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Return to study ST000414 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
4-Aminobutanoate
gamma-Aminobutyric acid
ME136679
-
C00334
15.29042238
103.0633277
Choline
Choline
ME136694
-
C00114
20.90107132
103.0996933
L-Serine
Serine
ME136683
-
C00065
15.65857428
105.042605
Brunfelsamidine
Brunfelsamidine
ME136794
-
C10133
18.88790778
109.06399
Dap
Diallyl phthalate
ME136892
-
-
15.35881976
109.0640033
(S)-1-Pyrroline-5-carboxylate
1-Pyrroline-5-carboxylic acid
ME136730
-
C03912
8.332083534
113.0476957
Creatinine
Creatinine
ME136728
-
C00791
9.694304698
113.0589299
3-Amino-2-piperidone
3-Amino-2-piperidone
ME136916
-
-
11.29419482
114.079324
Betaine
Betaine
ME136690
-
C00719
11.17185368
117.078948
L-Valine
Valine
ME136680
-
C00183
12.39417774
117.0789715
L-Threonine
Threonine
ME136717
-
C00188
14.35878821
119.0582591
Picolinamide
Picolinamide
ME136899
-
C01950
13.81074064
122.0479514
Phosphonoacetaldehyde
Phosphonoacetaldehyde
ME136819
-
C03167
14.60887989
123.9923581
2-methylhistamine
-
ME136890
-
C17928
27.80605745
125.0953821
Maltol
Maltol
ME136884
-
C11918
16.59644288
126.0316922
5,6-Dihydrothymine
Dihydrothymine
ME136699
-
C00906
14.62024706
128.0585434
4-Oxoproline
4-Oxo-proline
ME136720
-
C01877
11.37625886
129.0426103
L-Pipecolate
Pipecolic acid
ME136712
-
C00408
12.29450369
129.079002
N-Acetylputrescine
N-Acetylputrescine
ME136726
-
C02714
19.63704705
130.1106284
L-Glutamate 5-semialdehyde
L-Glutamic-gamma-semialdehyde
ME136729
-
C01165
14.29252651
131.0584096
Creatine
Creatine
ME136725
-
C00300
14.51183959
131.0694064
L-Isoleucine
Isoleucine
ME136685
-
C00407
11.22068157
131.0946285
L-Leucine
Leucine
ME136681
-
C00123
10.80621863
131.0946316
L-Asparagine
Asparagine
ME136719
-
C00152
15.1818477
132.053502
Methylenediurea
Methylenediurea
ME136800
-
C06381
15.57250356
132.0646797
L-Ornithine
Ornithine
ME136691
-
C00077
22.10206887
132.0898612
Adenine
Adenine
ME136702
-
C00147
9.529133313
135.054512
allopurinol
Allopurinol
ME136907
-
D00224
15.12578165
136.0384373
Hypoxanthine
Hypoxanthine
ME136672
-
C00262
10.09707494
136.0384915
Acetyl phosphate
Acetylphosphate
ME136810
-
C00227
16.01929545
139.9876511
Vinylacetylglycine
Vinylacetylglycine
ME136912
-
-
7.766255288
143.0582626
Stachydrine
Stachydrine
ME136796
-
C10172
10.61381618
143.094633
N-Acetylcadaverine
N-Acetylcadaverine
ME136908
-
-
10.98918619
144.1263411
[FA oxo,amino(6:0)] 3-oxo-5S-amino-hexanoic acid
(S)-5-Amino-3-oxohexanoate
ME136815
-
C03656
12.34147676
145.0739161
4-Trimethylammoniobutanoate
3-Dehydroxycarnitine
ME136693
-
C01181
13.18084564
145.1102792
L-Glutamine
Glutamine
ME136695
-
C00064
14.97367939
146.0690987
L-threo-3-Methylaspartate
-
ME136711
-
C03618
15.6462672
147.0531471
Fagomine
Fagomine
ME136906
-
C10144
16.96627284
147.0894808
N-hydroxyisoleucine
N-hydroxyisoleucine
ME136905
-
-
11.99526079
147.0895008
L-Methionine
Methionine
ME136687
-
C00073
11.48913424
149.0510874
Guanine
Guanine
ME136698
-
C00242
12.26473261
151.0494609
Homostachydrine
(S)-Homostachydrine
ME136898
-
C08283
9.947245995
157.1102221
3-Dehydrocarnitine
3-Dehydrocarnitine
ME136791
-
C02636
12.56821521
159.0895882
5-Acetamidopentanoate
5-Acetamidovaleric acid
ME136722
-
C03087
12.1354605
159.0895917
Methacholine
Methacholine
ME136795
-
C07471
13.17272482
159.1259566
N6-Methyl-L-lysine
N(6)-Methyllysine
ME136780
-
C02728
22.35680847
160.1209196
(S)-Carnitine
Carnitine
ME136799
-
C15025
11.72907706
161.1051953
L-Carnitine
Carnitine
ME136688
-
C00487
13.1266956
161.1051989
L-Methionine S-oxide
Methionine sulfoxide
ME136716
-
C02989
13.49902482
165.0460401
L-Phenylalanine
Phenylalanine
ME136682
-
C00079
10.15781914
165.079021
Pyridoxal
Pyridoxal
ME136703
-
C00250
8.027296575
167.0581376
Pyridoxine
Pyridoxine
ME136705
-
C00314
8.117472393
169.073889
Glycylproline
Gly-Pro
ME136829
-
-
12.22843107
172.0847939
5-Guanidino-2-oxopentanoate
2-Oxoarginine
ME136723
-
C03771
14.10514632
173.0801323
N5-Ethyl-L-glutamine
N(5)-Ethyl-glutamine
ME136801
-
C01047
13.35169822
174.1001464
L-Arginine
Arginine
ME136692
-
C00062
24.08009834
174.1116513
Ne,Ne dimethyllysine
N(6),N(6)-Dimethyl-lysine
ME136790
-
C05545
21.35824769
174.1367732
L-Citrulline
Citrulline
ME136686
-
C00327
15.75908327
175.0957264
N-Carbamoyl-L-aspartate
Carbamoylaspartate
ME136697
-
C00438
16.56102383
176.0432272
L-Tyrosine
Tyrosine
ME136684
-
C00082
12.90254916
181.0739881
Choline phosphate
Choline phosphate
ME136676
-
C00588
14.62109971
183.0660852
Acetylpseudotropine
-
ME136779
-
C12453
10.90594521
183.1259607
Otonecine
Otonecine
ME136897
-
C10356
11.01594518
185.1053389
Ecgonine
Ecgonine
ME136778
-
C10858
11.75169532
185.1053411
Ala-Pro
Ala-Pro
ME136747
-
-
11.30098817
186.1005065
Indoleacrylicacid
Indoleacrylic acid
ME136785
-
-
8.712156071
187.0633218
8-Amino-7-oxononanoate
8-Amino-7-oxononanoic acid
ME136706
-
C01092
11.49271215
187.1209842
N6,N6,N6-Trimethyl-L-lysine
N-6-Trimethyllysine
ME136727
-
C03793
21.64594836
188.1525053
LL-2,6-Diaminoheptanedioate
2,6-Diaminopimelic acid
ME136721
-
C00666
14.03533359
190.0952588
N5-acetyl-N5-hydroxy-L-ornithine
2,6-Diaminopimelic acid
ME136903
-
-
11.83440434
190.0952629
Thr-Ala
Thr-Ala
ME136831
-
-
12.83624432
190.0953415
2-amino-3,7-dideoxy-D-threo-hept-6-ulosonate
-
ME136787
-
-
12.1130271
191.07955
alpha-Ionone
alpha-Ionone
ME136885
-
C12286
4.486705783
192.151481
Tenuazonic acid
Tenuazonic acid
ME136895
-
C08511
4.445786976
197.1051917
Hercynine
Hercynine
ME136782
-
C05575
12.11620473
197.1164838
[FA (12:1)] 5E-dodecenoic acid
-
ME136881
-
-
4.278825771
198.1620696
Tussilagine
Tussilagine
ME136805
-
C10411
10.2212612
199.1210586
Capryloylglycine
Capryloylglycine
ME136909
-
-
11.53789472
201.1367081
NG,NG-Dimethyl-L-arginine
Dimethylarginine
ME136784
-
C03626
21.51669674
202.1431029
2-acetamidoglucal
-
ME136902
-
-
7.734437022
203.0794636
N2-Acetyl-L-aminoadipate
N-Acetyl-2-aminoadipic acid
ME136814
-
C12986
12.0678823
203.0794951
O-Acetylcarnitine
CAR 2:0
ME136781
-
C02571
10.91047893
203.1158288
N6-Acetyl-N6-hydroxy-L-lysine
N(6)-Acetyl-N(6)-hydroxy-lysine
ME136724
-
C03955
11.74463256
204.1109297
N-Acetyl-D-fucosamine
N-Acetyl-D-fucosamine
ME136911
-
C15480
11.39476942
205.0948871
Cantleyine
Cantleyine
ME136887
-
C09933
4.954581875
207.089621
N-acetyl-demethylphophinothricin
-
ME136793
-
-
14.21266356
208.0614625
[FA (14:2)] 5,8-tetradecadienal
5,8-Tetradecadienal
ME136775
-
-
4.222118279
208.1827183
Methyl 2-diazoacetamidohexonate
Methyl 2-diazoacetamidohexonate
ME136891
-
C01223
14.01044271
213.1111415
sn-glycero-3-Phosphoethanolamine
sn-Glycero-3-phosphoethanolamine
ME136710
-
C01233
15.48902607
215.0561443
O-Propanoylcarnitine
CAR 3:0
ME136882
-
C03017
9.712837146
217.1314394
L-Ala-L-Glu
-
ME136749
-
-
9.769325678
218.0900799
5-Hydroxy-L-tryptophan
5-Hydroxy-tryptophan
ME136812
-
C00643
10.73700424
220.0849434
N-Acetyl-D-mannosamine
N-Acetyl-mannosamine
ME136807
-
C00645
12.19185631
221.0899306
6-Acetyl-D-glucose
6-Acetylglucose
ME136896
-
C02655
14.05948935
222.0740976
N-acetyl -D- glucosaminitol
N-Acetyl-glucosaminitol
ME136910
-
-
13.16831782
223.1055204
Ovothiol disulfide
-
ME136783
-
-
15.62134821
228.0807031
Leu-Pro
Leu-Pro
ME136753
-
-
12.94016219
228.1473974
L-isoleucyl-L-proline
Ile-Pro
ME136803
-
-
10.01784378
228.1474801
Asn-Pro
Asn-Pro
ME136748
-
-
13.3456617
229.1062475
N-Decanoylglycine
N-Decanoylglycine
ME136888
-
-
4.629028005
229.1678831
Aspartyl-L-proline
Asp-Pro
ME136746
-
-
15.21470309
230.0904035
O-Butanoylcarnitine
CAR 4:0
ME136776
-
C02862
8.794452058
231.1472023
Lys-Ser
Lys-Ser
ME136827
-
-
16.60128977
233.1372675
Thr-Asp
Thr-Asp
ME136830
-
-
15.45718473
234.0849293
Homocarnosine
Homocarnosine
ME136718
-
C00884
14.11023878
240.1221814
Slaframine
Slaframine
ME136777
-
C06185
12.69838467
240.147421
D-myo-Inositol 1,2-cyclic phosphate
Inositol cyclic phosphate
ME136789
-
C04299
15.94663713
242.0193985
Biotin amide
Biotin amide
ME136915
-
C01893
10.41160315
243.1041713
Tiglylcarnitine
CAR 4:1;2Me
ME136786
-
-
7.754358092
243.1469089
Lys-Pro
Lys-Pro
ME136828
-
-
15.21643588
243.158365
Lys-Val
Lys-Val
ME136754
-
-
22.02878097
245.1738804
N2-(D-1-Carboxyethyl)-L-arginine
D-Octopine
ME136713
-
C04137
13.96832471
246.1328703
Hypaphorine
Lenticin
ME136798
-
C09213
8.712364796
246.1368077
Hydroxybutyrylcarnitine
CAR 4:0;OH
ME136904
-
-
11.26233682
247.1419789
Glu-Thr
Glu-Thr
ME136752
-
-
14.31234025
248.1005786
Muramic acid
Muramic acid
ME136894
-
C06470
14.21227819
251.1006019
Asp-Leu-Lys-Lys
-
ME136742
-
-
22.05270028
251.155722
sn-glycero-3-Phosphocholine
sn-Glycero-3-phosphocholine
ME136675
-
C00670
14.27829933
257.1027633
alpha-D-Glucosamine 1-phosphate
Glucosamine 1-phosphate
ME136808
-
C06156
12.03779492
259.0459063
Linatine
Linatine
ME136731
-
C05939
10.98908554
259.1171286
L-gamma-glutamyl-L-isoleucine
gamma-Glutamylisoleucine
ME136832
-
-
10.64002401
260.1376212
2-amino-2-deoxyglucitol-6-phosphate
-
ME136913
-
-
11.97017254
261.0616269
Lotaustralin
Lotaustralin
ME136792
-
C08334
12.59156316
261.1212319
Lys-Asp
Lys-Asp
ME136750
-
-
16.30585876
261.1328696
Ser-Arg
Ser-Arg
ME136744
-
-
16.75629691
261.1440083
Thiamin
Thiamine
ME136674
-
C00378
21.53891007
264.1043786
S-Ribosyl-L-homocysteine
S-Ribosylhomocysteine
ME136813
-
C03539
14.7006907
267.0779985
α-(2,6-anhydro-3-deoxy-D-arabino-heptulopyranosid...
-
ME136886
-
-
15.95552704
272.0297133
Epsilon-(gamma-Glutamyl)-lysine
Epsilon-(gamma-Glutamyl)-lysine
ME136804
-
-
11.33413095
275.1483031
Asn-Arg
Asn-Arg
ME136745
-
-
16.33998358
288.1550243
Asp-Arg
Asp-Arg
ME136751
-
-
16.33465547
289.1385995
N-(L-Arginino)succinate
Argininosuccinic acid
ME136817
-
C03406
16.52466038
290.1231768
Ile-Cys-Gly
Ile-Cys-Gly
ME136736
-
-
10.88904831
291.1252283
2-Oxooctadecanoic acid
2-Oxo-octadecanoic acid
ME136880
-
C00869
3.805764056
298.250822
[SP] Sphing-4-enine
Sphingosine
ME136707
-
C00319
4.782811997
299.2825704
Glutathione disulfide
Oxidized glutathione
ME136818
-
C00127
17.15160725
306.075975
Glutathione
Glutathione
ME136689
-
C00051
14.04745857
307.0837238
Ala-Asp-Cys
Ala-Asp-Cys
ME136733
-
-
15.44646942
307.083912
gamma-Glutamyl-Se-methylselenocysteine
gamma-Glutamyl-Se-methylselenocysteine
ME136811
-
C05695
15.97271815
312.0220308
[FA oxo(19:0)] 10-oxo-nonadecanoic acid
-
ME136879
-
-
3.802385793
312.2661543
Ala-Thr-Ala-Gly
-
ME136743
-
-
17.74552517
318.1539055
Ala-Ala-Ala-Ser
-
ME136741
-
-
15.98220268
318.1539388
6,7-Dimethyl-8-(1-D-ribityl)lumazine
6,7-Dimethyl-8-(1-D-ribityl)lumazine
ME136704
-
C04332
12.77763237
326.1225128
Lys-Thr-Ser
Lys-Thr-Ser
ME136823
-
-
15.24528965
334.1856478
Asp-Gly-Arg
Asp-Gly-Arg
ME136732
-
-
15.59074488
346.1598489
AMP
AMP
ME136673
-
C00020
13.30788041
347.0630472
Lys-Thr-Thr
Lys-Thr-Thr
ME136822
-
-
15.15917153
348.2007068
nonulose 9-phosphate
Nonulose 9-phosphate
ME136889
-
-
14.28697772
350.061595
S-(2-Hydroxyethyl)glutathione
S-(2-Hydroxyethyl)glutathione
ME136820
-
C14875
12.765869
351.1099132
Ile-Lys-Pro
Ile-Lys-Pro
ME136735
-
-
21.25810251
356.2422265
Glu-Met-Ser
Glu-Met-Ser
ME136734
-
-
11.68876403
365.1255241
[ST] (5Z,7E)-9,10-seco-5,7,10(19)-cholestatriene
3-Deoxyvitamin D3
ME136833
-
-
3.694300188
368.3443366
NADP+
NADP+
ME136678
-
C00006
16.48983955
371.5374417
Kievitone hydrate
Kievitone hydrate
ME136900
-
C02549
10.1135209
374.1370071
Asn-Lys-Gly-Gly
-
ME136825
-
-
15.47388997
374.1916358
Ala-Leu-Thr-Ala
-
ME136740
-
-
14.40496243
374.215796
Cys-Phe-Gly-Gly
-
ME136826
-
-
10.6003982
382.1311077
[ST (3:0)] cholest-5Z,7Z,24-trien-3beta-ol
7-Dehydro-desmosterol
ME136806
-
C05107
5.045785872
382.3235457
N-Acetyllactosamine
N-Acetyllactosamine
ME136802
-
C00611
13.55872519
383.1427963
S-Adenosyl-L-homocysteine
S-Adenosylhomocysteine
ME136714
-
C00021
13.38052277
384.1216143
S-Adenosyl-L-methionine
S-Adenosylmethionine
ME136696
-
C00019
16.41317304
398.1371786
[FA] O-Palmitoyl-R-carnitine
CAR 16:0
ME136708
-
C02990
4.552395923
399.3348364
UDP
UDP
ME136700
-
C00015
16.14450688
404.0023862
Myxochelin A
-
ME136883
-
C12220
4.445898213
404.1583218
Thr-Trp-Cys
Thr-Trp-Cys
ME136824
-
-
15.2291361
408.1469997
Heptadecanoylcarnitine
CAR 17:0
ME136901
-
-
4.507361133
413.350364
Asp-Val-Pro-Ser
-
ME136739
-
-
9.880293086
416.1906472
Linoelaidylcarnitine
CAR 18:2(9E,12E)
ME136917
-
-
7.639361223
423.3346502
Oleoylcarnitine
CAR 18:1
ME136914
-
-
4.471793869
425.3504338
dGDP
dGDP
ME136701
-
C00361
13.88748176
427.0288991
ADP
ADP
ME136677
-
C00008
14.65877426
427.0291868
Stearoylcarnitine
CAR 18:0
ME136797
-
-
4.446146428
427.3662102
(24R,24'R)-Fucosterol epoxide
(3beta,24R,24'R)-Fucosterol epoxide
ME136893
-
C03910
3.897225884
428.3656453
13'-hydroxy-α-tocopherol
-
ME136788
-
-
4.013110442
446.3758914
dCDP-choline
-
ME136821
-
-
14.06387373
472.1125258
[PC (16:2)] 1-hexadecyl-sn-glycero-3-phosphocholin...
LPC O-16:0
ME136763
-
C13903
4.639565782
481.3527661
Asp-Val-Asp-His
-
ME136738
-
-
15.29266268
484.1919713
CDP-choline
CDP-choline
ME136709
-
C00307
15.05854523
488.1074256
PE(P-20:0/0:0)
PE P-20:0/0:0*
ME136861
-
-
4.533162777
493.3530144
[PC (16:0)] 1-hexadecanoyl-sn-glycero-3-phosphocho...
LPC 16:0
ME136871
-
C04230
4.612176177
495.3326549
[PC (18:1)] 1-(11Z-octadecenyl)-sn-glycero-3-phosp...
LPC 18:1
ME136769
-
-
4.562729499
507.3688529
LysoPE(0:0/20:0)
LPE 0:0/20:0
ME136854
-
-
4.569158305
509.3481339
LysoPC(O-18:0)
LPC O-18:0
ME136849
-
C04317
4.564111889
509.3843011
LysoPC(18:1(9Z))
LPC 18:1(9Z)
ME136873
-
C04230
4.536263714
521.34813
LysoPC(18:0)
LPC 18:0
ME136768
-
C04230
4.513006849
523.3638921
Arg-Leu-Lys-Asp
-
ME136737
-
-
11.887012
530.317894
[SP (16:0)] N-(hexadecanoyl)-sphing-4-enine
Cer 18:1;O2/16:0
ME136838
-
C00195
3.848712235
537.512349
1-O-(1Z-Tetradecenyl)-2-(9Z-octadecenoyl)-sn-glyce...
-
ME136877
-
C13864
3.704631677
550.4956587
[PC (20:0)] 1-eicosanoyl-sn-glycero-3-phosphocholi...
-
ME136874
-
C04230
4.421319739
551.3952065
[GL methyl(15:0/8:0)] 1-(14-methyl-pentadecanoyl)-...
-
ME136878
-
-
3.605365349
602.5266581
Cer(d18:1/22:1(13Z))
Cer 18:1;O2/22:1(13Z)*
ME136839
-
-
3.83960953
619.5906542
Cer(d18:0/22:1(13Z))
Cer 18:0;O2/22:1(13Z)*
ME136834
-
-
3.847132823
621.605305
[SP (24:0)] N-(15Z-tetracosenoyl)-sphing-4-enine
Cer 18:1;O2/24:1
ME136755
-
C00195
3.841233868
647.6215783
PC(16:0/9:0(CHO))
-
ME136857
-
-
4.225025364
649.4322808
SM(d18:1/14:0)
SM 18:1;O2/14:0
ME136844
-
-
4.270615289
674.536603
SM(d16:1/17:0)
SM 16:1;O2/17:0
ME136842
-
-
4.248633214
688.5524457
PE(32:1)
PE 32:1
ME136868
-
-
3.652217329
689.4992959
PE(32:0)
PE 32:0
ME136867
-
-
3.648954877
691.515016
SM(d16:1/18:1)
SM 16:1;O2/18:1
ME136836
-
-
4.23543582
700.5522849
PE(16:0/P-18:1(11Z))
-
ME136850
-
C00350
3.977382234
701.5367599
SM(d16:1/18:0)
SM 16:1;O2/18:0
ME136761
-
-
7.519337316
702.5677971
PE(34:3)
PE 34:3
ME136855
-
-
3.639404471
713.4991145
PE(18:3(6Z,9Z,12Z)/P-18:1(11Z))
-
ME136767
-
C00350
3.903939142
723.5203925
PE(18:2(9Z,12Z)/P-18:1(11Z))
-
ME136864
-
C00350
3.947458019
725.5354404
PE(18:1(11Z)/P-18:1(11Z))
-
ME136774
-
C00350
4.004749904
727.552655
SM(d18:1/18:0)
SM 18:1;O2/18:0
ME136846
-
C00550
7.48639778
730.5988654
SM(d18:1/19:0)
SM 18:1;O2/19:0
ME136759
-
-
7.432215155
744.6137263
PE(20:4(5Z,8Z,11Z,14Z)/P-18:1(11Z))
-
ME136771
-
C00350
3.877016825
749.5358291
[PE (18:1/20:4)] 1-(1Z-octadecenyl)-2-(5Z,8Z,11Z,1...
PE O-18:2/20:4
ME136773
-
C00350
3.88793256
751.5526089
PE(20:2(11Z,14Z)/P-18:1(11Z))
-
ME136876
-
C00350
3.887419967
753.565945
SM(d18:1/20:0)
SM 18:1;O2/20:0
ME136847
-
C00550
7.421689946
758.6299652
PC(34:1)
PC 34:1
ME136764
-
-
4.114483113
759.5775189
PS(34:1)
PS 34:1
ME136863
-
-
3.693296636
761.5210047
PE(38:6)
PE 38:6
ME136858
-
-
3.881250376
763.5148133
PS(34:0)
PS 34:0
ME136852
-
-
3.65851044
763.5361242
PE(22:4(7Z,10Z,13Z,16Z)/P-18:1(11Z))
-
ME136869
-
C00350
3.856944381
777.5679919
SM(d18:2/22:1)
SM 18:2;O2/22:1
ME136845
-
-
7.358338636
782.6304933
PS(36:4)
PS 36:4
ME136765
-
-
3.681826419
783.5056691
PC(36:3)
PC 36:3
ME136770
-
-
4.272033332
783.5774717
PS(36:3)
PS 36:3
ME136851
-
-
3.668844843
785.5215127
SM(d18:0/22:1(13Z))
SM 18:0;O2/22:1(13Z)*
ME136757
-
C00550
4.518171054
786.6624987
PS(36:2)
PS 36:2
ME136862
-
-
3.682463255
787.5372232
PS(36:1)
PS 36:1
ME136870
-
-
3.686612101
789.5519924
PS(36:0)
PS 36:0
ME136848
-
-
3.604804205
791.5670036
SM(d17:1/24:1(15Z))
SM 17:1;O2/24:1(15Z)
ME136840
-
-
4.17159111
798.6621944
SM(d18:1/23:0)
SM 18:1;O2/23:0
ME136835
-
C00550
4.222511337
800.67695
PC(38:6)
PC 38:6
ME136766
-
-
3.948159184
805.5624197
PS(38:6)
PS 38:6
ME136872
-
-
3.670041447
807.5061003
PS(38:5)
PS 38:5
ME136859
-
-
3.665191982
809.5217109
PC(38:4)
PC 38:4
ME136762
-
-
4.085230516
809.5926997
SM(d18:2/24:1)
SM 18:2;O2/24:1
ME136837
-
-
4.220577998
810.6622987
PS(38:4)
PS 38:4
ME136772
-
-
3.668840713
811.536705
SM(d18:1/24:1(15Z))
SM 18:1;O2/24:1(15Z)
ME136841
-
C00550
4.218896989
812.6776632
[SP (24:0)] N-(tetracosanoyl)-sphing-4-enine-1-pho...
SM 18:1;O2/24:0
ME136756
-
-
4.224083675
814.6918498
PC(40:6)
PC 40:6
ME136856
-
-
3.908454562
833.5939256
PS(40:6)
PS 40:6
ME136866
-
-
3.655454776
835.536444
PC(40:5)
PC 40:5
ME136853
-
-
3.918248305
835.6081977
PS(40:5)
PS 40:5
ME136865
-
-
3.659278287
837.5508652
PS(40:4)
PS 40:4
ME136875
-
-
3.664764092
839.566586
3-Butynoate
3-Butynoic acid
ME136809
-
C06144
10.90862554
84.02117758
[SP (26:0)] N-(17Z-hexacosenoyl)-sphing-4-enine-1-...
SM 18:1;O2/26:1
ME136760
-
-
4.218443883
840.7085095
SM(d18:1/26:0)
SM 18:1;O2/26:0
ME136758
-
C00550
4.295401725
842.7230623
PS(42:10)
PS 42:10
ME136860
-
-
3.645623113
855.5055202
Lactosylceramide(d18
-
ME136843
-
C01290
7.623956081
861.6185407
4-Aminobutanal
4-Aminobutyraldehyde
ME136816
-
C00555
10.38292264
87.06837592
L-Alanine
Alanine
ME136715
-
C00041
14.54619338
89.04768286
Analysis: HILIC NEGATIVE ION MODE
Select
Metabolite Name
RefMet Name/Standardized Name*
WorkBenchMetabolite_ID
PubChemCompound_ID
Kegg Id
Retentiontime/index
m/z ratio
(S)-Methylmalonate semialdehyde
(S)-Methylmalonic acid semialdehyde
ME137042
-
C06002
14.48775316
102.031662
D-Glycerate
Glyceric acid
ME137019
-
C00258
11.53086883
106.026609
Monomethyl sulfate
Methyl sulfate
ME137112
-
C02704
8.076090156
111.9830315
Hydroxymethylphosphonate
Hydroxymethylphosphonic acid
ME136993
-
C06455
14.17387351
111.9925264
methylphosphate
Methanolphosphate
ME136997
-
-
13.71318294
111.992553
2-Hydroxy-2,4-pentadienoate
2-Hydroxypenta-2,4-dienoic acid
ME137041
-
C00596
14.67267676
114.0317211
L-Proline
Proline
ME136936
-
C00148
12.65639222
115.0633292
Succinate
Succinic acid
ME136958
-
C00042
14.65821806
118.0266241
Taurine
Taurine
ME136921
-
C00245
14.90910381
125.0146547
5-Oxoproline
Pyroglutamic acid
ME137037
-
C01879
9.994225207
129.0426178
4-Methyl-2-oxopentanoate
Ketoleucine
ME136965
-
C00233
4.689185116
130.0630333
2-Acetolactate
2-Acetolactate
ME137021
-
C00900
13.11155693
132.0422998
(2R,4S)-2,4-Diaminopentanoate
-
ME136994
-
C03943
15.76245392
132.0899028
L-Aspartate
Aspartic acid
ME136938
-
C00049
14.75513819
133.0375183
(S)-Malate
Malic acid
ME136930
-
C00149
15.85539972
134.0215671
N-Phenylacetamide
N-Acetylarylamine
ME137006
-
C07565
6.223816928
135.0684313
2-Phenylacetamide
2-Phenylacetamide
ME137040
-
C02505
7.241175061
135.0684403
[FA trihydroxy(4:0)] 2,3,4-trihydroxy-butanoic aci...
Threonic acid
ME136991
-
C01620
12.07937793
136.0372527
Anthranilate
2-Aminobenzoic acid
ME137043
-
C00108
6.040604339
137.0476698
2,3,5-Trihydroxytoluene
2,3,5-Trihydroxytoluene
ME137107
-
C03338
12.77612467
140.0473471
(2E)-2-ethylidene-4-hydroxy-5-methyl-3(2H)-furanon...
-
ME137007
-
-
16.95159486
140.0473525
Gentisyl alcohol
Gentisyl alcohol
ME137119
-
C10792
11.72787851
140.0473543
2-Aminomuconate semialdehyde
-
ME137030
-
C03824
7.737937173
141.0426073
3-Methyleneoxindole
3-Methyleneoxindole
ME137118
-
C02796
7.702899084
145.0527211
2-Oxoglutarate
2-Oxoglutaric acid
ME136927
-
C00026
15.38828527
146.0215712
(R)-3-Hydroxy-3-methyl-2-oxopentanoate
-
ME137038
-
C14463
12.97473961
146.0579071
L-Lysine
Lysine
ME136937
-
C00047
22.86762762
146.1055418
meso-Tartaric acid
Meso-tartaric acid
ME137024
-
C00552
17.03843988
150.0165803
L-Arabinose
Lyxose
ME137028
-
C00259
14.43193014
150.0527644
D-Ribose
Ribose
ME136960
-
C00121
11.59348225
150.0529176
Phenylpropanoate
Hydrocinnamic acid
ME137035
-
C05629
4.682728941
150.0680696
3-sulfopropanoate
-
ME136999
-
-
15.9937908
153.9936668
Orotate
Orotic acid
ME136943
-
C00295
9.912273014
156.017097
(S)-Dihydroorotate
4,5-Dihydroorotic acid
ME136942
-
C00337
10.83474084
158.0326874
Dihydro-3-hydroxy-3-(1-hydroxyethyl)-4-methylfuran...
-
ME137094
-
-
4.737151856
160.0735573
3-Ethylmalate
-
ME137025
-
C01989
12.79899296
162.0529148
D-Xylonate
Xylonic acid
ME136992
-
C00502
12.90327709
166.0477715
3-Phosphonopyruvate
-
ME136966
-
C02798
15.92140244
167.9823474
Phosphoenolpyruvate
Phosphoenolpyruvic acid
ME136934
-
C00074
17.41826604
167.9823523
L-Cysteate
Cysteic acid
ME136940
-
C00506
15.42795597
169.0046134
3-Sulfolactate
3-Sulfolactic acid
ME136971
-
C16069
17.4980099
169.9885802
Glycerone phosphate
Dihydroxyacetone phosphate
ME136935
-
C00111
15.24493942
169.9980116
Furfural diethyl acetal
-
ME137102
-
C14280
4.491304951
170.0940596
2,3,4,5-Tetrahydrodipicolinate
-
ME137031
-
C03972
7.698416061
171.0531352
sn-glycerol-1-phosphate
-
ME137108
-
C00623
14.31531145
172.013579
sn-Glycerol 3-phosphate
sn-Glycero-3-phosphate
ME136920
-
C00093
14.67456012
172.0136361
L-Dehydroascorbate
L-Dehydroascorbic acid
ME137022
-
C05422
17.7435892
174.0164355
(2S)-2-Isopropyl-3-oxosuccinate
2-Isopropyl-3-oxosuccinate
ME137034
-
C04236
7.683368942
174.0526224
2-Dehydro-3-deoxy-D-gluconate
Gluconolactone
ME136964
-
C00204
12.27698097
178.0477312
L-Galactono-1,4-lactone
L-Galactono-1,4-lactone
ME136962
-
C01115
11.67883877
178.0477347
3-Succinoylpyridine
3-Succinoylpyridine
ME137121
-
-
5.874698742
179.0581917
N-Acetylanthranilate
Methyl n-acetylanthranilate
ME137115
-
C06332
7.397439567
179.0582006
D-Galactosamine
Galactosamine
ME137023
-
C02262
11.17927079
179.0793396
D-Glucose
Glucose
ME136931
-
C00221
14.53641962
180.0633893
myo-Inositol
Myo-inositol
ME136925
-
C00137
16.95614062
180.0634328
3-Amino-3-(4-hydroxyphenyl)propanoate
beta-Tyrosine
ME137033
-
C04368
7.687389576
181.0739193
Mannitol
Mannitol
ME136928
-
C00392
13.88241292
182.0790407
Asp-Gly
Asp-Gly
ME136973
-
-
16.37482563
190.0590289
Citrate
Citric acid
ME136932
-
C00158
17.9266279
192.0270772
Quinate
Quinic acid
ME136968
-
C00296
12.31544331
192.0634582
Ser-Ser
Ser-Ser
ME137045
-
-
13.00225455
192.074515
D-Tagaturonate
-
ME137029
-
C00558
14.30650932
194.0426618
1-thio-β-D-glucose
-
ME136996
-
-
8.164313713
196.0405242
N-Hydroxy-L-tyrosine
N-Hydroxy-tyrosine
ME137100
-
C03004
10.22612575
197.0687311
Diethyl 2-methyl-3-oxosuccinate
4-Heptenal diethyl acetal
ME137103
-
C04067
4.735007879
202.0842097
L-beta-aspartyl-L-alanine
beta-Aspartylalanine
ME136976
-
-
15.74145096
204.0746205
4-Hydroxyphenylacetylglycine
Hydroxyphenylacetylglycine
ME136967
-
C05596
7.690961116
209.0688197
(-)-Jasmonic acid
Jasmonic acid
ME137010
-
C08491
4.246770526
210.1255187
P-DPD
-
ME137123
-
-
14.89131308
212.0085907
phosphinomethylisomalate
-
ME137110
-
-
12.44704105
212.0086658
2-Benzothiazolesulfonamide
-
ME136998
-
C14181
10.10747097
213.9867851
[FA (13:0)] tridecanoic acid
Tridecylic acid
ME137090
-
C13795
3.898403075
214.1932531
cis-(homo)3aconitate
-
ME137047
-
-
13.34231159
216.063449
O-Succinyl-L-homoserine
o-Succinylhomoserine
ME137036
-
C01118
13.09009639
219.0742715
Pantothenate
Pantothenic acid
ME136939
-
C00864
5.518498077
219.1105891
7E,9E,11-Dodecatrienyl acetate
7E,9E,11-Dodecatrienyl acetate
ME137088
-
-
3.9335532
222.1619545
4-Amino-4-deoxychorismate
4-Amino-4-deoxychorismic acid
ME136945
-
C11355
12.94529869
225.063732
(9Z)-Tetradecenoic acid
Myristoleic acid
ME137089
-
C08322
3.880506021
226.1930436
Traumatic acid
Traumatic acid
ME136948
-
C16308
4.65057861
228.1362803
[FA dioxo(12:0)] 9,12-dioxo-dodecanoic acid
9,12-Dioxo-dodecanoic acid
ME136989
-
-
7.691393784
228.136465
2-6-10-Trimethylundecanoicacid
-
ME137001
-
-
7.546764389
228.2089464
Tetradecanoic acid
Myristic acid
ME136951
-
C06424
3.85008748
228.2089506
D-Ribose 5-phosphate
Ribose 5-phosphate
ME136926
-
C00117
15.43993752
230.0189895
N-Acetyl-D-glucosaminate
N-acetyl-glucosaminic acid
ME137003
-
C01133
12.70072713
237.0849633
N-Glycolyl-D-glucosamine
N-Glycolyl-D-glucosamine
ME137005
-
C03146
12.09432297
237.0849773
L-Cystine
Cystine
ME136969
-
C00491
16.10169563
240.0239208
3-carboxy-4-methyl-5-propyl-2-furanpropanoic acid
3-Carboxy-4-methyl-5-propyl-2-furanpropanoic acid
ME137093
-
-
4.569760124
240.0998926
[FA dimethyl(13:0)] 2,5-dimethyl-2E-tridecenoic ac...
-
ME137087
-
-
3.825263093
240.208792
D-myo-Inositol 1,2-cyclic phosphate
Inositol cyclic phosphate
ME137116
-
C04299
16.69071812
242.0194885
2-isocapryloyl-3R-hydroxymethyl-γ-butyrolactone
-
ME137105
-
-
4.208827643
242.1517739
Pentadecanoic acid
Pentadecylic acid
ME137092
-
C16537
3.831371006
242.2246555
Glycerophosphoglycerol
sn-Glycero-3-phosphoglycerol
ME137106
-
C03274
12.38160555
246.0506013
N-Succinyl-L-glutamate
N2-Succinylglutamate
ME137032
-
C05931
13.90369235
247.0689983
L-beta-aspartyl-L-asparticacid
-
ME136977
-
-
17.21717894
248.0644348
3-beta-D-Galactosyl-sn-glycerol
Galactosylglycerol
ME136959
-
C05401
13.61019618
254.1001768
(9Z)-Hexadecenoic acid
Palmitoleic acid
ME137017
-
C08362
3.816684566
254.2246331
N-D-Glucosylarylamine
N-D-Glucosylarylamine
ME137122
-
C03142
7.641858485
255.1106383
ancymidol
Ancymidol
ME137000
-
-
4.573759061
256.1212398
Hexadecanoic acid
Palmitic acid
ME136950
-
C00249
3.806807047
256.240228
[FA (14:0/2:0)] Tetradecanedioic acid
Tetradecanedioic acid
ME136990
-
C11002
4.687258705
258.1830202
D-Mannose 6-phosphate
Mannose 6-phosphate
ME137027
-
C00275
14.9482888
260.0296173
D-Fructose 6-phosphate
Fructose 6-phosphate
ME136923
-
C00085
15.74008417
260.0296422
D-Glucose 6-phosphate
Glucose 6-phosphate
ME136924
-
C00092
16.58859683
260.0296695
D-Mannitol 1-phosphate
Mannitol 1-phosphate
ME137026
-
C00644
14.9538384
262.045287
Glu-Asp
Glu-Asp
ME136975
-
-
14.04212213
262.0801924
L-beta-aspartyl-L-glutamicacid
-
ME136978
-
-
17.11596585
262.0802593
2(alpha-D-Mannosyl)-D-glycerate
2-(alpha-D-mannosyl)-D-glyceric acid
ME136970
-
C11544
14.65356876
268.0795314
Inosine
Inosine
ME136944
-
C00294
10.77356384
268.0809979
omega-Cyclohexylundecanoic acid
Cyclohexaneundecanoic acid
ME137091
-
C12100
3.810310516
268.2402413
[FA oxo(16:0)] 3-oxo-hexadecanoic acid
3-Ketopalmitic acid
ME137095
-
-
3.856102762
270.2195229
[FA methyl(16:0)] 14-methyl-hexadecanoic acid
-
ME137097
-
-
7.583546273
270.255842
[FA (17:0)] heptadecanoic acid
Margaric acid
ME137096
-
-
3.787728568
270.2558917
Glu-Glu
Glu-Glu
ME136974
-
C01425
13.14718224
276.0961225
2-C-Methyl-D-erythritol 2,4-cyclodiphosphate
-
ME136952
-
C11453
15.41180414
277.9956443
[FA (18:3)] 9Z,12Z,15Z-octadecatrienoic acid
alpha-Linolenic acid
ME137013
-
C06427
3.802040692
278.2245823
Linoleate
Linoleic acid
ME137011
-
C01595
3.794210149
280.2402685
[FA (18:1)] 9Z-octadecenoic acid
Oleic acid
ME136949
-
C00712
3.782011132
282.2558952
Octadecanoic acid
Stearic acid
ME137018
-
C01530
3.769564023
284.27157
Orotidine
Orotidine
ME136941
-
-
11.98648139
288.0593794
D-Sedoheptulose 7-phosphate
D-Sedoheptulose 7-phosphate
ME136955
-
C05382
15.96779348
290.0403448
2,7-Anhydro-alpha-N-acetylneuraminic acid
N-Acetyl-2,7-anhydro-alpha-neuraminic acid
ME137002
-
C04521
12.8363209
291.0954835
Phytuberin
Phytuberin
ME136995
-
C09709
3.923118794
294.1832184
Antirhine
Antirhine
ME137101
-
C09033
3.939536973
296.1889941
D-4'-Phosphopantothenate
(R)-4'-Phosphopantothenic acid
ME137008
-
C03492
14.86840557
299.0769973
(R)-2-Hydroxystearate
2-Hydroxystearic acid
ME137120
-
C03042
3.846125458
300.2665524
N-Acetyl-D-glucosamine 6-phosphate
N-Acetyl-glucosamine 6-phosphate
ME137039
-
C00357
14.49067729
301.0563104
PIPES
-
ME136979
-
-
14.21849318
302.060616
[PR] Abietic acid
Abietic acid
ME137009
-
C06087
3.78813386
302.2246844
[FA (20:4)] 5Z,8Z,11Z,14Z-eicosatetraenoic acid
Arachidonic acid
ME137012
-
C00219
3.777366454
304.2403769
Icosatrienoic acid
ETrE(11Z,14Z,17Z)
ME137016
-
C16522
3.774203553
306.2560784
Gln-Tyr
Gln-Tyr
ME137046
-
-
7.925970339
309.1327774
octulose 8-phosphate
Octulose 8-phosphate
ME137117
-
-
16.21637593
320.0509187
UMP
UMP
ME136918
-
C00105
14.83306872
324.0358929
[FA (22:5)] 7Z,10Z,13Z,16Z,19Z-docosapentaenoic ac...
DPA
ME137015
-
C16513
3.753318776
330.2561673
[FA hydroxy(20:3)] 5,6-dihydroxy-8Z,11Z,14Z-eicosa...
5,6-DiHETrE
ME137014
-
C14772
4.46855284
338.2458611
D-Fructose 1,6-bisphosphate
Fructose 1,6-bisphosphate
ME136954
-
C00354
17.87173301
339.9960981
Inosine2'-phosphate
-
ME137004
-
-
15.12203156
348.0470879
nonulose 9-phosphate
Nonulose 9-phosphate
ME137111
-
-
16.52407938
350.06163
2-Hydroxy-1,3-dimethoxy-8,9-methylenedioxycoumesta...
2-Hydroxy-1,3-dimethoxy-8,9-methylenedioxycoumestan
ME137052
-
-
7.667905289
356.053121
melibionate
-
ME137113
-
-
14.96084296
358.1109356
GMP
GMP
ME136919
-
C00144
16.41126436
363.0582012
Glu-Met-Thr
Glu-Met-Thr
ME136972
-
-
11.81288498
379.1414239
Cholate
Cholic acid
ME136947
-
C00695
4.711651076
408.2875735
LPA(0:0/16:0)
LPA 0:0/16:0
ME137099
-
C00416
4.612527478
410.2432328
dCDP-ethanolamine
-
ME137044
-
-
14.99922951
430.0656142
LPA(0:0/18:0)
LPA 0:0/18:0
ME137098
-
C00416
4.512094918
438.274375
CDP-ethanolamine
CDP-Ethanolamine
ME136953
-
C00570
16.06833818
446.0605453
Psychosine
Psychosine
ME136980
-
C01747
4.56092672
461.335641
Cholesterolsulfate
Cholesterol sulfate
ME137048
-
-
3.62009253
466.3117764
[PG (16:0)] 1-hexadecanoyl-sn-glycero-3-phospho-(1...
-
ME137066
-
-
3.826232678
484.2803954
ATP
ATP
ME136922
-
C00002
16.18885302
506.9958339
[PG (18:1)] 1-(9E-octadecenoyl)-sn-glycero-3-phosp...
-
ME137054
-
-
3.800147668
510.2959217
[PG (18:0)] 1-octadecanoyl-sn-glycero-3-phospho-(1...
-
ME136982
-
-
3.790382078
512.3114784
[PS (18:1)] 1-(9Z-octadecenoyl)-sn-glycero-3-phosp...
-
ME137053
-
-
4.112402993
523.2911841
[PS (18:0)] 1-octadecanoyl-sn-glycero-3-phosphoser...
LPS 18:0
ME137086
-
-
4.104113395
525.3068259
Cyclic ADP-ribose
Cyclic ADP-ribose
ME137109
-
C13050
13.80569461
541.0606777
[PS (20:4)] 1-(5Z,8Z,11Z,14Z-eicosatetraenoyl)-sn-...
LPS 20:4
ME137077
-
-
4.091627425
545.2755004
[SP (18:0)] N-(octadecanoyl)-sphing-4-enine
Cer 18:1;O2/18:0
ME136981
-
C00195
4.004825981
565.5437416
UDP-glucose
UDP-glucose
ME136929
-
C00029
16.13770055
566.0552158
[SP (18:0)] N-(octadecanoyl)-sphinganine
Cer 18:0;O2/18:0
ME137049
-
-
3.984689228
567.5582842
GDP-L-fucose
GDP-L-fucose
ME136963
-
C00325
17.37509998
589.0825894
[SP (20:0)] N-(eicosanoyl)-sphing-4-enine
Cer 18:1;O2/20:0
ME137050
-
C00195
3.983625387
593.5750078
[PI (18:0)] 1-octadecanoyl-sn-glycero-3-phospho-(1...
-
ME137060
-
-
7.667722168
600.3274467
GDP-mannose
GDP-mannose
ME136933
-
C00096
17.99333301
605.077519
UDP-N-acetyl-D-glucosamine
UDP-N-acetylglucosamine
ME136961
-
C00043
14.88035968
607.0817085
Cer(d18:2/23:0)
Cer 18:2;O2/23:0
ME137051
-
-
3.944261542
633.6048634
PA(32:1)
PA 32:1
ME137059
-
-
3.660738023
646.4577253
PA(32:0)
PA 32:0
ME137076
-
-
3.677556406
648.4732735
PE(12:0/18:4(6Z,9Z,12Z,15Z))
PE 12:0/18:4(6Z,9Z,12Z,15Z)*
ME137085
-
-
7.694703165
655.4219407
Deamino-NAD+
-
ME136946
-
C00857
14.04207058
664.0940961
PA(34:2)
PA 34:2
ME137072
-
-
3.646516977
672.4732959
PA(34:1)
PA 34:1
ME137062
-
-
3.654950402
674.4883728
PA(36:4)
PA 36:4
ME137063
-
-
3.626304775
696.4732021
PA(36:3)
PA 36:3
ME137058
-
-
3.631132699
698.4884829
PA(36:1)
PA 36:1
ME137064
-
-
3.642138291
702.5192442
PA(O-18:0/20:5(5Z,8Z,11Z,14Z,17Z))
PA O-18:0/20:5(5Z,8Z,11Z,14Z,17Z)*
ME137080
-
-
3.618674024
708.5095487
PA(38:6)
PA 38:6
ME137075
-
-
3.61552119
720.4737794
PA(38:5)
PA 38:5
ME136984
-
-
3.614018018
722.4880144
PE(18:0/P-18:1(11Z))
-
ME137074
-
C00350
3.968473663
729.567513
PE(36:4)
PE 36:4
ME136988
-
-
4.141802253
739.5150928
PE(36:3)
PE 36:3
ME137071
-
-
3.941930377
741.5320663
PE(36:2)
PE 36:2
ME136985
-
-
3.944541904
743.5472517
PE(36:1)
PE 36:1
ME137056
-
-
4.033274367
745.5613513
PG(34:1)
PG 34:1
ME136983
-
-
3.582638271
748.525626
PG(34:0)
PG 34:0
ME136986
-
-
4.051977455
750.5419252
PS(34:2)
PS 34:2
ME137084
-
-
3.698093915
759.5058638
PG(36:2)
PG 36:2
ME137061
-
-
3.574704027
774.5415095
PE(22:5(4Z,7Z,10Z,13Z,16Z)/P-18:1(11Z))
-
ME137069
-
C00350
3.862877719
775.5505098
PG(36:1)
PG 36:1
ME137068
-
-
3.653773308
776.5554063
PE(22:4(7Z,10Z,13Z,16Z)/P-18:0)
-
ME136987
-
C00350
3.958248447
779.5837497
acyl phosphatidylglycerol (n-C12:0)
-
ME137104
-
-
3.822272312
792.5502338
PG(38:5)
PG 38:5
ME137065
-
-
3.57727412
796.5251245
PG(40:6)
PG 40:6
ME137055
-
-
3.571279781
822.5424407
PG(40:5)
PG 40:5
ME137057
-
-
3.576866765
824.5560701
PS(40:8)
PS 40:8
ME137067
-
-
3.659790199
831.5059314
PI(36:4)
PI 36:4
ME137081
-
-
3.692227797
858.5261743
PI(36:3)
PI 36:3
ME137070
-
-
3.698570527
860.5405746
PI(36:2)
PI 36:2
ME137073
-
-
3.706628199
862.557345
PI(36:1)
PI 36:1
ME137078
-
-
3.722195864
864.5728853
3-Oxopropanoate
Malonic semialdehyde
ME137020
-
C00222
12.8004742
88.01598349
PI(38:5)
PI 38:5
ME137082
-
-
3.68342924
884.5428355
PI(38:4)
PI 38:4
ME137083
-
-
3.689617729
886.5579684
(S)-Lactate
Lactic acid
ME136956
-
C00186
9.203725032
90.03166373
PI(40:5)
PI 40:5
ME137079
-
-
3.683735972
912.5726122
Glycerol
Glycerol
ME136957
-
C00116
10.30602476
92.04732747
Furfural
2-Furancarboxaldehyde
ME137114
-
C14279
14.46608979
96.02113159
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