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Return to study ST001175 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
Cys-Phe-Gly-Gly
-
ME280684
-
-
10.01011857
382.1310535
Deoxycytidine
Deoxycytidine
ME280709
-
C00881
10.03316345
227.0905003
L-Ala-L-Glu
-
ME280870
-
-
10.17040055
218.090255
4-(Trimethylammonio)but-2-enoate
(E)-4-(Trimethylammonio)but-2-enoate
ME280853
-
C04114
10.19826305
143.0946616
5-Hydroxytryptophan
5-Hydroxy-tryptophan
ME280631
-
C01017
10.25325325
220.0848125
Asn-Leu-Pro-Pro
-
ME280711
-
-
10.28779322
439.2432116
Glu-Leu
Glu-Leu
ME280644
-
-
10.33635671
260.1371712
L-Leucine
Leucine
ME280877
-
C00123
10.33965721
131.0946395
Met-Phe-Asp
Met-Phe-Asp
ME280696
-
-
10.36960856
411.1466255
O-Acetylcarnitine
CAR 2:0
ME280901
-
C02571
10.39224725
203.1157274
xi-4,5-Dihydro-2,4(5)-dimethyl-1H-imidazole
-
ME280802
-
-
10.5722401
98.08445824
Trp-Trp-Tyr-Tyr
-
ME280755
-
-
10.58126041
716.2953581
methiin
-
ME280800
-
-
10.58712821
151.0301804
4-Aminobutanal
4-Aminobutyraldehyde
ME280798
-
C00555
10.68520411
87.06836476
O-Acetyl-L-homoserine
O-Acetyl-homoserine
ME280804
-
C01077
10.74274838
161.068757
L-Valine
Valine
ME280797
-
C00183
10.87500602
117.0789631
Heme
Heme
ME280794
-
C00032
10.96889762
615.1691968
Glu-Ala-Gly-CHO
-
ME280613
-
-
11.04685938
259.1168278
Asn-Gly-Pro-Pro
-
ME280686
-
-
11.06555113
383.1803499
L-Methionine
Methionine
ME280839
-
C00073
11.21558556
149.0510904
N-Acetyl-L-leucine
N-Acetylleucine
ME280874
-
C02710
11.2209623
173.1052088
8-Amino-7-oxononanoate
8-Amino-7-oxononanoic acid
ME280900
-
C01092
11.26778394
187.1209407
L-Tryptophan
Tryptophan
ME280821
-
C00078
11.32855166
204.0899447
Otonecine
Otonecine
ME280896
-
C10356
11.36858743
185.105359
Glu-Cys-Cys
Glu-Cys-Cys
ME280638
-
-
11.48338069
353.0711968
Ala-Pro
Ala-Pro
ME280868
-
-
11.51565887
186.1004711
N6-Acetyl-N6-hydroxy-L-lysine
N(6)-Acetyl-N(6)-hydroxy-lysine
ME280810
-
C03955
11.52304079
204.1108601
gamma-L-Glutamyl-L-cysteine
gamma-Glutamylcysteine
ME280871
-
C00669
11.58593339
250.0621893
Hercynine
Hercynine
ME280891
-
C05575
11.668751
197.1165156
Thr-Pro
Thr-Pro
ME280897
-
-
11.68042051
216.1108736
Thr-Ala
Thr-Ala
ME280857
-
-
11.73698615
190.0953296
N-acetyl -D- glucosaminitol
N-Acetyl-glucosaminitol
ME280879
-
-
11.75080449
223.1055382
N-hydroxyisoleucine
N-hydroxyisoleucine
ME280832
-
-
11.75289019
147.0895238
5-Acetamidopentanoate
5-Acetamidovaleric acid
ME280808
-
C03087
11.85216031
159.089604
N2-Acetyl-L-aminoadipate
N-Acetyl-2-aminoadipic acid
ME280867
-
C12986
11.97201699
203.0794933
Ile-Gly
Ile-Gly
ME280876
-
-
11.9773934
188.1160534
L-Pipecolate
Pipecolic acid
ME280875
-
C00408
11.9811896
129.0790182
N-Acetyl-D-mannosamine
N-Acetyl-mannosamine
ME280703
-
C00645
12.06419768
221.0900253
[FA oxo,amino(6:0)] 3-oxo-5S-amino-hexanoic acid
(S)-5-Amino-3-oxohexanoate
ME280827
-
C03656
12.11203964
145.0739651
Guanine
Guanine
ME280812
-
C00242
12.11923396
151.0494655
Ile-Ala
Ile-Ala
ME280905
-
-
12.15033491
202.1318187
N-(1-Deoxy-1-fructosyl)proline
-
ME280642
-
-
12.15387247
277.1162226
Pirbuterol
Pirbuterol
ME280655
-
C07807
12.20998134
240.1473912
Thr-Cys
Thr-Cys
ME280858
-
-
12.21419288
222.0673603
2-Amino-9,10-epoxy-8-oxodecanoic acid
2-Amino-9,10-epoxy-8-oxodecanoic acid
ME280615
-
C12027
12.29147123
215.1158323
Met-Ala-Gly
Met-Ala-Gly
ME280622
-
-
12.35172334
277.1092429
Leu-Asp
Leu-Asp
ME280619
-
-
12.36498523
246.1215219
L-Proline
Proline
ME280859
-
C00148
12.43275289
115.0633068
Ile-Ile-Pro
Ile-Ile-Pro
ME280694
-
-
12.43660226
341.2315077
D-Glucose oxime
Glucosoxime
ME280833
-
C02264
12.43973786
195.0742264
N-Acetyl-L-citrulline
N-Acetylcitrulline
ME280809
-
C15532
12.5594904
217.1059871
Lotaustralin
Lotaustralin
ME280641
-
C08334
12.69646505
261.1211409
Ala-Gly-Pro
Ala-Gly-Pro
ME280611
-
-
12.7229826
243.1219204
Methacholine
Methacholine
ME280878
-
C07471
12.76089208
159.1259748
L-Carnitine
Carnitine
ME280700
-
C00487
12.79689131
161.1052353
4-Trimethylammoniobutanoate
3-Dehydroxycarnitine
ME280698
-
C01181
12.80032328
145.1103183
L-Tyrosine
Tyrosine
ME280910
-
C00082
12.85962983
181.0739655
Asn-His
Asn-His
ME280605
-
-
12.90276038
269.1122578
2-amino-3,7-dideoxy-D-threo-hept-6-ulosonate
-
ME280855
-
-
12.92472571
191.0795239
S-Adenosyl-L-homocysteine
S-Adenosylhomocysteine
ME280824
-
C00021
12.96989204
384.121625
Ala-Ala-Asn
Ala-Ala-Asn
ME280620
-
-
13.01945218
274.127917
Pro-Ser
Pro-Ser
ME280869
-
-
13.07610867
202.0954578
Val-Arg
Val-Arg
ME280649
-
-
13.12698222
273.1803506
6,7-Dimethyl-8-(1-D-ribityl)lumazine
6,7-Dimethyl-8-(1-D-ribityl)lumazine
ME280667
-
C04332
13.18775357
326.1225989
L-Methionine S-oxide
Methionine sulfoxide
ME280807
-
C02989
13.21355457
165.0459342
N-Acetyllactosamine
N-Acetyllactosamine
ME280675
-
C00611
13.22365774
383.1429039
Glu-Met-Ser
Glu-Met-Ser
ME280669
-
-
13.38015356
365.1258311
AMP
AMP
ME280819
-
C00020
13.58070644
347.0630541
NAD+
NAD+
ME280753
-
C00003
13.70933079
663.1095567
cyclic GMP-AMP
-
ME280708
-
-
13.71968531
674.0992835
gamma-Glutamyl-beta-cyanoalanine
gamma-Glutamyl-beta-cyanoalanine
ME280886
-
C05711
13.77304684
243.0853688
Asn-Pro
Asn-Pro
ME280893
-
-
13.82442375
229.106159
Ala-Leu-Thr-Ala
-
ME280688
-
-
13.94748848
374.2165397
sn-glycero-3-Phosphocholine
sn-Glycero-3-phosphocholine
ME280902
-
C00670
13.96497791
257.1024116
5-Guanidino-2-oxopentanoate
2-Oxoarginine
ME280826
-
C03771
13.97736034
173.0800995
CMP-N-trimethyl-2-aminoethylphosphonate
CMP-2-trimethylaminoethylphosphonate
ME280676
-
C05674
14.0264016
472.1128858
5-6-Dihydrouridine
5,6-Dihydrouridine
ME280890
-
-
14.08162277
246.0850416
S-(2-Hydroxyethyl)glutathione
S-(2-Hydroxyethyl)glutathione
ME280656
-
C14875
14.11138629
351.1098071
6-Acetyl-D-glucose
6-Acetylglucose
ME280872
-
C02655
14.12302823
222.0739758
2-hydroxy-3-carboxy-4,5-cyclopropylhex-5-enoate
-
ME280862
-
-
14.13957275
186.0528908
4a-Hydroxytetrahydrobiopterin
4a-Hydroxytetrahydrobiopterin
ME280894
-
C15522
14.20173813
257.1120157
5-Aminolevulinate
5-Amino-levulinic acid
ME280863
-
C00430
14.2018407
131.058454
3-Butynoate
3-Butynoic acid
ME280795
-
C06144
14.28429554
84.02105814
2,3-Dimethylmaleate
Dimethyl maleate
ME280846
-
C00922
14.31247856
144.0423324
Cys-Gly
Cys-Gly
ME280803
-
C01419
14.33027215
178.0412333
Creatine
Creatine
ME280836
-
C00300
14.35592262
131.0693786
L-Threonine
Threonine
ME280628
-
C00188
14.380021
119.0582528
L-Alanine
Alanine
ME280614
-
C00041
14.40011465
89.04762932
Muramic acid
Muramic acid
ME280903
-
C06470
14.47141475
251.1004015
Choline phosphate
Choline phosphate
ME280847
-
C00588
14.54881615
183.0661045
Glu-Ala-Ser
Glu-Ala-Ser
ME280639
-
-
14.61003146
305.1224473
D-Glucosamine
Glucosamine
ME280805
-
C00329
14.65979215
179.0793461
Ergothioneine
Ergothioneine
ME280892
-
C05570
14.67561632
229.0884215
Glu-Thr
Glu-Thr
ME280898
-
-
14.68606057
248.1007956
N6-Galacturonyl-L-lysine
-
ME280658
-
-
14.69985129
322.13744
4-Guanidinobutanoate
4-Guanidinobutanoic acid
ME280630
-
C01035
14.74698365
145.0853083
L-Glutamate
Glutamic acid
ME280873
-
C00025
14.75461266
147.0531525
gamma-Amino-gamma-cyanobutanoate
4-Amino-4-cyano-butanoic acid
ME280817
-
C05715
14.772914
128.0584571
Nicotinamide D-ribonucleotide
Nicotinamide ribotide
ME280600
-
C00455
14.82477351
334.0564564
L-Glutamine
Glutamine
ME280838
-
C00064
14.89602268
146.0691152
Lys-Pro
Lys-Pro
ME280645
-
-
15.00973327
243.1582052
Lys-Thr-Ser
Lys-Thr-Ser
ME280670
-
-
15.06466893
334.1853544
ADP
ADP
ME280598
-
C00008
15.06711213
427.0292176
CDP-choline
CDP-choline
ME280601
-
C00307
15.09366727
488.1079821
4-Aminobutanoate
gamma-Aminobutyric acid
ME280837
-
C00334
15.14304938
103.0633022
L-Asparagine
Asparagine
ME280834
-
C00152
15.24217615
132.0535386
Glu-Pro
Glu-Pro
ME280607
-
-
15.26930538
244.105961
N-acetyl-demethylphophinothricin
-
ME280831
-
-
15.27010431
208.0615047
D-erythro-D-galacto-octitol
D-Erythro-D-galacto-octitol
ME280881
-
-
15.35363124
242.1002813
Thr-Arg
Thr-Arg
ME280625
-
-
15.36289506
275.1594171
D-myo-Inositol 1,2-cyclic phosphate
Inositol cyclic phosphate
ME280828
-
C04299
15.4003693
242.0190387
Lys-His
Lys-His
ME280657
-
-
15.61002264
283.1643622
Aspartyl-L-proline
Asp-Pro
ME280889
-
-
15.62181087
230.0902477
Mesaconate
Mesaconic acid
ME280814
-
C01732
15.66156317
130.0266566
Ala-Glu-Glu-His
-
ME280707
-
-
15.69402724
484.1926009
a Cysteine adduct
-
ME280849
-
-
15.70291054
191.0252372
L-Citrulline
Citrulline
ME280677
-
C00327
15.70308363
175.0957384
L-Serine
Serine
ME280830
-
C00065
15.76006767
105.0425802
S-Adenosyl-L-methionine
S-Adenosylmethionine
ME280825
-
C00019
15.86211376
398.1372557
Asn-Asp
Asn-Asp
ME280865
-
-
16.05404985
247.0803858
Asn-Arg
Asn-Arg
ME280624
-
-
16.1706646
288.1545389
Asp-Ser
Asp-Ser
ME280852
-
-
16.20936975
220.0695086
Ser-Arg
Ser-Arg
ME280908
-
-
16.29660373
261.1441033
L-Cystine
Cystine
ME280829
-
C00491
16.35693078
240.0237715
(2,6-anhydro-3-deoxy-D-arabino-heptulopyranosid)on...
-
ME280856
-
-
16.39038078
272.0298651
gamma-Glutamyl-Se-methylselenocysteine
gamma-Glutamyl-Se-methylselenocysteine
ME280811
-
C05695
16.41633338
312.0220164
ATP
ATP
ME280716
-
C00002
16.5178263
506.9959292
Asp-Thr-Cys-Cys
-
ME280673
-
-
16.64281501
440.1034147
UDP
UDP
ME280912
-
C00015
16.69873363
404.0023846
Ala-Asn-Ser
Ala-Asn-Ser
ME280621
-
-
16.76989215
290.1227231
NADP+
NADP+
ME280713
-
C00006
16.78854808
743.0759505
Glu-Glu
Glu-Glu
ME280608
-
C01425
17.03409512
276.0961831
Asp-Cys-Cys-Ser
S-Glutathionyl-cysteine
ME280668
-
-
17.0858622
426.0878429
Glu-Glu-Pro
Glu-Glu-Pro
ME280679
-
-
17.18319812
373.1485132
N-Methylnicotinate
Trigonelline
ME280860
-
C01004
17.29978373
137.0477046
Glutathione disulfide
Oxidized glutathione
ME280752
-
C00127
17.46228842
612.1516741
Asp-Gly-Arg
Asp-Gly-Arg
ME280660
-
-
17.51195507
346.1596763
N-dimethylethanolamine
-
ME280796
-
-
17.52770123
89.08402647
Ala-Ala-Ala-Ser
-
ME280659
-
-
17.60385582
318.1536343
N2-Fructopyranosylarginine
-
ME280665
-
-
17.73840052
336.164703
GDP-mannose
GDP-mannose
ME280685
-
C00096
18.59473728
605.0771895
Glutathione
Glutathione
ME280737
-
C00051
18.61850593
307.0838992
Convicine
Convicine
ME280604
-
C08430
19.03065038
305.085935
N-Acetylputrescine
N-Acetylputrescine
ME280835
-
C02714
19.07587067
130.110658
3-Hydroxy-N6,N6,N6-trimethyl-L-lysine
3-Hydroxy-N6,N6,N6-trimethyl-lysine
ME280813
-
C01259
19.82232693
204.1474036
Choline
Choline
ME280842
-
C00114
20.3192414
103.0996767
Ile-Lys-Pro
Ile-Lys-Pro
ME280695
-
-
20.5013941
356.2423097
Thiamin
Thiamine
ME280653
-
C00378
20.5957084
264.1044029
psicoselysine
Psicosyllysine
ME280664
-
-
20.71446803
308.1582696
NG,NG-Dimethyl-L-arginine
Dimethylarginine
ME280880
-
C03626
20.95183967
202.1430435
N6,N6,N6-Trimethyl-L-lysine
N-6-Trimethyllysine
ME280915
-
C03793
21.11209943
188.1525557
Lys-Val
Lys-Val
ME280648
-
-
21.42796795
245.1738718
L-Ornithine
Ornithine
ME280841
-
C00077
21.72914092
132.0899206
L-Lysine
Lysine
ME280882
-
C00047
22.37975295
146.1055758
L-Arginine
Arginine
ME280884
-
C00062
23.65141377
174.1116607
PS(52:0)
PS 52:0
ME280801
-
-
3.423273105
1027.781062
PS(36:0)
PS 36:0
ME280771
-
-
3.44378397
791.566389
PS(34:0)
PS 34:0
ME280758
-
-
3.463884295
763.5358215
PE(32:0)
PE 32:0
ME280743
-
-
3.484548393
691.5148107
Montecristin
-
ME280740
-
-
3.486267623
574.4953718
PE(32:1)
PE 32:1
ME280742
-
-
3.488726278
689.4990802
1-(14-methyl-pentadecanoyl)-2-(8-[3]-ladderane-oct...
-
ME280747
-
-
3.488995508
602.5265494
PS(34:1)
PS 34:1
ME280756
-
-
3.494078205
761.5199685
[PI(36:0)
PI 36:0
ME280782
-
-
3.503340692
879.5850147
[ST] (5Z,7E)-9,10-seco-5,7,10(19)-cholestatriene
3-Deoxyvitamin D3
ME280733
-
-
3.514756722
368.3442941
Cohibin C
-
ME280741
-
-
3.515354162
576.5106242
Cer(d40:2)
Cer 40:2;O2
ME280757
-
-
3.568712503
619.5904018
[SP (24:0)] N-(15Z-tetracosenoyl)-sphing-4-enine
Cer 18:1;O2/24:1
ME280770
-
C00195
3.571072108
647.621477
[SP (16:0)] N-(hexadecanoyl)-sphing-4-enine
Cer 18:1;O2/16:0
ME280739
-
C00195
3.584786537
537.5129607
PE(P-40:5)
PE P-40:5
ME280781
-
-
3.590516658
777.5685189
PE(P-38:5)
PE P-38:5
ME280774
-
C00350
3.602097752
749.5349396
PE(O-38:5)
PE O-38:5
ME280775
-
C00350
3.612757697
751.5520735
PE(38:6)
PE 38:6
ME280773
-
-
3.631191038
763.5154052
PE(P-36:4)
PE P-36:4
ME280764
-
C00350
3.632333653
723.52062
(24R,24'R)-Fucosterol epoxide
(3beta,24R,24'R)-Fucosterol epoxide
ME280735
-
C03910
3.634025002
428.3656909
PE(34:1)
PE 34:1
ME280749
-
-
3.634917632
717.529556
PE(P-36:2)
PE P-36:2
ME280766
-
C00350
3.639025643
727.5523822
PE(36:4)
PE 36:4
ME280765
-
-
3.643959305
739.5140045
PE(34:3)
PE 34:3
ME280748
-
-
3.644421798
713.4994153
PC(40:6)
PC 40:6
ME280792
-
-
3.646025007
833.5932942
PC(38:4)
PC 38:4
ME280787
-
-
3.648687177
809.5929266
PC(40:7)
PC 40:7
ME280791
-
-
3.655266028
831.5775611
PC(36:1)
PC 36:1
ME280780
-
-
3.661457248
787.607986
PC(38:5)
PC 38:5
ME280786
-
-
3.665030142
807.5776985
PE(38:1)
PE 38:1
ME280777
-
-
3.676053527
773.5931547
PC(36:2)
PC 36:2
ME280779
-
-
3.676178943
785.5931563
PE(36:5)
PE 36:5
ME280763
-
-
3.67667339
737.4991236
PC(38:6)
PC 38:6
ME280785
-
-
3.678735258
805.5622979
Nebrosteroid M
Nebrosteroid M
ME280736
-
-
3.682334933
446.3759822
PC(34:1)
PC 34:1
ME280772
-
-
3.697762275
759.5773111
PC(32:0)
PC 32:0
ME280760
-
-
3.70471699
733.5624372
PC(34:2)
PC 34:2
ME280769
-
-
3.712195913
757.56204
PC(32:1)
PC 32:1
ME280759
-
C00157
3.724998718
731.5462861
PC(30:0)
PC 30:0
ME280745
-
-
3.74532949
705.5303563
SM(d42:2)
SM 42:2;O2
ME280790
-
C00550
3.7604286
812.6780334
SM(d44:2)
SM 44:2;O2
ME280793
-
-
3.767903915
840.7083897
SM(d41:1)
SM 41:1;O2
ME280789
-
-
3.795685328
800.6763804
SM(d40:2)
SM 40:2;O2
ME280783
-
-
3.800557053
784.6473428
SM(d41:2)
SM 41:2;O2
ME280788
-
-
3.803281095
798.6623685
SM(d40:1)
SM 40:1;O2
ME280784
-
C00550
3.803845845
786.6622035
DG(38:6)
DG 38:6
ME280762
-
-
3.827691495
640.5066147
Tributyl phosphate
Tributyl phosphate
ME280666
-
C14439
3.832989928
266.164639
Pipericine
NAPipericine
ME280714
-
-
3.848536953
335.31941
SM(d38:2)
SM 38:2;O2
ME280778
-
-
3.882201933
756.6140181
[FA (18:1)] 9Z-octadecenamide
Oleamide
ME280701
-
-
3.886438238
281.2719181
alpha-Methylstyrene
-
ME280883
-
C14395
3.891808033
118.0782152
FA (16:2)
Hexadecadienoic acid
ME280687
-
-
3.894719355
252.2088309
Cumene
Isopropylbenzene
ME280885
-
C14396
3.89596697
120.093867
Pentylbenzene
-
ME280636
-
-
3.89992083
148.1252335
3,5,7-Trimethyl-2E,4E,6E,8E-undecatetraene
-
ME280672
-
-
3.903427272
190.172152
FA (14:2) tetradecadienal
-
ME280674
-
-
3.903926898
208.1827314
1-Methyl-1,3-cyclohexadiene
1-Methyl-1,3-cyclohexadiene
ME280850
-
-
3.906664157
94.0782018
4,8-Dimethyl-1,3E,7-nonatriene
-
ME280637
-
-
3.915038143
150.1408643
(1R,4S)-fenchan-2-one
-
ME280609
-
-
3.91677357
152.1200929
SM(d36:1)
SM 36:1;O2
ME280768
-
C00550
3.920928847
730.5996098
SM(d36:2)
SM 36:2;O2
ME280767
-
-
3.92988557
728.584213
Lauroyl diethanolamide
Lauroyl diethanolamide
ME280691
-
-
3.93113713
287.2460184
Linoleamide
Linoleamide
ME280699
-
-
3.932650867
279.2563332
SM(d35:1)
SM 35:1;O2
ME280761
-
-
3.954358663
716.5826639
SM(d34:2)
SM 34:2;O2
ME280750
-
-
3.958245517
700.5518457
SM(d34:1)
SM 34:1;O2
ME280751
-
-
3.967703785
702.5676189
SM(d32:1)
SM 32:1;O2
ME280744
-
-
3.987641677
674.5360928
Cantleyine
Cantleyine
ME280632
-
C09933
4.012788797
207.0895913
SM(d33:1)
SM 33:1;O2
ME280746
-
-
4.013384287
688.5525019
Undecanoylcholine
Undecanoylcholine
ME280690
-
-
4.031165217
271.2511629
[SP] Sphing-4-enine
Sphingosine
ME280704
-
C00319
4.107410408
299.2824453
5-[2H-Pyrrol-4-(3H)-ylidenemethyl]-2-furanmethanol
-
ME280599
-
-
4.163692313
177.0790205
Stearoylcarnitine
CAR 18:0
ME280726
-
-
4.164296473
427.3662307
Trimethyl-2-propenylpyrazine
Trimethyl-2-propenylpyrazine
ME280603
-
-
4.170739175
162.1156827
Oleoylcarnitine
CAR 18:1
ME280725
-
-
4.175237255
425.350591
O-9Z,12Z-Hexadecadienoyl-R-carnitine
-
ME280724
-
-
4.196686613
423.3350601
LysoPE(20:4)
LPE 20:4
ME280723
-
-
4.199879092
501.2850579
Heptadecanoylcarnitine
CAR 17:0
ME280719
-
-
4.20453922
413.3504383
LysoPC(18:0)
LPC 18:0
ME280731
-
C04230
4.207343487
523.3644213
p-Lactophenetide
-
ME280634
-
C14262
4.216135638
209.105157
LysoPC(18:1)
LPC 18:1
ME280730
-
-
4.21765033
521.3485815
LysoPE(P-20:0)
LPE P-20:0
ME280727
-
-
4.224774838
493.3534442
PE(38:2)
PE 38:2
ME280776
-
-
4.225509623
771.576818
O-Palmitoyl-R-carnitine
CAR 16:0
ME280754
-
C02990
4.24679149
399.3348105
PC(18:2)
PC 18:2
ME280729
-
-
4.247176612
519.3323171
LysoPC(O-18:0)
LPC O-18:0
ME280732
-
C04317
4.25056075
509.3850018
LysoPC(O-16:1)
LPC O-16:1
ME280720
-
-
4.260597393
479.3378783
Dihydroferuloylglycine
-
ME280652
-
-
4.299681708
253.094958
Ginkgotoxin
Ginkgotoxin
ME280887
-
-
4.30153393
183.0896128
LysoPC(16:0)
LPC 16:0
ME280721
-
C04230
4.310090832
495.3331388
LysoPE(18:1)
LPE 18:1
ME280717
-
-
4.323769273
465.3222088
[LysoPC(16:2)] 1-hexadecyl-sn-glycero-3-phosphocho...
LPC O-16:0
ME280722
-
C13903
4.344420918
481.353021
PC(14:1)
PC 14:1
ME280715
-
-
4.367521837
451.3065261
3-Oxohexobarbital
3-Oxohexobarbital
ME280650
-
C02517
4.384061128
250.0953179
LysoPE(O-18:0)
LPE O-18:0
ME280718
-
-
4.426557165
467.3370005
Damascenine
Damascenine
ME280602
-
C10588
4.44490345
195.0895092
5-Nitro-2-(3-phenylpropylamino)benzoic acid
NPPB
ME280681
-
C13705
4.474715698
300.1108482
[FA oxo(6:0)] N-(3-oxo-hexanoyl)-homoserine lacton...
N-(3-Oxo-hexanoyl)-homoserine lactone
ME280606
-
C11839
4.51480294
213.1002795
Methocarbamol
Methocarbamol
ME280635
-
-
4.762949665
241.0949627
N-Methylpelletierine
Methylisopelletierine
ME280899
-
C06184
4.797838233
155.1310178
Leu-Val
Leu-Val
ME280647
-
-
4.820621258
230.1629924
N-(3-oxohexanoyl)-L-homoserine
-
ME280616
-
-
4.825004578
231.1107265
(S)-3-[(Cyanophenylmethyl)amino]-3-oxopropanoic ac...
-
ME280629
-
-
4.843271198
218.0692109
Pseudopelletierine
psi-Pelletierine
ME280895
-
C10865
4.875170977
153.1153762
[FA oxo(8:1)] 5-oxo-7-octenoic acid
5-Oxo-7-octenoic acid
ME280864
-
-
4.877362293
156.0785407
1,8-Diazacyclotetradecane-2,9-dione
1,8-Diazacyclotetradecane-2,9-dione
ME280916
-
C04277
4.877822727
226.1679322
N-Butyryl-L-homoserine lactone
N-Butyryl-L-homoserine lactone
ME280866
-
C11837
4.900452623
171.089625
indole-3-acetonitrile oxide
-
ME280626
-
-
5.18769521
172.0637266
N-Acetylmethionine
N-Acetylmethionine
ME280854
-
C02712
5.258838318
191.06155
3-Aminobenzenesulfonate
-
ME280845
-
C06334
5.30494314
173.0147362
5'-methylthioformycin
-
ME280633
-
-
5.579188175
297.089571
5-Hydroxyconiferaldehyde
5-Hydroxyconiferaldehyde
ME280712
-
C12204
6.705094542
194.0580185
2-chlorohexadecanol
2-Chlorohexadecanol
ME280689
-
-
6.930031313
276.222169
4-Hexyl-2,5-dimethyloxazole
4-Hexyl-2,5-dimethyloxazole
ME280640
-
-
6.993714633
181.1466393
N-Methyl-2-pyrrolidinone
2-Pyrrolidinone
ME280818
-
C11118
7.019989952
99.06833433
Phenolsulfonphthalein
Phenolsulfonphthalein
ME280706
-
C12600
7.037705788
354.0561152
N-(3-acetamidopropyl)-4-aminobutanal
N-(3-Acetamidopropyl)-4-aminobutanal
ME280904
-
-
7.043112103
186.1367796
3-Indoleacetaldoxime
-
ME280710
-
C02937
7.050318157
174.079312
Picolinamide
Picolinamide
ME280843
-
C01950
7.075118967
122.0479993
3-nitro-2-pentanol
-
ME280806
-
-
7.076010562
133.0739004
Agaritinal
Agaritinal
ME280651
-
-
7.082916272
265.106043
Dicyclohexyl disulfide
Dicyclohexyl disulfide
ME280661
-
-
7.085828435
230.1165529
[SP amino(18:0/2:0)] 2S-aminooctadecane-1,3R-diol
-
ME280705
-
-
7.086826778
301.2981999
Hexadeceylamin
-
ME280692
-
-
7.091002308
241.2769023
3-Methyleneoxindole
3-Methyleneoxindole
ME280911
-
C02796
7.097237882
145.0529174
(-)-3-Cyanomethyl-3-hydroxy-1H-indol-2(3H)-one
-
ME280627
-
-
7.109054622
188.0587936
(+)-Prosopinine
Prosopinine
ME280702
-
C10167
7.11599856
313.2617511
2-O-Methylcytosine
2-O-Methylcytosine
ME280815
-
-
7.270537637
125.0589021
1,2-Dihydroxy-5-(methylthio)pent-1-en-3-one
1,2-Dihydroxy-3-keto-5-methylthiopentene
ME280822
-
C15606
7.318699958
162.0351483
2-Methylbutyroylcarnitine
CAR 4:0;2Me
ME280662
-
-
7.344338615
245.1626058
3,3'-Thiobispropanoic acid
3,3'-Thiobispropanoic acid
ME280823
-
-
7.493321635
178.0298442
Pyridoxine
Pyridoxine
ME280888
-
C00314
7.695619877
169.0739122
Nicotinate
Nicotinic acid
ME280678
-
C00253
7.741186495
123.0320264
Ile-Cys-Phe
Ile-Cys-Phe
ME280697
-
-
7.799539107
381.1719825
Pyridoxal
Pyridoxal
ME280907
-
C00250
7.866494595
167.0582688
O-Butanoylcarnitine
CAR 4:0
ME280646
-
C02862
8.144522717
231.1470261
Hypaphorine
Lenticin
ME280671
-
C09213
8.200712458
246.1368102
A-Ketoglutaricacidoxime
alpha-Ketoglutaric acid oxime
ME280816
-
-
8.246760582
161.0324651
(S)-1-Pyrroline-5-carboxylate
1-Pyrroline-5-carboxylic acid
ME280799
-
C03912
8.344628187
113.0476055
Trp-Cys-Gly
Trp-Cys-Gly
ME280683
-
-
8.353912095
364.120123
Ile-Ser
Ile-Ser
ME280906
-
-
8.398690707
218.1265517
N-Acetylanthranilate
Methyl n-acetylanthranilate
ME280913
-
C06332
8.412263157
179.0582744
Adenosine
Adenosine
ME280597
-
C00212
8.518891485
267.0967126
Pantothenate
Pantothenic acid
ME280914
-
C00864
8.603912258
219.1106792
Met-Pro
Met-Pro
ME280618
-
-
8.624443563
246.1037167
Biotin
Biotin
ME280820
-
C00120
8.700762402
244.0879291
1-Methylhypoxanthine
1-Methylhypoxanthine
ME280844
-
-
8.76892886
150.0541516
Dethiobiotin
Dethiobiotin
ME280738
-
C01909
8.835969303
214.1315869
Triethanolamine
Triethanolamine
ME280840
-
C06771
8.86790803
149.1052724
Cys-Trp-Ser-Tyr
-
ME280728
-
-
8.887692377
557.1951986
Adenine
Adenine
ME280654
-
C00147
9.08774205
135.0545177
O-Propanoylcarnitine
CAR 3:0
ME280623
-
C03017
9.102493325
217.1313787
Sulfacetamide
Sulfacetamide
ME280861
-
-
9.171186918
214.0411791
Creatinine
Creatinine
ME280617
-
C00791
9.362823768
113.0588861
Leu-Pro
Leu-Pro
ME280643
-
-
9.387605757
228.1473225
Ala-Val-Gly-Pro
-
ME280680
-
-
9.49860367
342.1900043
N-(1-Deoxy-1-fructosyl)isoleucine
-
ME280663
-
-
9.620767897
293.1474105
L-Phenylalanine
Phenylalanine
ME280909
-
C00079
9.725704617
165.0790091
N-Acetyl-L-glutamate 5-semialdehyde
N-Acetyl-glutamate 5-semialdehyde
ME280851
-
C01250
9.779478272
173.0688163
Asp-Val-Pro-Ser
-
ME280693
-
-
9.834137257
416.1908737
Biotin amide
Biotin amide
ME280610
-
C01893
9.847877268
243.1039416
Cys-Gly-Pro
Cys-Gly-Pro
ME280612
-
-
9.85420096
275.0939318
Hypoxanthine
Hypoxanthine
ME280848
-
C00262
9.934748143
136.0385011
Analysis: HILIC NEGATIVE ION MODE
Select
Metabolite Name
RefMet Name/Standardized Name*
WorkBenchMetabolite_ID
PubChemCompound_ID
Kegg Id
Retentiontime/index
m/z ratio
N-Acetyl-D-fucosamine
N-Acetyl-D-fucosamine
ME281106
-
C15480
10.20650668
205.0949927
5-Oxoproline
Pyroglutamic acid
ME281093
-
C01879
10.40898943
129.0425998
Ala-Met-Asp-Tyr
-
ME280975
-
-
10.5561023
498.1789653
Met-Ser
Met-Ser
ME281109
-
-
10.57103974
236.0827285
HEPES
-
ME281115
-
-
10.5796764
238.0984705
2-Oxoglutaramate
2-Keto-glutaramic acid
ME281061
-
C00940
10.90490802
145.0375142
Ile-Ala-Ser
Ile-Ala-Ser
ME280934
-
-
11.08981488
289.1637221
Monoglyceride citrate
Monoglyceride citrate
ME281124
-
-
11.33254868
266.0642706
2-Hydroxyethanesulfonate
2-Hydroxyethanesulfonate
ME280998
-
C05123
11.42935449
125.9987127
(S)-Dihydroorotate
4,5-Dihydroorotic acid
ME281088
-
C00337
11.52817625
158.0328034
D-Ribose
Ribose
ME281040
-
C00121
12.21486092
150.0528847
D-Glucono-1,5-lactone
Gluconolactone
ME281051
-
C00198
12.39790382
178.0478325
Thr-Ser
Thr-Ser
ME281089
-
-
12.40882091
206.0902758
2,7-Anhydro-alpha-N-acetylneuraminic acid
N-Acetyl-2,7-anhydro-alpha-neuraminic acid
ME280926
-
C04521
12.54956188
291.0953798
N-Acetyl-D-glucosaminate
N-acetyl-glucosaminic acid
ME281107
-
C01133
12.60112886
237.085003
Orotidine
Orotidine
ME280919
-
-
12.6891759
288.0594113
[FA trihydroxy(4:0)] 2,3,4-trihydroxy-butanoic aci...
Threonic acid
ME281041
-
C01620
12.78541547
136.0372622
Glycerophosphoglycerol
sn-Glycero-3-phosphoglycerol
ME281080
-
C03274
12.82836765
246.0504556
Tiotropium
Tiotropium
ME280967
-
-
12.8756732
392.0995232
Quinate
Quinic acid
ME280954
-
C00296
12.98714658
192.0634851
P-DPD
-
ME281067
-
-
13.11997149
212.0086579
D-Arabinonate
Arabinonic acid
ME281050
-
C00878
13.40715634
166.0475435
3-beta-D-Galactosyl-sn-glycerol
Galactosylglycerol
ME281056
-
C05401
13.47044105
254.1001387
4-Amino-4-deoxychorismate
4-Amino-4-deoxychorismic acid
ME280918
-
C11355
13.7651804
225.0636738
Galactinoldihydrate
Galactinol
ME280935
-
-
13.85508632
378.1372095
D-Gluconic acid
Gluconic acid
ME280942
-
C00257
13.86670492
196.0583413
Mannitol
Mannitol
ME281120
-
C00392
13.88398252
182.0790766
D-glycero-L-galacto-Octulose
-
ME281113
-
-
13.98522914
240.0845885
N-Acetyl-D-mannosaminolactone
N-Acetyl-D-mannosaminolactone
ME281102
-
C03776
14.19402082
219.07426
Kinobscurinone
Kinobscurinone
ME280958
-
C12391
14.20525704
306.0522916
Deamino-NAD+
-
ME280974
-
C00857
14.22336348
664.0928141
2-C-Methyl-D-erythritol 4-phosphate
-
ME281042
-
C11434
14.26513523
216.040015
L-Histidine
Histidine
ME280946
-
C00135
14.29473444
155.0695018
N-Nitrosoproline
N-Nitrosoproline
ME281062
-
C19485
14.32103274
144.0533204
Caffeic acid 4-O-glucuronide
Caffeic acid 4-O-glucuronide
ME280945
-
-
14.3374111
356.0743944
N-Succinyl-L-glutamate
N2-Succinylglutamate
ME281122
-
C05931
14.51103848
247.0690292
Trifluoroacetic acid
-
ME280999
-
-
14.59225632
113.9929167
Hydroxymethylphosphonate
Hydroxymethylphosphonic acid
ME281130
-
C06455
14.60905355
111.9925603
N-Acetyl-D-glucosamine 6-phosphate
N-Acetyl-glucosamine 6-phosphate
ME281110
-
C00357
14.77692118
301.0564183
2-Hydroxy-2,4-pentadienoate
2-Hydroxypenta-2,4-dienoic acid
ME281057
-
C00596
14.81067145
114.0317065
(1R*,3R*,3'S*)-1,2,3,4-Tetrahydro-1-(2-thio-3-pyrr...
-
ME280948
-
-
14.81155544
315.1045482
2-Oxobutanoate
3-Methyl pyruvic acid
ME281037
-
C00109
14.81212669
102.0316567
Thr-Ser-Ser
Thr-Ser-Ser
ME280924
-
-
14.82034418
293.1225627
(S)-2-Acetolactate
(S)-2-Acetolactate
ME281064
-
C06010
14.83598763
132.0423166
D-Galacturonate
Galacturonic acid
ME281069
-
C00333
14.89629681
194.0427257
Miraxanthin-I
Miraxanthin-I
ME280938
-
C08554
14.94794628
358.0837031
sn-Glycerol 3-phosphate
sn-Glycero-3-phosphate
ME281077
-
C00093
15.04351688
172.0137169
2(alpha-D-Mannosyl)-D-glycerate
2-(alpha-D-mannosyl)-D-glyceric acid
ME281127
-
C11544
15.08841222
268.0795023
CMP-2-aminoethylphosphonate
CMPciliatine
ME280927
-
C05673
15.10679807
430.0655556
L-Aspartate
Aspartic acid
ME281079
-
C00049
15.10877726
133.0375572
D-4'-Phosphopantothenate
(R)-4'-Phosphopantothenic acid
ME281128
-
C03492
15.26751054
299.0770704
UDP-N-acetyl-D-glucosamine
UDP-N-acetylglucosamine
ME280920
-
C00043
15.29590065
607.0810222
Taurine
Taurine
ME280923
-
C00245
15.33335974
125.0147413
D-Mannitol 1-phosphate
Mannitol 1-phosphate
ME281053
-
C00644
15.38034965
262.0452683
sn-glycero-3-Phosphoethanolamine
sn-Glycero-3-phosphoethanolamine
ME281055
-
C01233
15.42705905
215.0559391
IMP
IMP
ME281065
-
C00130
15.46557731
348.0472419
(R)-2-Hydroxyglutarate
2-Hydroxyglutaric acid
ME281047
-
C01087
15.65967702
148.0372185
D-Ribose 5-phosphate
Ribose 5-phosphate
ME280925
-
C00117
15.83198234
230.0191905
2-Oxoglutarate
2-Oxoglutaric acid
ME281092
-
C00026
16.24395411
146.0216053
CDP-ethanolamine
CDP-Ethanolamine
ME280928
-
C00570
16.26954199
446.060449
D-Sedoheptulose 7-phosphate
D-Sedoheptulose 7-phosphate
ME281054
-
C05382
16.38744613
290.0404075
(S)-Malate
Malic acid
ME281078
-
C00149
16.5937741
134.0216218
Ala-Asp
Ala-Asp
ME281085
-
-
16.60948524
204.0747158
Sulfate
-
ME281131
-
C00059
16.63603664
97.96742571
UDP-glucose
UDP-glucose
ME281011
-
C00029
16.69042107
566.0554192
Pyrophosphate
Pyrophosphate
ME281060
-
C00013
16.87499617
177.943291
Asp-Gly
Asp-Gly
ME281068
-
-
16.93024993
190.0591158
D-Glucose 6-phosphate
Glucose 6-phosphate
ME281116
-
C00092
17.044391
260.0296861
D-Fructose
Fructose
ME281108
-
C00095
17.15150872
180.0634858
N-Carbamoyl-L-aspartate
Carbamoylaspartate
ME281043
-
C00438
17.321705
176.0433834
3-Phospho-D-glycerate
3-Phosphoglyceric acid
ME281076
-
C00197
17.3869168
185.9929384
Phosphoenolpyruvate
Phosphoenolpyruvic acid
ME281071
-
C00074
18.10339407
167.9824681
D-Fructose 1,6-bisphosphate
Fructose 1,6-bisphosphate
ME281052
-
C00354
18.34294637
339.9963625
Met-Cys-Cys
Met-Cys-Cys
ME280929
-
-
18.6192949
355.0687217
cis-Aconitate
cis-Aconitic acid
ME281081
-
C00417
18.62176443
174.0164813
Citrate
Citric acid
ME281121
-
C00158
18.826543
192.0270997
Orthophosphate
Phosphoric acid
ME281059
-
C00009
18.96005747
97.97685522
meso-Tartaric acid
Meso-tartaric acid
ME281039
-
C00552
19.81430752
150.0165047
Ile-Lys-Gln-Tyr
-
ME280991
-
-
27.85897985
550.3123679
Arg-Lys-Pro-His
-
ME280981
-
-
28.31865227
536.3188866
PG(38:5)
PG 38:5
ME281027
-
-
3.42016603
796.5254165
PG(36:2)
PG 36:2
ME281020
-
-
3.420428863
774.54213
PG(36:1)
PG 36:1
ME281022
-
-
3.422270208
776.5564168
PG(40:5)
PG 40:5
ME281033
-
-
3.425313148
824.5566511
PG(34:1)
PG 34:1
ME281013
-
-
3.426794248
748.5254997
PA(O-38:5)
PA O-38:5
ME281014
-
-
3.455490068
708.5091762
PA(36:2)
PA 36:2
ME281006
-
C00416
3.469388795
700.5041221
PA(36:3)
PA 36:3
ME281005
-
-
3.470508987
698.4887012
PS(40:4)
PS 40:4
ME281034
-
-
3.475072773
839.5682005
PS(40:5)
PS 40:5
ME281032
-
-
3.478070528
837.5525727
PS(38:4)
PS 38:4
ME281028
-
-
3.481935272
811.5374315
PA(34:1)
PA 34:1
ME281003
-
-
3.483139102
674.4891983
PS(38:5)
PS 38:5
ME281026
-
-
3.483419893
809.5216197
PA(34:2)
PA 34:2
ME281002
-
-
3.48342404
672.4727743
PI(40:5)
PI 40:5
ME281035
-
-
3.48430835
912.5744218
tetrahydrogeranylgeranyl-bacteriopheophytin
-
ME281045
-
-
3.487896157
886.5595159
PS(36:1)
PS 36:1
ME281021
-
-
3.48848047
789.5526783
PI(36:4)
PI 36:4
ME281029
-
-
3.489101297
858.5259117
dihydrogeranylgeranyl-bacteriopheophytin
-
ME281044
-
-
3.491182685
884.543734
PS(36:3)
PS 36:3
ME281018
-
-
3.491785915
785.5219576
PS(36:2)
PS 36:2
ME281019
-
-
3.492650972
787.5376965
PS(38:6)
PS 38:6
ME281025
-
-
3.495082073
807.5052903
PI(36:3)
PI 36:3
ME281030
-
-
3.495089757
860.5409644
PS(36:4)
PS 36:4
ME281017
-
-
3.49624136
783.506109
PI(36:2)
PI 36:2
ME281031
-
-
3.499820832
862.5587927
PA(36:4)
PA 36:4
ME281004
-
-
3.500761908
696.4731141
2-Dodecylbenzenesulfonic acid
2-Dodecylbenzenesulfonic acid
ME280962
-
-
3.544022395
326.1916444
N-Undecylbenzenesulfonic acid
N-Undecylbenzenesulfonic acid
ME280955
-
-
3.562765542
312.176039
sodium dodecyl sulfate
-
ME280936
-
-
3.568883343
266.154901
FA (20:0)
Arachidic acid
ME280973
-
C06425
3.591901138
312.3029358
Margaroyl-EA
Margaroyl-EA
ME280969
-
-
3.599080668
313.2974958
Docosahexaenoicacid
Docosahexaenoic acid
ME280977
-
C06429
3.605244667
328.2405257
FA methyl(18:0)
-
ME280968
-
-
3.607352882
298.287386
[FA (22:5)] 7Z,10Z,13Z,16Z,19Z-docosapentaenoic ac...
DPA
ME280978
-
C16513
3.608269183
330.2563055
PE(38:4)
PE 38:4
ME281024
-
C00350
3.611234893
767.5460576
PE(38:5)
PE 38:5
ME281023
-
-
3.615175792
765.5306722
PE(36:1)
PE 36:1
ME281016
-
-
3.618083645
745.5608097
Icosatrienoic acid
ETrE(11Z,14Z,17Z)
ME280971
-
C16522
3.620448402
306.2562054
FA (20:4)
Arachidonic acid
ME280970
-
C00219
3.62079309
304.2404062
Octadecanoic acid
Stearic acid
ME281070
-
C01530
3.622658903
284.2715072
Cer(d36:1)
Cer 36:1;O2
ME281001
-
-
3.623985958
565.5434462
[PG (18:0)] 1-octadecanoyl-sn-glycero-3-phospho-(1...
-
ME280990
-
-
3.633561853
512.3108899
[FA (18:1)] 9Z-octadecenoic acid
Oleic acid
ME280922
-
C00712
3.637127878
282.2557959
[PR] Abietic acid
Abietic acid
ME281012
-
C06087
3.643871388
302.2246807
FA (17:0)
Margaric acid
ME280957
-
-
3.647645407
270.2557258
PE(36:2)
PE 36:2
ME281015
-
C00350
3.650862493
743.5468473
Linoleate
Linoleic acid
ME280921
-
C01595
3.65261925
280.2401817
[PG (18:1)] 1-(9E-octadecenoyl)-sn-glycero-3-phosp...
-
ME280988
-
-
3.657599065
510.2953922
FA methyl(16:1)
-
ME280956
-
-
3.669777872
268.2401251
[FA (18:3)] 9Z,12Z,15Z-octadecatrienoic acid
alpha-Linolenic acid
ME280961
-
C06427
3.67131787
278.2245275
FA(16:0)
Palmitic acid
ME280952
-
C00249
3.672998573
256.2400938
Atovaquone
Atovaquone
ME280976
-
C06835
3.677378337
366.1024243
FA(16:1)
Hexadecenoic acid
ME280949
-
C08362
3.691501425
254.2245272
[PG (16:0)] 1-hexadecanoyl-sn-glycero-3-phospho-(1...
-
ME280979
-
-
3.691935897
484.2798831
PE(34:2)
PE 34:2
ME281007
-
-
3.697152892
715.515062
FA hydroxy(18:0)
-
ME280965
-
-
3.699570408
300.2665998
FA methyl(14:0)
-
ME280947
-
C16665
3.700142232
242.2245761
FA oxo(18:0)
-
ME280963
-
-
3.721832192
298.251057
[PC acetyl(18:2)] 1-(9Z,12Z-octadecadienoyl)-2-ace...
-
ME280997
-
-
3.746548287
561.3432375
Phytuberin
Phytuberin
ME280953
-
C09709
3.794456323
294.1831076
FA oxo(16:0)
-
ME280950
-
-
3.826309192
270.2194342
alpha,alpha'-Diethyl-4,4'-bis(2-propynyloxy)stilbe...
-
ME280984
-
C15066
3.841932047
344.177879
xi-8-Hydroxyhexadecanedioic acid
xi-8-Hydroxyhexadecanedioic acid
ME280951
-
-
3.859301417
302.2095371
13-14-DihydroPGF-1a
-
ME280972
-
-
3.872311125
358.2719631
alpha-Irone
alpha-Irone
ME280940
-
C09690
3.90103102
206.1670138
[FA (6:0)] hexanal
Caproaldehyde
ME281072
-
C02373
3.907058652
100.0887545
FA hydroxy(18:1)]
-
ME280964
-
-
3.908817568
314.2457903
3-Oxododecanoic acid
3-Oxododecanoic acid
ME280933
-
C02367
3.90923016
214.1569059
2-Decaprenyl-3-methyl-6-methoxy-1-4-benzoquinone
-
ME281046
-
-
3.927183645
848.6666759
FA (8:1) octenal
-
ME281103
-
-
3.927288573
126.1044465
PS(18:0)
PS 18:0
ME280989
-
-
3.930096778
525.3069563
[PS(18:1)] 1-(9Z-octadecenoyl)-sn-glycero-3-phosph...
-
ME280987
-
-
3.94798921
523.2909313
FA methyl(15:0) tridecanedioic acid
Tridecanedioic acid
ME280943
-
-
3.956334252
258.1830219
Furfural diethyl acetal
-
ME281123
-
C14280
3.960377075
170.0943945
(-)-Jasmonic acid
Jasmonic acid
ME281008
-
C08491
3.997185922
210.1256215
LysoPE(22:4)
LPE 22:4
ME280995
-
-
4.117546082
529.3160997
Tyr-Tyr
Tyr-Tyr
ME280960
-
-
4.191100638
344.137335
FA (8:0) octanoic acid
Caprylic acid
ME281125
-
C06423
4.200034767
144.1150239
FA hydroxy(9:0) hydroxy-nonanoic acid
-
ME281129
-
-
4.203311793
174.1255486
LysoPE(18:0)
LPE 18:0
ME280983
-
-
4.233794858
481.3162658
para-Trifluoromethylphenol
Para-Trifluoromethylphenol
ME281094
-
-
4.268796667
162.0292483
LysoPE(18:2)
LPE 18:2
ME280982
-
-
4.273420292
477.2852035
FA (8:1)
Octenoic acid
ME281104
-
-
4.278770403
142.0994206
Chenodeoxyglycocholate
Glycochenodeoxycholic acid
ME280992
-
C05462
4.339153285
449.3144813
Sambutoxin
-
ME280996
-
-
4.342884957
453.2886902
Benzyl sulfate
Benzyl sulfate
ME281097
-
-
4.438113433
188.0142898
FA methyl(6:0)
-
ME281090
-
-
4.46029941
130.0993725
9-Oxononanoic acid
9-Oxo-nonanoic acid
ME281126
-
C16322
4.503734475
172.1099744
FA hydroxy(7:0)
-
ME281091
-
-
4.59722013
146.0942715
Indole-3-acetaldehyde
Indoleacetaldehyde
ME281066
-
C00637
4.603569055
159.0683904
L-Cladinose
L-Cladinose
ME281112
-
C11917
4.607420387
176.1048771
2-Methyl-4-propyl-1,3-oxathiane
2-Methyl-4-propyl-1,3-oxathiane
ME281114
-
-
4.637072793
160.0920029
3-Methyldioxyindole
3-Methyldioxyindole
ME281058
-
C05834
4.730049993
163.0633376
Hexanoic acid
Caproic acid
ME281063
-
C01585
4.778418688
116.0837095
3a-7b-12a-Trihydroxyoxocholanyl-Glycine
-
ME280993
-
-
4.785391347
465.3087075
Dihydro-4,4-dimethyl-2,3-Furandione
2-Dehydropantolactone
ME281082
-
C01125
4.86581721
128.0473543
7E,9E,11-Dodecatrienyl acetate
7E,9E,11-Dodecatrienyl acetate
ME280941
-
-
6.665376158
222.16198
Tetradecanoic acid
Myristic acid
ME281009
-
C06424
6.783891673
228.208843
Ursodiol
Ursodeoxycholic acid
ME280985
-
C07880
6.806530192
392.2918921
2-Octenedioicacid
2-Octenedioic acid
ME281100
-
-
6.858602878
172.0735516
Arecoline
Arecoline
ME281101
-
C10129
6.86306611
155.0946226
1,8-Diazacyclotetradecane-2,9-dione
1,8-Diazacyclotetradecane-2,9-dione
ME280932
-
C04277
6.945939347
226.1680124
FA oxo(8:0) oxo-octanoic acid
-
ME281105
-
-
6.952597695
158.094304
FA hydroxy(8:0) hydroxy-octanoic acid
Hydroxyoctanoic acid
ME281111
-
-
6.990776403
160.1099219
Secobarbital
Secobarbital
ME280931
-
-
6.993660613
238.1316758
2-Isopropylmaleate
Isopropylmaleate
ME281083
-
C02631
6.99748101
158.0578802
N-Nonanoylglycine
N-Nonanoylglycine
ME280930
-
-
7.011132068
215.1521847
2-Hydroxy-1,3-dimethoxy-8,9-methylenedioxycoumesta...
2-Hydroxy-1,3-dimethoxy-8,9-methylenedioxycoumestan
ME280959
-
-
7.041133347
356.0533284
3-Methylbutanoic acid
Isovaleric acid
ME281048
-
C08262
7.04504712
102.0680097
Uracil
Uracil
ME281036
-
C00106
7.056838778
112.0272293
3-Amino-2-oxazolidone
-
ME281010
-
-
7.064345655
102.042857
Bile salt
-
ME280986
-
C01558
7.065349335
408.2874987
FA oxo(7:0)
-
ME281086
-
-
7.069578973
144.0786518
1-(9H-Pyrido[3,4-b]indol-1-yl)-1,4-butanediol
-
ME280944
-
-
7.070042978
256.1208299
PE(30:4)
PE 30:4
ME281000
-
-
7.076622073
655.4204213
4-Hydroxyphenylacetylglycine
Hydroxyphenylacetylglycine
ME280917
-
C05596
7.079472972
209.0688304
2-Hydroxy-6-keto-2,4-heptadienoate
2-Hydroxy-6-keto-2,4-heptadienoate
ME281096
-
C06210
7.082136637
156.0423056
[SP] Sphinganine-1-phosphate
Sphinganine 1-phosphate
ME280966
-
C01120
7.090089083
381.2645665
Thymine
Thymine
ME281087
-
C00178
7.093263642
126.042916
Ala-Leu-Trp-Ser
-
ME280980
-
-
7.104514628
475.2427765
(S)-3-Methyl-2-oxopentanoic acid
(S)-3-Methyl-2-oxopentanoic acid
ME280939
-
C00671
7.106020127
130.063004
FA methyl(14:0) dodecanedioic acid
Dodecanedioic acid
ME280937
-
-
7.117083863
244.1672956
5-Methylthio-D-ribose
5-Methylthioribose
ME281074
-
C03089
7.142849633
180.0456408
Clavulanic acid
Clavulanate
ME281119
-
C06662
7.212716287
199.0481023
5-Acetyl-2,4-dimethyloxazole
5-Acetyl-2,4-dimethyloxazole
ME281098
-
-
7.525076597
139.0633287
L-Rhamnono-1,4-lactone
L-Rhamnono-1,4-lactone
ME281049
-
C02991
7.96530742
162.052844
Pyruvate
Pyruvic acid
ME281038
-
C00022
8.56833302
88.01598698
1-thio-β-D-glucose
-
ME281075
-
-
8.655935532
196.0404944
AMCC
N-Acetyl-S-(n-methylcarbamoyl)cysteine
ME281084
-
C11490
8.69049356
220.0517125
(S)-Lactate
Lactic acid
ME281073
-
C00186
9.857931063
90.03166843
mercuriphenyl acetate
-
ME281118
-
C11151
9.925270023
338.0229052
2-Benzothiazolesulfonamide
-
ME281095
-
C14181
9.930491638
213.98699
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