethionine
ME731407
448580
C02712
1787
-
N-acetylphenylalanine
N-Acetylphenylalanine
ME731408
74839
C03519
2597
-
N-acetyl-S-allyl-L-cysteine
-
ME731409
152467
-
2237
-
N-acetyltaurine
N-Acetyltaurine
ME731410
159864
-
800
-
N-acetylthreonine
N-Acetylthreonine
ME731411
152204
-
821.6
-
N-acetyltryptophan
N-Acetyl-tryptophan
ME731412
700653
C03137
2630
-
N-acetyltyrosine
N-Acetyltyrosine
ME731413
68310
-
1680
-
N-acetylvaline
N-Acetylvaline
ME731414
66789
-
1704
-
naproxen
Naproxen
ME731415
156391
C01517
4155
-
naringenin 7-glucuronide
Naringenin 7-glucuronide
ME731416
-
-
3144
-
N-delta-acetylornithine
N(5)-Acetyl-ornithine
ME731417
9920500
-
858
-
N-formylanthranilic acid
Formylanthranilic acid
ME731418
101399
C05653
2150
-
N-formylmethionine
N-Formylmethionine
ME731419
439750
C03145
1543.8
-
N-formylphenylalanine
N-Formylphenylalanine
ME731420
759256
-
2360
-
nicotinurate
Nicotinuric acid
ME731421
68499
C05380
1467
-
N-oleoylserine
NA-Ser 18:1(9Z)
ME731422
-
-
5600
-
N-oleoyltaurine
N-Oleoyl taurine
ME731423
6437033
-
5610
-
nonadecanoate (19:0)
Nonadecenoic acid
ME731424
12591
C16535
6068
-
N-palmitoylglycine
N-Palmitoyl glycine
ME731425
151008
-
5580
-
N-palmitoylserine
N-Palmitoyl serine
ME731426
6453686
-
5557
-
N-stearoyltaurine
N-Stearoyl taurine
ME731427
168274
-
5782
-
o-cresol sulfate
o-Cresol sulfate
ME731428
11615528
-
2796
-
octadecanedioate
Octadecanedioic acid
ME731429
70095
-
5043
-
oleate/vaccenate (18:1)
Oleic acid
ME731430
-
-
5655
-
oleoyl ethanolamide
Oleoyl-EA
ME731431
5283454
-
6450
-
omeprazole
Omeprazole
ME731432
4594
C07324
4673
-
O-methylcatechol sulfate
-
ME731433
22473
-
2344
-
O-sulfo-L-tyrosine
Sulfotyrosine
ME731434
514186
-
990
-
oxalate (ethanedioate)
Oxalic acid
ME731435
971
C00209
603
-
palmitate (16:0)
Palmitic acid
ME731436
985
C00249
5618
-
palmitoleate (16:1n7)
Palmitoleic acid
ME731437
445638
C08362
5475
-
palmitoyl ethanolamide
Palmitoyl-EA
ME731438
4671
C16512
6300
-
pantothenate
Pantothenic acid
ME731439
6613
C00864
1498.7
-
paraxanthine
Paraxanthine
ME731440
4687
C13747
2279
-
p-cresol-glucuronide*
P-Cresol glucuronide
ME731442
154035
-
2420
-
p-cresol sulfate
p-Cresol sulfate
ME731441
4615423
-
2890
-
pelargonate (9:0)
Pelargonic acid
ME731443
8158
C01601
4798
-
pentadecanoate (15:0)
Pentadecylic acid
ME731444
13849
C16537
5521
-
perfluorooctanesulfonic acid (PFOS)
Perfluorooctanesulfonic acid
ME731445
74483
C18142
5233
-
phenolphthalein beta-D-glucuronide
-
ME731447
3032634
-
3520
-
phenol sulfate
Phenyl hydrogen sulfate
ME731446
74426
C02180
2156
-
phenylacetate
Phenyl acetate
ME731448
999
C07086
2150
-
phenylacetylglutamate
N-Phenylacetylglutamic acid
ME731449
11579826
-
1630
-
phenylacetylglutamine
alpha-N-Phenylacetylglutamine
ME731450
92258
C04148
2330
-
phenylalanylglycine
Phe-Gly
ME731451
98207
-
2462
-
phenyllactate (PLA)
Phenyllactic acid
ME731452
3848
C05607
2208
-
phenylpyruvate
Phenylpyruvic acid
ME731453
997
C00166
2515
-
pregnanediol-3-glucuronide
Pregnanediol-3-glucuronide
ME731455
123796
-
5145
-
pregnanolone/allopregnanolone sulfate
3alpha-Hydroxy-5beta-pregnane-20-one
ME731456
-
-
5160
-
pregnen-diol disulfate C21H34O8S2*
-
ME731457
-
-
3868
-
pregnenolone sulfate
Pregnenolone sulfate
ME731458
105074
-
5100
-
pregn steroid monosulfate C21H34O5S*
-
ME731454
-
-
5000
-
probenecid
Probenecid
ME731459
4911
D00475
4198
-
propionylglycine
Propionylglycine
ME731460
98681
-
960
-
propyl 4-hydroxybenzoate sulfate
Propylparaben sulfate
ME731461
-
-
3971
-
pseudouridine
Pseudouridine
ME731462
15047
C02067
1100
-
pyridoxate
4-Pyridoxic acid
ME731463
6723
C00847
2185
-
pyrraline
Pyrraline
ME731464
122228
-
2304
-
saccharin
Saccharin
ME731465
5143
D01085
2000
-
S-adenosylhomocysteine (SAH)
S-Adenosylhomocysteine
ME731466
439155
C00021
1832.4
-
salicyluric glucuronide*
Salicyluric glucuronide
ME731467
-
-
1463
-
sebacate (decanedioate)
Sebacic acid
ME731468
5192
C08277
1788
-
S-methylcysteine
Methylcysteine
ME731469
24417
-
880
-
stearate (18:0)
Stearic acid
ME731470
5281
C01530
5872
-
stearidonate (18:4n3)
Stearidonic acid
ME731471
5312508
C16300
5395
-
suberate (octanedioate)
Suberic acid
ME731472
10457
C08278
804.3
-
sulfate*
Sulfate
ME731473
1118
C00059
616
-
tartarate
Tartaric acid
ME731474
444305
C00898
615.3
-
tartronate (hydroxymalonate)
Hydroxypropanedioic acid
ME731475
45
C02287
610
-
tauro-beta-muricholate
Tauro-beta-muricholic acid
ME731476
168408
-
4774
-
taurochenodeoxycholate
Taurochenodeoxycholic acid
ME731477
387316
C05465
5250
-
taurocholate
Taurocholic acid
ME731478
6675
C05122
5150
-
taurocholenate sulfate
Taurocholenate sulfate
ME731479
-
-
4750
-
taurodeoxycholate
Taurodeoxycholic acid
ME731480
2733768
C05463
5257.4
-
taurolithocholate
Taurolithocholic acid
ME731481
10595
C02592
5345
-
taurolithocholate 3-sulfate
Taurolithocholic acid sulfate
ME731482
440071
C03642
5026.7
-
tauroursodeoxycholate
Tauroursodeoxycholic acid
ME731483
9848818
-
5025
-
testosterone sulfate
Testosterone sulfate
ME731484
119207
-
4600
-
tetradecanedioate
Tetradecanedioic acid
ME731485
13185
-
4000
-
theophylline
Theophylline
ME731486
2153
C07130
2356.9
-
threonylphenylalanine
Thr-Phe
ME731487
4099799
-
2322
-
thymol sulfate
-
ME731488
-
C09908
4410
-
thyroxine
Thyroxine
ME731489
5819
C01829
4808
-
tyramine O-sulfate
Tyramine-O-sulfate
ME731490
153005
-
1565
-
umbelliferone sulfate
Umbelliferone sulfate
ME731491
129659
-
2440
-
undecanedioate
Undecanedioic acid
ME731492
15816
-
2440
-
urate
Uric acid
ME731493
1175
C00366
757.1
-
uridine
Uridine
ME731494
6029
C00299
1457.6
-
ursocholate
Ursocholic acid
ME731495
-
-
4648
-
ursodeoxycholate
Ursodeoxycholic acid
ME731496
31401
C07880
5055
-
valylglycine
Val-Gly
ME731497
136487
-
1506
-
vanillactate
Vanillactic acid
ME731498
160637
-
1625
-
vanillic alcohol sulfate
Vanillyl alcohol 4-sulfate
ME731499
-
-
1808
-
vanillylmandelate (VMA)
Vanillylmandelic acid
ME731500
1245
C05584
941
-
warfarin
Warfarin
ME731501
-
C01541
3790
-
xanthosine
Xanthosine
ME731502
64959
C01762
1075
-
xanthurenate
Xanthurenic acid
ME731503
5699
C02470
1476
-
Analysis: HILIC NEGATIVE ION MODE (
View original submitter results
)
Select
Metabolite Name
RefMet Name/Standardized Name*
WorkBenchMetabolite_ID
PubChemCompound_ID
Kegg Id
Retentiontime/index
m/z ratio
1-palmitoyl-2-arachidonoyl-GPI (16:0/20:4)*
PI 16:0/20:4
ME731504
-
-
892
-
1-palmitoyl-2-linoleoyl-GPI (16:0/18:2)
PI 16:0/18:2
ME731505
-
-
910
-
1-palmitoyl-2-oleoyl-GPI (16:0/18:1)*
PI 16:0/18:1
ME731506
-
-
893
-
1-stearoyl-2-arachidonoyl-GPI (18:0/20:4)
PI 18:0/20:4
ME731507
-
-
870
-
1-stearoyl-2-linoleoyl-GPI (18:0/18:2)
PI 18:0/18:2
ME731508
-
-
910
-
2,3-dihydroxyisovalerate
2,3-Dihydroxyisovaleric acid
ME731509
677
C04039
1050
-
2-hydroxyadipate
2-Hydroxyadipic acid
ME731510
193530
C02360
3000
-
2-hydroxybutyrate/2-hydroxyisobutyrate
2-Hydroxybutyric acid/2-Hydroxyisobutyric acid
ME731511
-
-
1258
-
2-hydroxyphenylacetate
2-Hydroxyphenylacetic acid
ME731512
11970
C05852
858.6
-
2-keto-3-deoxy-gluconate
2-Dehydro-3-deoxy-D-gluconic acid
ME731513
161227
C00204
1900
-
3-hydroxy-2-ethylpropionate
2-Ethyl-hydracrylic acid
ME731514
188979
-
1443.3
-
3-hydroxy-3-methylglutarate
3-Hydroxymethylglutaric acid
ME731515
1662
C03761
2850
-
3-hydroxybutyrate (BHBA)
3-Hydroxybutyric acid
ME731516
441
C01089
1475
-
3-hydroxyisobutyrate
3-Hydroxyisobutyric acid
ME731517
87
C06001
1619
-
3-methyladipate
3-Methyladipic acid
ME731518
12292
-
2865
-
3-methylglutaconate
3E-Methylglutaconic acid
ME731519
1551553
-
2700
-
3-sulfo-L-alanine
Cysteic acid
ME731520
72886
C00506
2890
-
5-acetylamino-6-amino-3-methyluracil
5-Acetylamino-6-amino-3-methyluracil
ME731521
88299
C16366
1710
-
5-acetylamino-6-formylamino-3-methyluracil
5-Acetylamino-6-formylamino-3-methyluracil
ME731522
108214
C16365
1424
-
allantoin
Allantoin
ME731523
204
C02350
1672
-
alpha-ketoglutarate
2-Oxoglutaric acid
ME731524
51
C00026
2700
-
arabinose
Arabinose
ME731525
66308
C00216
1804.5
-
arabitol/xylitol
Arabitol
ME731526
6912
C01904
1932.4
-
arabonate/xylonate
Arabinonic acid/Xylonic acid
ME731527
-
-
2700
-
caffeic acid sulfate
Caffeic acid sulfate
ME731528
-
-
1307
-
chiro-inositol
1D-chiro-Inositol
ME731529
-
C19891
3191.2
-
citraconate/glutaconate
Citraconic acid/Glutaconic acid
ME731530
-
-
2600
-
dihydroorotate
4,5-Dihydroorotic acid
ME731531
648
C00337
1910
-
erythritol
Erythritol
ME731532
222285
C00503
1491
-
erythronate*
Erythronic acid
ME731533
2781043
-
2186
-
ethylmalonate
Ethylmalonic acid
ME731534
11756
-
2785
-
fructose
Fructose
ME731535
5984
C00095
2065
-
fumarate
Fumaric acid
ME731536
444972
C00122
3084
-
galactonate
Galactonic acid
ME731537
128869
C00880
3085
-
gentisate
Gentisic acid
ME731538
3469
C00628
905
-
gluconate
Gluconic acid
ME731539
10690
C00257
2922
-
glucose
Glucose
ME731540
79025
C00031
2342
-
glucuronate
Glucuronic acid
ME731541
444791
C00191
3233.3
-
glutarate (pentanedioate)
Glutaric acid
ME731542
743
C00489
2900
-
glycerate
Glyceric acid
ME731543
752
C00258
2070.4
-
guanidinoacetate
Guanidoacetic acid
ME731544
763
C00581
2884
-
guanidinosuccinate
Guanidinosuccinic acid
ME731545
97856
C03139
3550
-
gulonate*
Gulonic acid
ME731546
9794176
C00257
2750
-
homocarnosine
Homocarnosine
ME731547
10243361
C00884
3938.7
-
homocitrulline
Homocitrulline
ME731548
65072
C02427
3006.8
-
hydantoin-5-propionic acid
Hydantoin-5-propionic acid
ME731549
782
C05565
2080
-
lactate
Lactic acid
ME731550
612
C00186
1468.8
-
maleate
Maleic acid
ME731551
444266
C01384
2510
-
mannitol/sorbitol
Sorbitol
ME731552
5780
C00794
2320
-
mannose
Mannose
ME731553
18950
C00159
2200
-
methylsuccinate
Methylsuccinic acid
ME731554
10349
-
2800
-
myo-inositol
Myo-inositol
ME731555
892
C00137
3506.3
-
N2-acetyllysine
N(2)-Acetyllysine
ME731556
92907
C12989
3372.6
-
N-acetylalanine
N-Acetylalanine
ME731557
88064
C02847
1564.8
-
N-acetylaspartate (NAA)
N-Acetylaspartic acid
ME731558
65065
C01042
3143
-
N-acetylglutamate
N-Acetylglutamic acid
ME731559
70914
C00624
3106
-
N-acetylglutamine
N-Acetylglutamine
ME731560
182230
C02716
2140
-
N-acetylhistidine
N-Acetylhistidine
ME731561
75619
C02997
2088
-
N-acetylserine
N-Acetylserine
ME731562
65249
-
2000
-
N-methyltaurine
N-Methyltaurine
ME731563
7882
-
1650
-
orotate
Orotic acid
ME731564
967
C00295
1638.1
-
orotidine
Orotidine
ME731565
92751
-
2250
-
oxypurinol
Oxypurinol
ME731566
4644
D02365
1656
-
pimelate (heptanedioate)
Pimelic acid
ME731567
385
C02656
2745
-
pyruvate
Pyruvic acid
ME731568
1060
C00022
1083
-
quinate
Quinic acid
ME731569
6508
C00296
2432.9
-
ribitol
Ribitol
ME731570
6912
C00474
1789.6
-
ribonate
Ribonic acid
ME731571
5460677
C01685
2425
-
salicylate
Salicylic acid
ME731572
338
C00805
802
-
succinate
Succinic acid
ME731573
1110
C00042
3149
-
succinimide
Succinimide
ME731574
11439
C07273
2155
-
sucrose
Sucrose
ME731575
5988
C00089
3092
-
threonate
Threonic acid
ME731576
151152
C01620
2384
-
trans-urocanate
Urocanic acid
ME731577
736715
C00785
1882.5
-
uracil
Uracil
ME731578
1174
C00106
1089.7
-
xanthine
Xanthine
ME731579
1188
C00385
2023
-
xylose
Xylose
ME731580
135191
C00181
1727
-
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