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Return to study ST001192 main page
Analysis: HILIC POSITIVE ION MODE
Select
Metabolite Name
RefMet Name/Standardized Name*
WorkBenchMetabolite_ID
PubChemCompound_ID
Kegg Id
Retentiontime/index
m/z ratio
s-adenosylmethionine
S-Adenosylmethionine
ME282919
-
-
10.13
399.1446
alpha-glycerophosphocholine
sn-Glycero-3-phosphocholine
ME282868
-
-
10.39
258.1101
anserine
Anserine
ME282890
-
-
10.43
241.1295
spermidine
Spermidine
ME282870
-
-
10.53
146.1651
N1-acetylspermine
N1-Acetylspermine
ME282945
-
-
10.86
245.2336
phosphocholine
Choline phosphate
ME282867
-
-
12.02
184.0723
bilirubin
Bilirubin
ME282921
-
-
1.58
585.2708
cortisol
Cortisol
ME282955
-
-
1.70
363.2166
cortexolone/2,1-deoxycortisol
-
ME282954
-
-
1.71
347.2217
quercetin
Quercetin
ME282972
-
-
1.73
303.0499
cortisone
Cortisone
ME282924
-
-
1.74
361.2010
cerulenin
Cerulenin
ME282953
-
-
1.75
224.1281
m-coumaric acid
trans-m-Coumaric acid
ME282963
-
-
1.75
165.0547
anthranilic acid
2-Aminobenzoic acid
ME282856
-
-
1.76
138.0549
3-hydroxyanthranilic acid
3-Hydroxyanthranilic acid
ME282861
-
-
1.83
154.0499
5-HIAA
5-Hydroxyindoleacetic acid
ME282849
-
-
1.87
192.0655
1,2,4-trimethylbenzene
1,2,4-Trimethylbenzene
ME282928
-
-
1.88
121.1011
acetaminophen
Acetaminophen
ME282947
-
-
1.89
152.0706
N-acetylleucine
N-Acetylleucine
ME282939
-
-
2.63
174.1125
N-acetyltryptophan
N-Acetyl-tryptophan
ME282942
-
-
2.75
247.1078
thymidine
Thymidine
ME282877
-
-
2.77
243.0975
N-acetyphenylalanine
-
ME282943
-
-
3.07
208.0969
niacinamide
Niacinamide
ME282864
-
-
3.53
123.0553
nicotinate
Nicotinic acid
ME282964
-
-
3.55
124.0393
mevalonic acid
Mevalonic acid
ME282882
-
-
3.64
149.0799
xanthine
Xanthine
ME282975
-
-
3.66
153.0407
N-carbamoyl-beta-alanine
Ureidopropionic acid
ME282862
-
-
3.96
133.0608
pseudouridine
Pseudouridine
ME282968
-
-
4.04
245.0769
methylthioadenosine
Methylthioadenosine
ME282918
-
-
4.09
298.0967
6,8-dihydroxypurine
6,8-Dihydroxypurine
ME282935
-
-
4.17
153.0407
xanthosine
Xanthosine
ME282878
-
-
4.18
285.0829
urocanic acid
Urocanic acid
ME282974
-
-
4.34
139.0502
adrenochrome
Adrenochrome
ME282948
-
-
4.38
180.0655
glycerol
Glycerol
ME282874
-
-
4.40
93.0546
pterin
Pterin
ME282969
-
-
4.58
164.0567
hypoxanthine
Hypoxanthine
ME282926
-
-
4.69
137.0457
2'-O-methyladenosine/3'-O-methyladenosine
-
ME282929
-
-
4.82
282.1194
adenosine
Adenosine
ME282875
-
-
4.86
268.1040
cotinine
Cotinine
ME282881
-
-
4.89
177.1024
1-methylguanosine/2-O-methylguanosine
-
ME282927
-
-
4.93
298.1147
kynurenic acid
Kynurenic acid
ME282857
-
-
5.12
190.0499
guanosine
Guanosine
ME282960
-
-
5.14
284.0989
guanine
Guanine
ME282959
-
-
5.26
152.0567
sphinganine
Sphinganine
ME282973
-
-
5.64
302.3053
5-methylcytidine
5-Methylcytidine
ME282933
-
-
5.71
258.1084
cytidine
Cytidine
ME282957
-
-
5.72
244.0928
phytosphingosine
Phytosphingosine
ME282966
-
-
5.74
318.3003
2-deoxycytidine
Deoxycytidine
ME282880
-
-
5.85
228.0978
cytosine
Cytosine
ME282876
-
-
5.85
112.0505
taurine
Taurine
ME282847
-
-
5.96
126.0220
cellobiose
Cellobiose
ME282952
-
-
6.03
343.1237
2-deoxyadenosine
Deoxyadenosine
ME282879
-
-
6.06
252.1061
C20:4 carnitine
CAR 20:4
ME282910
-
-
6.06
448.3421
C26 carnitine
CAR 26:0
ME282911
-
-
6.12
540.4950
serotonin
Serotonin
ME282850
-
-
6.13
177.1023
5-methylcytosine
5-Methylcytosine
ME282934
-
-
6.15
126.0662
tyramine
Tyramine
ME282917
-
-
6.15
138.0913
3-methoxytyramine
3-Methoxytyramine
ME282912
-
-
6.23
168.1020
cyclohexylamine
Cyclohexylamine
ME282956
-
-
6.27
100.1120
C20 carnitine
CAR 20:0
ME282909
-
-
6.32
456.4046
creatinine
Creatinine
ME282872
-
-
6.33
114.0662
tryptophan
Tryptophan
ME282842
-
-
6.39
205.0972
C18 carnitine
CAR 18:0
ME282905
-
-
6.42
428.3735
C18:1 carnitine
CAR 18:1
ME282906
-
-
6.44
426.3577
C18:2 carnitine
CAR 18:2
ME282908
-
-
6.49
424.3420
C16 carnitine
CAR 16:0
ME282904
-
-
6.52
400.3422
metanephrine
L-Metanephrine
ME282916
-
-
6.58
198.1125
5-hydroxytryptophan
5-Hydroxy-tryptophan
ME282848
-
-
6.60
221.0921
phenylalanine
Phenylalanine
ME282840
-
-
6.60
166.0863
phenylalanine-d8
Phenylalanine
ME282824
-
-
6.61
174.1365
C14 carnitine
CAR 14:0
ME282903
-
-
6.64
372.3109
tyrosine
Tyrosine
ME282841
-
-
6.71
182.0812
atenolol
Atenolol
ME282913
-
-
6.77
267.1703
leucine
Leucine
ME282838
-
-
6.86
132.1011
N-acetylglutamine
N-Acetylglutamine
ME282938
-
-
6.89
189.0870
C18:1-OH carnitine
CAR 18:1;OH
ME282907
-
-
6.91
442.3496
methionine
Methionine
ME282829
-
-
6.93
150.0583
DOPA
DOPA
ME282914
-
-
6.98
198.0761
isoleucine
Isoleucine
ME282839
-
-
6.98
132.1011
C9 carnitine
CAR 9:0
ME282901
-
-
7.05
302.2326
C16:0 SM
SM 18:1;O2/16:0
ME282923
-
-
7.09
703.5747
4-guanidinobutanoic acid
4-Guanidinobutanoic acid
ME282932
-
-
7.11
146.0924
valine
Valine
ME282837
-
-
7.25
118.0857
C10:2 carnitine
CAR 10:2
ME282902
-
-
7.26
312.2168
valine-d8
Valine
ME282823
-
-
7.32
126.1365
5-aminolevulinic acid
5-Amino-levulinic acid
ME282884
-
-
7.34
132.0656
beta-guanidinopropionic acid
3-Guanidinopropanoic acid
ME282950
-
-
7.34
132.0767
GABA/alpha-aminoisobutyric acid
-
ME282851
-
-
7.43
104.0706
glutamate
Glutamic acid
ME282831
-
-
7.51
148.0604
C18:0 LPC
LPC 18:0
ME282922
-
-
7.52
524.3712
homoserine
Homoserine
ME282915
-
-
7.53
120.0655
threonine
Threonine
ME282828
-
-
7.54
120.0649
1-methyladenosine
1-Methyladenosine
ME282920
-
-
7.55
282.1196
serine
Serine
ME282827
-
-
7.58
106.0498
acetylcholine
Acetylcholine
ME282869
-
-
7.62
146.1174
nor-psi-tropine
Nor-psi-tropine
ME282965
-
-
7.63
128.1070
C5 carnitine
CAR 5:0
ME282897
-
-
7.64
246.1701
alanine
Alanine
ME282826
-
-
7.70
90.0550
C3 carnitine
CAR 3:0
ME282893
-
-
7.74
218.1387
guanidoacetic acid
Guanidoacetic acid
ME282958
-
-
7.74
118.0611
C6 carnitine
CAR 6:0
ME282900
-
-
7.75
260.1837
alanyalanine
-
ME282949
-
-
7.78
161.0920
hydroxyproline
Hydroxyproline
ME282844
-
-
7.79
132.0655
N-acetylputrescine
N-Acetylputrescine
ME282941
-
-
7.80
131.1179
glycine
Glycine
ME282825
-
-
7.82
76.0393
DMGV
DMGV
ME282936
-
-
7.84
202.1197
asparagine
Asparagine
ME282832
-
-
7.85
133.0608
C4 carnitine
CAR 4:0
ME282895
-
-
7.85
232.1544
pipecolic acid
Pipecolic acid
ME282883
-
-
7.86
130.0863
beta-alanine
beta-Alanine
ME282889
-
-
7.88
90.0549
C5-DC carnitine
CAR DC5:0
ME282899
-
-
7.91
276.1442
glutamine
Glutamine
ME282833
-
-
7.94
147.0764
trimethylamine-N-oxide
Trimethylamine N-oxide
ME282873
-
-
7.94
76.0758
pyroglutamic acid
Pyroglutamic acid
ME282885
-
-
7.95
130.0491
imidazoleacetic acid
Imidazoleacetic acid
ME282962
-
-
7.99
127.0502
proline
Proline
ME282843
-
-
7.99
116.0706
sarcosine
Sarcosine
ME282888
-
-
8.01
90.0549
N-a-acetyarginine
-
ME282937
-
-
8.04
217.1295
aspartate
Aspartic acid
ME282830
-
-
8.06
134.0448
1-methylnicotinamide
1-Methyl nicotinamide
ME282886
-
-
8.08
137.0709
C5:1 carnitine
CAR 5:1
ME282898
-
-
8.12
244.1544
choline
Choline
ME282866
-
-
8.12
104.1069
creatine
Creatine
ME282871
-
-
8.19
132.0768
N6-acetyllysine
N6-Acetyllysine
ME282946
-
-
8.25
189.1233
citrulline
Citrulline
ME282846
-
-
8.26
176.1029
N-acetylornithine
N-Acetylornithine
ME282940
-
-
8.35
175.1077
dimethylglycine
Dimethylglycine
ME282852
-
-
8.42
104.0706
C3-DC-CH3 carnitine
CAR 3:0;2Me
ME282894
-
-
8.43
262.1286
C2 carnitine
CAR 2:0
ME282892
-
-
8.51
204.1232
methionine sulfoxide
Methionine sulfoxide
ME282887
-
-
8.56
166.0522
3-dehydroxycarnitine
3-Dehydroxycarnitine
ME282930
-
-
8.62
146.1175
carnitine
Carnitine
ME282891
-
-
8.67
162.1125
C4-OH carnitine
CAR 4:0;OH
ME282896
-
-
8.71
248.1494
ectoine
Ectoine
ME282925
-
-
8.82
143.0815
betaine
Betaine
ME282865
-
-
8.86
118.0857
histidinol
L-Histidinol
ME282961
-
-
8.95
142.0975
pyridoxamine
Pyridoxamine
ME282971
-
-
8.98
169.0971
arginine
Arginine
ME282835
-
-
9.07
175.1190
histamine
Histamine
ME282860
-
-
9.09
112.0869
proline betaine
Proline betaine
ME282967
-
-
9.10
144.1018
ornithine
Ornithine
ME282845
-
-
9.19
133.0971
cadaverine
Cadaverine
ME282951
-
-
9.21
103.1229
putrescine
Putrescine
ME282970
-
-
9.26
89.1074
lysine
Lysine
ME282836
-
-
9.31
147.1128
NMMA
Targinine
ME282855
-
-
9.31
189.1346
histidine
Histidine
ME282834
-
-
9.33
156.0768
1-methylhistamine
1-Methylhistamine
ME282858
-
-
9.48
126.1025
thiamine
Thiamine
ME282863
-
-
9.55
265.1117
SDMA
Symmetric dimethylarginine
ME282854
-
-
9.58
203.1488
carnosine
Carnosine
ME282859
-
-
9.67
227.1138
ADMA
Dimethylarginine
ME282853
-
-
9.68
203.1488
N1-acetylspermidine
N1-Acetylspermidine
ME282944
-
-
9.71
188.1758
3-methylhistidine
3-Methylhistidine
ME282931
-
-
9.79
170.0924
Analysis: HILIC NEGATIVE ION MODE
Select
Metabolite Name
RefMet Name/Standardized Name*
WorkBenchMetabolite_ID
PubChemCompound_ID
Kegg Id
Retentiontime/index
m/z ratio
linoleoyl ethanolamide
Linoleoyl-EA
ME283030
-
-
1.10
322.2752
corticosterone
Corticosterone
ME283005
-
-
1.15
345.2071
4-hydroxybenzeneacetonitrile
4-Hydroxybenzeneacetonitrile
ME282986
-
-
1.20
132.0455
thymine
Thymine
ME283058
-
-
1.35
125.0357
thymine-d4
Thymine
ME282977
-
-
1.35
129.0608
uracil
Uracil
ME283061
-
-
1.50
111.0200
riboflavin
Riboflavin
ME283049
-
-
1.60
375.1310
uridine
Uridine
ME283063
-
-
1.75
243.0623
xylose
Xylose
ME283066
-
-
1.75
149.0455
fructose/glucose/galactose
Hexose
ME283010
-
-
1.85
179.0561
3-4-dihydroxyphenylglycol
-
ME282982
-
-
2.00
169.0506
sorbitol
Sorbitol
ME283051
-
-
2.00
181.0718
cytidine
Cytidine
ME283006
-
-
2.20
242.0782
adenine
Adenine
ME282988
-
-
2.25
134.0472
4-hydroxybenzaldehyde
4-Hydroxybenzaldehyde
ME282985
-
-
2.45
121.0295
lactose/sucrose/trehalose
-
ME283029
-
-
2.45
341.1089
theophylline
Theophylline
ME283056
-
-
2.50
179.0574
inositol
Inositol
ME283026
-
-
2.70
179.0561
3-4-dihydroxybenzylamine
-
ME282981
-
-
2.80
138.0561
guanine
Guanine
ME283018
-
-
2.80
150.0421
proline
Proline
ME283044
-
-
2.95
114.0560
guanosine
Guanosine
ME283019
-
-
3.00
282.0844
methionine
Methionine
ME283035
-
-
3.00
148.0440
norepinephrine
Norepinephrine
ME283038
-
-
3.00
168.0666
phenylalanine
Phenylalanine
ME283043
-
-
3.05
164.0717
alanine
Alanine
ME282990
-
-
3.10
88.0400
eicosapentaenoate
Eicosapentaenoic acid
ME283008
-
-
3.10
301.2173
N6-acetyllysine
N6-Acetyllysine
ME283036
-
-
3.10
187.1088
tryptophan
Tryptophan
ME283059
-
-
3.35
203.0826
caprylate
Caprylic acid
ME283001
-
-
3.40
143.1078
hypoxanthine
Hypoxanthine
ME283023
-
-
3.40
135.0312
glutamine
Glutamine
ME283015
-
-
3.45
145.0620
caproate
Caproic acid
ME283000
-
-
3.50
115.0765
citrulline
Citrulline
ME283004
-
-
3.50
174.0884
threonine
Threonine
ME283057
-
-
3.50
118.0510
tyrosine
Tyrosine
ME283060
-
-
3.50
180.0666
isovalerate
Isovaleric acid
ME283027
-
-
3.55
101.0608
alpha-hydroxybutyrate/beta-hydroxybutyrate
-
ME282992
-
-
3.60
103.0401
hydrocinnamate
Hydrocinnamic acid
ME283022
-
-
3.60
149.0608
taurine
Taurine
ME283054
-
-
3.60
124.0074
4-pyridoxate
4-Pyridoxic acid
ME282987
-
-
3.65
182.0459
butyrate
Butyric acid
ME282999
-
-
3.65
87.0452
phenylacetate
Phenyl acetate
ME283042
-
-
3.70
135.0452
tetrahydro-1-methyl-beta-carboline-3-carboxylate
-
ME283055
-
-
3.70
229.0983
2-furoylglycine
2-Furoylglycine
ME282979
-
-
3.80
168.0302
arginine
Arginine
ME282994
-
-
3.80
173.1040
glycodeoxycholate/glycochenodeoxycholate
Glycodeoxycholic acid
ME283017
-
-
3.80
448.3068
histidine
Histidine
ME283021
-
-
3.80
154.0620
lithocholate
Lithocholic acid
ME283031
-
-
3.80
375.2905
lactate
Lactic acid
ME283028
-
-
3.85
89.0244
3-hydroxykynurenate
3-Hydroxykynurenic acid
ME282983
-
-
3.90
223.0724
glycocholate-d4
Glycocholic acid
ME282976
-
-
3.90
468.3269
pantothenate
Pantothenic acid
ME283040
-
-
3.90
218.1034
propionate
Propionic acid
ME283045
-
-
3.90
73.0295
benzoate
Benzoic acid
ME282998
-
-
4.00
121.0295
chenodeoxycholate/deoxycholate
Deoxycholic acid
ME283002
-
-
4.00
391.2854
nicotinate
Nicotinic acid
ME283037
-
-
4.05
122.0248
glycerate
Glyceric acid
ME283016
-
-
4.10
105.0193
quinate
Quinic acid
ME283047
-
-
4.30
191.0561
erythronate
Erythronic acid
ME283009
-
-
4.40
135.0299
indolelactate
Indolelactic acid
ME283025
-
-
4.40
204.0666
indole-3-propionate
3-Indolepropionic acid
ME283024
-
-
4.45
188.0717
gentisate
Gentisic acid
ME283012
-
-
4.60
153.0193
lysine
Lysine
ME283032
-
-
4.60
145.0983
pyruvate
Pyruvic acid
ME283046
-
-
4.80
87.0088
xanthine
Xanthine
ME283064
-
-
4.95
151.0261
glucuronate
Glucuronic acid
ME283013
-
-
5.00
193.0354
malonate
Malonic acid
ME283034
-
-
5.00
103.0037
glutamate
Glutamic acid
ME283014
-
-
5.20
146.0459
2-aminoadipate
alpha-Aminoadipic acid
ME282978
-
-
5.25
160.0615
aspartate
Aspartic acid
ME282996
-
-
5.25
132.0302
urate
Uric acid
ME283062
-
-
5.25
167.0211
3-methyladipate/pimelate
-
ME282984
-
-
6.75
159.0663
sebacate
Sebacic acid
ME283050
-
-
6.75
201.1132
suberate
Suberic acid
ME283052
-
-
6.75
173.0819
adipate
Adipic acid
ME282989
-
-
6.80
145.0506
succinate
Succinic acid
ME283053
-
-
6.90
117.0193
azelaic acid
Azelaic acid
ME282997
-
-
6.95
187.0976
malate
Malic acid
ME283033
-
-
6.95
133.0142
2-hydroxyglutarate
2-Hydroxyglutaric acid
ME282980
-
-
7.00
147.0299
fumarate/maleate
Fumaric acid
ME283011
-
-
7.05
115.0037
alpha-glycerophosphate
sn-Glycero-3-phosphate
ME282991
-
-
7.25
171.0064
pentose monophosphate
Ribose 5-phosphate
ME283041
-
-
7.25
229.0119
hexose monophosphate
Fructose 6-phosphate
ME283020
-
-
7.30
259.0224
alpha-ketoglutarate
2-Oxoglutaric acid
ME282993
-
-
7.35
145.0142
dCMP
dCMP
ME283007
-
-
7.40
306.0497
oxalate
Oxalic acid
ME283039
-
-
7.40
88.9880
quinolinate
Quinolinic acid
ME283048
-
-
7.45
166.0146
xanthurenate
Xanthurenic acid
ME283065
-
-
8.30
204.0302
ascorbate
Vitamin C
ME282995
-
-
8.50
175.0248
citrate/isocitrate
Citric acid/Isocitric acid
ME283003
-
-
9.00
191.0197
Analysis: Reversed phase NEGATIVE ION MODE
Select
Metabolite Name
RefMet Name/Standardized Name*
WorkBenchMetabolite_ID
PubChemCompound_ID
Kegg Id
Retentiontime/index
m/z ratio
oxypurinol
Oxypurinol
ME283149
-
-
0.71
151.0248
dimethylurate
1,7-Dimethyluric acid
ME283146
-
-
0.86
195.0514
N-acetylalanine
N-Acetylalanine
ME283148
-
-
0.86
130.0496
porphobilinogen
Porphobilinogen
ME283153
-
-
0.86
225.0874
levulinate
Levulinic acid
ME283072
-
-
0.87
115.0387
theophylline
Theophylline
ME283134
-
-
0.92
179.0564
saccharin
Saccharin
ME283135
-
-
0.95
181.9907
acetytyrosine
-
ME283142
-
-
0.97
222.0766
9_10-diHOME
9,10-DiHOME
ME283069
-
-
10.02
313.2382
formylmethionine
N-Formylmethionine
ME283147
-
-
1.01
176.0387
chenodeoxycholate
Chenodeoxycholic acid
ME283118
-
-
10.20
391.2848
deoxycholate
Deoxycholic acid
ME283119
-
-
10.40
391.2848
carnosol
Carnosol
ME283144
-
-
10.45
329.1754
hexadecanedioate
Hexadecanedioic acid
ME283099
-
-
10.46
285.2067
caprate
Capric acid
ME283078
-
-
10.65
171.1391
5_6 diHETE
-
ME283071
-
-
11.00
335.2226
13-HODE
13-HODE
ME283070
-
-
11.29
295.2274
masilinate
-
ME283116
-
-
11.47
471.3472
lithocholate
Lithocholic acid
ME283117
-
-
12.07
375.2897
hydroxymyristate
Hydroxytetradecanoic acid
ME283087
-
-
12.18
243.1960
16:0 PC(O)
-
ME283140
-
-
12.20
526.3508
dodecanoate
Lauric acid
ME283081
-
-
12.27
199.1692
myristoleate
Myristoleic acid
ME283083
-
-
12.63
225.1852
p-hydroxyphenylacetate
4-Hydroxyphenylacetic acid
ME283152
-
-
1.29
151.0388
eicosanedioate
Eicosanedioic acid
ME283114
-
-
13.00
341.2693
eicosapentaenoate
Eicosapentaenoic acid
ME283103
-
-
13.32
301.2170
palmitoylethanolamide
Palmitoyl-EA
ME283150
-
-
13.39
344.2803
alpha-linolenate
alpha-Linolenic acid
ME283095
-
-
13.45
277.2168
gamma-linolenate
gamma-Linolenic acid
ME283094
-
-
13.52
277.2168
oleanate
-
ME283115
-
-
13.52
455.3525
2-hydroxyhexadecanoate
2-Hydroxypalmitic acid
ME283093
-
-
13.62
271.2276
myristate
Myristic acid
ME283084
-
-
13.70
227.2009
docosahexaenoate
Docosahexaenoic acid
ME283110
-
-
13.80
327.2326
palmitoleate
Palmitoleic acid
ME283088
-
-
13.91
253.2168
arachidonate
Arachidonic acid
ME283104
-
-
14.02
303.2326
docosapentaenoate
Docosapentaenoic acid
ME283111
-
-
14.16
329.2481
linoleate
Linoleic acid
ME283096
-
-
14.20
279.2327
pentadecanoate
Pentadecylic acid
ME283086
-
-
14.32
241.2166
10-heptadecenoate
-
ME283091
-
-
14.48
267.2326
eicosatrienoate
Dihomo-gamma-linolenic acid
ME283105
-
-
14.50
305.2483
adrenate
Adrenic acid
ME283112
-
-
14.80
331.2639
palmitate
Palmitic acid
ME283089
-
-
14.88
255.2326
oleate
Oleic acid
ME283097
-
-
15.00
281.2484
eicosadienoate
11Z,14Z-Eicosadienoic acid
ME283106
-
-
15.15
307.2639
heptadecanoate
Margaric acid
ME283092
-
-
15.39
269.2483
10-nonadecenoate
-
ME283100
-
-
15.47
295.2638
stearate
Stearic acid
ME283098
-
-
15.83
283.2640
eicosenoate
Eicosenoic acid
ME283107
-
-
15.88
309.2796
phytanate
Phytanic acid
ME283109
-
-
16.09
311.2952
17-Methylstearate
Xi-17-Methyloctadecanoic acid
ME283102
-
-
16.14
297.2795
nonadecanoate
Nonadecylic acid
ME283101
-
-
16.28
297.2795
13-docosenoate
-
ME283113
-
-
16.71
337.3109
arachidate
Arachidic acid
ME283108
-
-
16.73
311.2953
mandelate
Mandelic acid
ME283076
-
-
1.88
151.0401
4-hydroxystyrene
4-Hydroxystyrene
ME283141
-
-
2.22
119.0488
phenyllactate
Phenyllactic acid
ME283151
-
-
2.22
165.0544
crustecdysone
20-Hydroxyecdysone
ME283145
-
-
2.43
525.3069
salicylate
Salicylic acid
ME283133
-
-
2.90
137.0239
azelate
Azelaic acid
ME283136
-
-
3.85
187.0964
indoleacetate
Indoleacetic acid
ME283079
-
-
4.00
174.0561
sebacate
Sebacic acid
ME283137
-
-
5.83
201.1123
caproate
Caproic acid
ME283073
-
-
5.88
115.0758
hydrocinnamate
Hydrocinnamic acid
ME283075
-
-
5.89
149.0595
2-hydroxyibuprofen
2-Hydroxyibuprofen
ME283138
-
-
5.92
221.1183
carboxyibuprofen
Carboxyibuprofen
ME283139
-
-
6.11
235.0970
urobilin
L-Urobilin
ME283155
-
-
6.30
593.3334
2-hydroxyoctanoate
2-Hydroxyoctanoic acid
ME283077
-
-
6.44
159.1027
undecanedionate
Undecanedioic acid
ME283082
-
-
6.86
215.1280
taurohyodeoxycholate/tauroursodeoxycholate
-
ME283131
-
-
6.92
498.2890
taurocholate
Taurocholic acid
ME283132
-
-
7.08
514.2834
heptanoate
Heptylic acid
ME283074
-
-
7.49
129.0907
dodecanedioate
Dodecanedioic acid
ME283085
-
-
7.71
229.1445
glycoursodeoxycholate
Glycoursodeoxycholic acid
ME283126
-
-
7.74
448.3063
PGE2-d4
PGE2
ME283067
-
-
7.76
355.2424
alpha-CEHC
alpha-CEHC
ME283143
-
-
7.77
277.1445
glycocholate
Glycocholic acid
ME283127
-
-
7.78
464.3010
alpha-muricholate
alpha-Muricholic acid
ME283122
-
-
7.80
407.2798
taurochenodeoxycholate
Taurochenodeoxycholic acid
ME283129
-
-
7.95
498.2888
ketodeoxycholate
-
ME283121
-
-
8.03
405.2641
3-hydroxydecanoate
3-Hydroxydecanoic acid
ME283080
-
-
8.17
187.1328
taurodeoxycholate
Taurodeoxycholic acid
ME283130
-
-
8.19
498.2889
pregnenolone sulfate
Pregnenolone sulfate
ME283154
-
-
8.31
395.1893
cholate
Cholic acid
ME283123
-
-
8.79
407.2797
glycochenodeoxycholate
Glycochenodeoxycholic acid
ME283124
-
-
8.90
448.3061
hyodeoxycholate/ursodeoxycholate
-
ME283120
-
-
8.95
391.2854
tetradecanedioate
Tetradecanedioic acid
ME283090
-
-
9.11
257.1755
glycodeoxycholate
Glycodeoxycholic acid
ME283125
-
-
9.13
448.3061
taurolithocholate
Taurolithocholic acid
ME283128
-
-
9.27
482.2930
12_13-diHOME
12,13-DiHOME
ME283068
-
-
9.83
313.2382
Analysis: Reversed phase POSITIVE ION MODE
Select
Metabolite Name
RefMet Name/Standardized Name*
WorkBenchMetabolite_ID
PubChemCompound_ID
Kegg Id
Retentiontime/index
m/z ratio
C24:0 Ceramide (d18:1)
Cer 18:1;O2/24:0
ME283182
-
-
10.03
650.6438
C44:2 TAG
TG 44:2
ME283217
-
-
10.76
769.6315
C42:0 TAG
TG 42:0
ME283216
-
-
10.87
745.6309
C42:0 TAG +NH4
TG 42:0
ME283282
-
-
10.87
740.6753
C54:8 TAG
TG 54:8
ME283243
-
-
10.96
897.6936
C44:1 TAG
TG 44:1
ME283218
-
-
10.98
771.6468
C52:6 TAG
TG 52:6
ME283234
-
-
11.10
873.6936
C52:6 TAG +NH4
TG 52:6
ME283296
-
-
11.10
868.7384
C48:3 TAG
TG 48:3
ME283223
-
-
11.16
823.6780
C48:3 TAG +NH4
TG 48:3
ME283286
-
-
11.16
818.7224
C54:7 TAG
TG 54:7
ME283244
-
-
11.20
899.7092
C54:7 TAG +NH4
TG 54:7
ME283304
-
-
11.20
894.7543
C44:0 TAG
TG 44:0
ME283219
-
-
11.22
773.6619
C44:0 TAG +NH4
TG 44:0
ME283283
-
-
11.22
768.7066
C50:4 TAG +NH4
TG 50:4
ME283290
-
-
11.24
844.7384
C50:4 TAG
TG 50:4
ME283227
-
-
11.25
849.6939
C46:1 TAG
TG 46:1
ME283220
-
-
11.33
799.6775
C46:1 TAG +NH4
TG 46:1
ME283284
-
-
11.33
794.7218
C52:5 TAG
TG 52:5
ME283235
-
-
11.35
875.7091
C52:5 TAG +NH4
TG 52:5
ME283297
-
-
11.35
870.7538
C20:5 CE
CE 20:5
ME283194
-
-
11.37
693.5575
C48:2 TAG
TG 48:2
ME283224
-
-
11.40
825.6937
C48:2 TAG +NH4
TG 48:2
ME283287
-
-
11.41
820.7392
C54:6 TAG
TG 54:6
ME283245
-
-
11.44
901.7243
C50:3 TAG +NH4
TG 50:3
ME283291
-
-
11.49
846.7537
C22:6 CE +NH4
CE 22:6
ME283268
-
-
11.50
714.6193
C50:3 TAG
TG 50:3
ME283228
-
-
11.50
851.7091
C22:6 CE
CE 22:6
ME283197
-
-
11.51
719.5733
C18:3 CE
CE 18:3
ME283190
-
-
11.52
669.5574
C18:3 CE +NH4
CE 18:3
ME283263
-
-
11.52
664.6025
C46:0 TAG
TG 46:0
ME283221
-
-
11.56
801.6934
C46:0 TAG +NH4
TG 46:0
ME283285
-
-
11.58
796.7382
C52:4 TAG
TG 52:4
ME283236
-
-
11.58
877.7248
C52:4 TAG +NH4
TG 52:4
ME283298
-
-
11.58
872.7694
C20:4 CE
CE 20:4
ME283195
-
-
11.65
695.5730
C48:1 TAG
TG 48:1
ME283225
-
-
11.65
827.7095
C51:3 TAG
TG 51:3
ME283232
-
-
11.65
865.7248
C51:3 TAG +NH4
TG 51:3
ME283294
-
-
11.65
860.7698
C20:4 CE +NH4
CE 20:4
ME283266
-
-
11.66
690.6179
C48:1 TAG +NH4
TG 48:1
ME283288
-
-
11.66
822.7561
C54:5 TAG +NH4
TG 54:5
ME283305
-
-
11.68
898.7852
C54:5 TAG
TG 54:5
ME283246
-
-
11.69
903.7403
C16:1 CE
CE 16:1
ME283188
-
-
11.72
645.5576
C50:2 TAG +NH4
TG 50:2
ME283292
-
-
11.72
848.7694
C47:0 TAG
TG 47:0
ME283222
-
-
11.73
815.7095
C50:2 TAG
TG 50:2
ME283229
-
-
11.74
853.7248
C22:5 CE
CE 22:5
ME283198
-
-
11.75
721.5890
C56:6 TAG
TG 56:6
ME283252
-
-
11.77
929.7546
C56:6 TAG +NH4
TG 56:6
ME283309
-
-
11.77
924.8010
C18:2 CE
CE 18:2
ME283191
-
-
11.80
671.5731
C18:2 CE +NH4
CE 18:2
ME283264
-
-
11.81
666.6179
C52:3 TAG +NH4
TG 52:3
ME283299
-
-
11.83
874.7848
C52:3 TAG
TG 52:3
ME283237
-
-
11.84
879.7403
C20:3 CE
CE 20:3
ME283196
-
-
11.90
697.5887
C20:3 CE +NH4
CE 20:3
ME283267
-
-
11.90
692.6335
C48:0 TAG
TG 48:0
ME283226
-
-
11.90
829.7247
C48:0 TAG +NH4
TG 48:0
ME283289
-
-
11.91
824.7688
C51:2 TAG
TG 51:2
ME283233
-
-
11.91
867.7399
C51:2 TAG +NH4
TG 51:2
ME283295
-
-
11.91
862.7851
C54:4 TAG
TG 54:4
ME283247
-
-
11.93
905.7558
C54:4 TAG +NH4
TG 54:4
ME283306
-
-
11.93
900.8032
C53:3 TAG +NH4
TG 53:3
ME283302
-
-
11.97
888.8019
C50:1 TAG
TG 50:1
ME283230
-
-
11.99
855.7405
C56:5 TAG
TG 56:5
ME283253
-
-
12.00
931.7709
C56:5 TAG +NH4
TG 56:5
ME283310
-
-
12.00
926.8164
C53:3 TAG
TG 53:3
ME283241
-
-
12.01
893.7555
C16:0 CE
CE 16:0
ME283189
-
-
12.03
647.5743
C16:0 CE +NH4
CE 16:0
ME283262
-
-
12.03
642.6203
C22:4 CE
CE 22:4
ME283199
-
-
12.03
723.6046
C52:2 TAG +NH4
TG 52:2
ME283300
-
-
12.08
876.8005
C52:2 TAG
TG 52:2
ME283238
-
-
12.09
881.7559
C18:1 CE
CE 18:1
ME283192
-
-
12.11
673.5888
C18:1 CE +NH4
CE 18:1
ME283265
-
-
12.11
668.6337
C54:3 TAG +NH4
TG 54:3
ME283307
-
-
12.17
902.8161
C54:3 TAG
TG 54:3
ME283248
-
-
12.18
907.7716
C53:2 TAG +NH4
TG 53:2
ME283303
-
-
12.21
890.8140
C50:0 TAG
TG 50:0
ME283231
-
-
12.25
857.7557
C50:0 TAG +NH4
TG 50:0
ME283293
-
-
12.25
852.8008
C53:2 TAG
TG 53:2
ME283242
-
-
12.25
895.7725
C56:4 TAG
TG 56:4
ME283254
-
-
12.27
933.7875
C56:4 TAG +NH4
TG 56:4
ME283311
-
-
12.27
928.8317
C52:1 TAG
TG 52:1
ME283239
-
-
12.34
883.7710
C55:3 TAG
TG 55:3
ME283251
-
-
12.35
921.7885
C54:2 TAG +NH4
TG 54:2
ME283308
-
-
12.37
904.8311
C54:2 TAG
TG 54:2
ME283249
-
-
12.43
909.7865
C18:0 CE
CE 18:0
ME283193
-
-
12.47
675.6051
C56:3 TAG
TG 56:3
ME283255
-
-
12.52
935.8032
C52:0 TAG
TG 52:0
ME283240
-
-
12.61
885.7876
C52:0 TAG +NH4
TG 52:0
ME283301
-
-
12.61
880.8319
C54:1 TAG
TG 54:1
ME283250
-
-
12.70
911.8026
C56:2 TAG
TG 56:2
ME283256
-
-
12.81
937.8161
C56:1 TAG
TG 56:1
ME283257
-
-
13.11
939.8348
sphingosine
Sphingosine
ME283179
-
-
4.20
300.2895
C14:1 MAG +NH4
MG 14:1
ME283269
-
-
4.55
318.2635
C18:2 LPC
LPC 18:2
ME283158
-
-
4.64
520.3397
C16:0 LPC
LPC 16:0
ME283157
-
-
4.80
496.3396
linoleoylethanolamide
Linoleoyl-EA
ME283260
-
-
4.80
324.2894
C16:0 LPE
LPE 16:0
ME283162
-
-
4.81
454.2925
C20:3 LPC
LPC 20:3
ME283161
-
-
4.81
518.3216
C16:1 MAG
MG 16:1
ME283200
-
-
4.88
339.2503
palmithoylethanolamide
-
ME283261
-
-
4.95
300.2896
C18:1 LPC
LPC 18:1
ME283159
-
-
4.97
522.3553
C18:1 LPE
LPE 18:1
ME283163
-
-
4.98
480.3086
C20:0 LPE
LPE 20:0
ME283165
-
-
5.08
510.3553
N-Oleoylethanolamine
Oleoyl-EA
ME283259
-
-
5.34
326.3051
C18:0 LPC
LPC 18:0
ME283160
-
-
5.36
524.3711
C18:0 LPE
LPE 18:0
ME283164
-
-
5.36
482.3241
C18:0 MAG
MG 18:0
ME283201
-
-
5.77
381.2972
C18:0 MAG +NH4
MG 18:0
ME283270
-
-
5.77
376.3419
C24:0 PC
PC 24:0
ME283156
-
-
6.43
622.4439
7-Dehydrodesmosterol
7-Dehydro-desmosterol
ME283258
-
-
6.61
383.3304
C32:0 PE
PE 32:0
ME283175
-
-
7.79
692.5214
C16:0 SM
SM 18:1;O2/16:0
ME283184
-
-
8.12
703.5739
C36:4 PC-A
PC 36:4
ME283169
-
-
8.21
782.5707
C16:0 Ceramide (d18:1)
Cer 18:1;O2/16:0
ME283180
-
-
8.23
538.5192
C32:1 PE
PE 32:1
ME283174
-
-
8.23
690.5062
C34:2 PE
PE 34:2
ME283176
-
-
8.38
716.5218
C34:0 PE
PE 34:0
ME283177
-
-
8.39
720.5552
C34:2 PC
PC 34:2
ME283167
-
-
8.39
758.5685
C36:4 PC-B
PC 36:4
ME283170
-
-
8.41
782.5668
C32:2 DAG
DG 32:2
ME283203
-
-
8.42
587.4644
C36:3 PC
PC 36:3
ME283171
-
-
8.54
784.5845
C30:0 DAG +NH4
DG 30:0
ME283271
-
-
8.55
558.5090
C30:0 DAG
DG 30:0
ME283202
-
-
8.56
563.4643
C32:0 PC
PC 32:0
ME283166
-
-
8.57
734.5684
C34:3 DAG +NH4
DG 34:3
ME283273
-
-
8.60
608.5250
C34:3 DAG
DG 34:3
ME283206
-
-
8.61
613.4801
C18:0 SM
SM 18:1;O2/18:0
ME283185
-
-
8.62
731.6057
C34:1 PC
PC 34:1
ME283168
-
-
8.70
760.5844
C36:4 DAG
DG 36:4
ME283214
-
-
8.71
639.4955
C36:4 DAG +NH4
DG 36:4
ME283281
-
-
8.71
634.5401
C32:1 DAG
DG 32:1
ME283204
-
-
8.75
589.4799
C32:1 DAG +NH4
DG 32:1
ME283272
-
-
8.75
584.5247
C36:2 PE
PE 36:2
ME283178
-
-
8.83
744.5531
C36:2 PC
PC 36:2
ME283172
-
-
8.86
786.5999
C34:2 DAG
DG 34:2
ME283207
-
-
8.89
615.4955
C34:2 DAG +NH4
DG 34:2
ME283274
-
-
8.90
610.5402
C36:3 DAG
DG 36:3
ME283210
-
-
9.02
641.5111
C36:3 DAG +NH4
DG 36:3
ME283277
-
-
9.02
636.5558
C32:0 DAG
DG 32:0
ME283205
-
-
9.07
591.4955
C36:1 PC
PC 36:1
ME283173
-
-
9.15
788.6152
C34:1 DAG
DG 34:1
ME283208
-
-
9.20
617.5112
C34:1 DAG +NH4
DG 34:1
ME283275
-
-
9.20
612.5559
C36:2 DAG
DG 36:2
ME283211
-
-
9.32
643.5267
C36:2 DAG +NH4
DG 36:2
ME283278
-
-
9.32
638.5715
C38:4 DAG
DG 38:4
ME283215
-
-
9.34
667.5259
C34:0 DAG
DG 34:0
ME283209
-
-
9.48
619.5267
C34:0 DAG +NH4
DG 34:0
ME283276
-
-
9.51
614.5714
C22:0 SM
SM 18:1;O2/22:0
ME283186
-
-
9.55
787.6674
C24:1 SM
SM 18:1;O2/24:1
ME283187
-
-
9.60
813.6844
C22:0 Ceramide (d18:1)
Cer 18:1;O2/22:0
ME283181
-
-
9.61
622.6126
C36:1 DAG
DG 36:1
ME283212
-
-
9.63
645.5424
C36:1 DAG +NH4
DG 36:1
ME283279
-
-
9.64
640.5871
C24:1 Ceramide (d18:1)
Cer 18:1;O2/24:1
ME283183
-
-
9.67
648.6284
C36:0 DAG
DG 36:0
ME283213
-
-
9.88
647.5581
C36:0 DAG +NH4
DG 36:0
ME283280
-
-
9.91
642.6027
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