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Return to study ST001753 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
CHOLESTEROL
Cholesterol
ME457742
-
-
0.865
369.3515
CER 42:1;2
Cer 42:1;O2
ME457740
-
-
0.908
632.6347
CER 42:2;2
Cer 42:2;O2
ME457741
-
-
0.934
648.6299
PIPERINE
Piperine
ME457913
-
-
0.954
286.1437
PC O-39:5
PC O-39:5
ME457871
-
-
0.967
808.5859
CER 40:1;2
Cer 40:1;O2
ME457739
-
-
0.969
622.6135
SM 39:8;2
-
ME457944
-
-
0.977
759.5744
PC O-41:5
PC O-41:5
ME457883
-
-
0.993
836.6163
SM 43:10;2
-
ME457969
-
-
1.002
811.6072
PC O-33:3
PC O-33:3
ME457850
-
-
10.075
728.5773
PC O-39:3
PC O-39:3
ME457869
-
-
10.2
812.6714
LPC 30:1
LPC 30:1
ME457806
-
-
10.207
690.562
PC O-33:2
PC O-33:2
ME457849
-
-
10.226
730.5931
PC O-39:2
PC O-39:2
ME457868
-
-
10.255
814.6869
TG 54:4
TG 54:4
ME457993
-
-
103.012
900.7965
TG 47:0
TG 47:0
ME457990
-
-
103.272
810.7523
[2-[(5Z,8Z,11Z,14Z,17Z)-EICOSA-5,8,11,14,17-PENTAE...
-
ME457637
-
-
1.038
780.5548
(2-{[(2R)-2-(HEXADECANOYLOXY)-3-[(9Z)-OCTADEC-9-EN...
-
ME457565
-
-
1.041
760.585
TRIMETHYL(2-{[(2R)-2-(OCTADECANOYLOXY)-3-(TETRADEC...
-
ME457999
-
-
1.046
734.5702
TRIMETHYL(2-{[(2R)-3-[(1Z)-OCTADEC-1-EN-1-YLOXY]-2...
-
ME458002
-
-
1.064
772.5924
SM 36:2;2
SM 36:2;O2
ME457930
-
-
10.66
729.5887
[(E)-3-HYDROXY-2-STEARAMIDO-OCTADEC-4-ENYL] 2-(TRI...
-
ME457635
-
-
10.866
731.6045
[(2R)-3-CETYLOXY-2-[[(5Z,8Z,11Z,14Z)-EICOSA-5,8,11...
-
ME457631
-
-
1.097
784.5842
SM 34:1;2
SM 34:1;O2
ME457925
-
-
11.098
703.5746
SM 39:2;2
-
ME457939
-
-
1.114
771.6107
SM 41:8;2
-
ME457958
-
-
1.124
787.6065
(2-{[(2R)-3-[(1Z)-HEXADEC-1-EN-1-YLOXY]-2-HYDROXYP...
-
ME457590
-
-
11.311
480.3435
TRIMETHYL(2-{[(2R)-2-[(9Z,12Z)-OCTADECA-9,12-DIENO...
-
ME458000
-
-
1.144
786.6018
5-(TRIMETHYLAMMONIO)VALERATE
-
ME457701
-
-
11.474
160.1327
(2-{[(2R)-2-(ACETYLOXY)-3-(HEXADECYLOXY)PROPYL PHO...
-
ME457563
-
-
11.512
562.326
(2-{[(2R)-2,3-BIS[(9Z)-TETRADEC-9-ENOYLOXY]PROPYL ...
-
ME457582
-
-
11.535
674.5309
(2-AMINOETHOXY)[(2R)-2,3-BIS[(9Z,12Z)-OCTADECA-9,1...
-
ME457601
-
-
1.157
740.5249
SM 40:2;2
SM 40:2;O2
ME457947
-
-
1.158
785.6491
CAR 3:0
CAR 3:0
ME457732
-
-
11.71
218.1379
LPC 17:1
LPC 17:1
ME457795
-
-
11.757
508.3428
SM 30:1;2
-
ME457924
-
-
11.767
647.5121
LPC 20:1
LPC 20:1
ME457798
-
-
11.775
550.3802
TG 52:3
TG 52:3
ME457991
-
-
1.183
874.7839
SM 35:1;2
-
ME457927
-
-
1.193
717.5874
LPC 22:5
LPC 22:5
ME457804
-
-
12.003
570.3533
LPC 19:0
LPC 19:0
ME457796
-
-
12.055
538.3715
SM 42:1;2
SM 42:1;O2
ME457959
-
-
1.209
815.6956
(2-{[(2R)-2-HYDROXY-3-(ICOSANOYLOXY)PROPYL PHOSPHO...
-
ME457571
-
-
12.099
552.4008
PC O-40:0
PC O-40:0
ME457873
-
-
12.108
832.6966
LPC 22:3
LPC 22:3
ME457802
-
-
12.132
574.3603
LPC 22:4
LPC 22:4
ME457803
-
-
12.146
572.3702
1-HEXADECYL-2-(9Z-OCTADECENOYL)-SN-GLYCERO-3-PHOSP...
PC O-16:0/18:1
ME457648
-
-
1.218
746.5887
[(2R)-3-CETYLOXY-2-(METHYLCARBAMOYLOXY)PROPYL] 2-(...
-
ME457630
-
-
12.22
539.3893
SM 43:0;2
-
ME457967
-
-
12.241
831.6918
LPC O-20:0
LPC O-20:0
ME457816
-
-
12.254
538.3874
[2-[(E)-BUT-2-ENOYL]OXY-3-CETYLOXY-PROPYL] 2-(TRIM...
-
ME457638
-
-
12.257
550.3852
LPC O-22:0
LPC O-22:0
ME457818
-
-
12.26
566.454
[2-HYDROXY-3-[(9Z,12Z)-OCTADECA-9,12-DIENOYL]OXY-P...
-
ME457639
-
-
12.326
542.3232
LPC 20:2
LPC 20:2
ME457799
-
-
12.347
548.3674
LPC O-24:2
LPC O-24:2
ME457820
-
-
12.37
590.4491
LPC 19:1
LPC 19:1
ME457797
-
-
12.389
536.3724
LPC 22:6
LPC 22:6
ME457805
-
-
12.425
568.3388
(2-{[(2R)-2-HYDROXY-3-(OCTADECANOYLOXY)PROPYL PHOS...
-
ME457572
-
-
12.614
524.3707
[3-HYDROXY-2-[(9Z,12Z)-OCTADECA-9,12-DIENOYL]OXY-P...
-
ME457642
-
-
12.632
520.3393
TG 52:4
TG 52:4
ME457992
-
-
1.269
872.7649
(2-{[(2R)-3-(HEPTADECANOYLOXY)-2-HYDROXYPROPYL PHO...
-
ME457585
-
-
12.696
510.3559
LPC O-22:2
LPC O-22:2
ME457819
-
-
12.728
562.4226
(2-{[(2R)-2-HYDROXY-3-[(9Z)-OCTADEC-9-ENOYLOXY]PRO...
-
ME457575
-
-
12.735
522.3544
LPC 16:1
LPC 16:1
ME457793
-
-
12.739
494.3235
LPC O-20:1
LPC O-20:1
ME457817
-
-
12.822
536.4058
CAFFEINE
Caffeine
ME457725
-
-
1.292
195.0876
CHOLINE PHOSPHATE
Choline phosphate
ME457744
-
-
12.946
184.073
LPC O-18:0
LPC O-18:0
ME457813
-
-
12.99
510.3867
(2-{[(2R)-2-HYDROXY-3-[(1Z)-OCTADEC-1-EN-1-YLOXY]P...
-
ME457574
-
-
13.036
508.345
LPC 16:0
LPC 16:0
ME457792
-
-
13.062
496.3469
PROPANE-1,3-DIOL
Propane-1,3-diol
ME457916
-
-
13.089
114.8929
2-[(2R)-PYRROLIDIN-1-IUM-2-YL]ACETATE
-
ME457666
-
-
13.125
112.8954
(2-{[(2R)-2-HYDROXY-3-(PENTADECANOYLOXY)PROPYL PHO...
-
ME457573
-
-
13.148
482.3489
LPC 15:1
LPC 15:1
ME457791
-
-
13.151
480.3161
PC O-32:0
PC O-32:0
ME457844
-
-
13.171
720.5713
PYROGLUTAMIC ACID
Pyroglutamic acid
ME457917
-
-
13.201
130.0498
ALPHA-N-PHENYLACETYLGLUTAMINE
alpha-N-Phenylacetylglutamine
ME457712
-
-
13.212
265.1172
LPC O-18:1
LPC O-18:1
ME457814
-
-
13.312
508.374
LPC 16:2
LPC 16:2
ME457794
-
-
13.323
492.3104
LPC O-18:2
LPC O-18:2
ME457815
-
-
13.344
506.3598
LPC O-17:2
LPC O-17:2*
ME457812
-
-
13.356
492.3078
LPC 14:0
LPC 14:0
ME457790
-
-
13.363
468.3084
KYNURENIC ACID
Kynurenic acid
ME457778
-
-
13.374
190.0494
PARAXANTHINE
Paraxanthine
ME457837
-
-
1.339
181.0719
LPC O-16:0
LPC O-16:0
ME457810
-
-
13.432
482.3489
CORTISOL
Cortisol
ME457746
-
-
1.358
363.2177
ACETAMINOPHEN
Acetaminophen
ME457710
-
-
1.362
152.0705
SM 41:2;2
-
ME457955
-
-
1.382
799.6665
COTININE
Cotinine
ME457747
-
-
1.395
177.102
LPC O-13:0
LPC O-13:0*
ME457809
-
-
13.966
440.2754
PC O-31:1
PC O-31:1
ME457842
-
-
14.108
704.5768
(5E,9E)-6,10,14-TRIMETHYLPENTADECA-5,9,13-TRIEN-2-...
-
ME457627
-
-
1.415
263.2368
(S)-HOMOSTACHYDRINE
(S)-Homostachydrine
ME457628
-
-
14.177
158.1171
(2-AMINOETHOXY)[(2R)-2-HYDROXY-3-(OCTADECANOYLOXY)...
-
ME457598
-
-
14.224
482.3235
8-(3-OCTYLOXIRAN-2-YL)OCTANOIC ACID
-
ME457708
-
-
1.424
597.5049
8-[(2S,3R)-3-[(Z)-OCT-2-ENYL]OXIRAN-2-YL]CAPRYLIC ...
-
ME457709
-
-
1.425
279.2314
(2-AMINOETHOXY)[(2R)-2-HYDROXY-3-[(9Z)-OCTADEC-9-E...
-
ME457599
-
-
14.311
480.3072
1,2-DIOCTANOYL-SN-GLYCERO-3-PHOSPHOCHOLINE
-
ME457656
-
-
14.32
510.323
LPC 21:2
LPC 21:2*
ME457801
-
-
14.436
562.3487
(2-AMINOETHOXY)[(2R)-3-(HEXADECANOYLOXY)-2-HYDROXY...
-
ME457604
-
-
14.496
454.2911
CYTOSINE
Cytosine
ME457752
-
-
14.496
112.0503
2-(TRIMETHYLAMMONIO)PROPIONATE
-
ME457664
-
-
14.643
132.1012
(3R)-3-(ACETYLOXY)-4-(TRIMETHYLAZANIUMYL)BUTANOATE
-
ME457620
-
-
14.646
204.122
PIPECOLIC ACID
Pipecolic acid
ME457911
-
-
14.676
130.0859
2-(2,2,2-TRIFLUOROETHYLAMINO)ETHANOL
-
ME457659
-
-
14.771
114.0296
CARBAMAZEPINE
Carbamazepine
ME457738
-
-
1.484
237.1025
BETAINE
Betaine
ME457719
-
-
14.92
118.0857
1,1-DIMETHYLPYRROLIDIN-1-IUM-2-CARBOXYLATE
-
ME457654
-
-
14.956
144.1011
3-(DIPHENYL-1,3-OXAZOL-2-YL)PROPANOIC ACID
-
ME457686
-
-
1.497
294.112
2-PIPERIDINONE
2-Piperidinone
ME457682
-
-
1.506
100.0755
GLYCOCHOLIC ACID
Glycocholic acid
ME457764
-
-
15.249
430.2948
SM 41:1;2
-
ME457953
-
-
1.527
801.683
(3-CARBOXYPROPYL)TRIMETHYLAZANIUM
-
ME457619
-
-
15.46
146.1166
NIACINAMIDE
Niacinamide
ME457835
-
-
1.553
123.0552
THEOPHYLLINE
Theophylline
ME457994
-
-
1.575
181.0718
SM 43:2;2
-
ME457970
-
-
1.682
827.696
SM 41:5;2
-
ME457957
-
-
1.735
793.5919
PC O-34:3
PC O-34:3
ME457852
-
-
1.748
742.5724
TRANS-3-HYDROXYCOTININE
trans-3-Hydroxycotinine
ME457997
-
-
1.78
193.097
HEXAETHYLENE GLYCOL
Hexaethylene glycol
ME457768
-
-
1.782
283.1747
TRIGONELLINE
Trigonelline
ME457998
-
-
17.849
138.0541
PC O-35:3
PC O-35:3
ME457854
-
-
1.838
756.5525
PI-CER 41:4;3O
IPC 41:4;O3*
ME457906
-
-
18.449
888.5672
N1-METHYL-2-PYRIDONE-5-CARBOXAMIDE
N1-Methyl-2-pyridone-5-carboxamide
ME457832
-
-
1.864
153.0655
[(2R)-2-[(5Z,8Z,11Z,14Z)-ICOSA-5,8,11,14-TETRAENOY...
-
ME457629
-
-
19.012
887.5616
LEUCINE
Leucine
ME457789
-
-
19.05
132.1018
(2S)-2-AMINO-3-({HYDROXY[(2R)-2-[(5Z,8Z,11Z,14Z)-I...
-
ME457609
-
-
19.098
812.5416
[2-(TRIMETHYLAZANIUMYL)ETHOXY]PHOSPHONIC ACID
-
ME457636
-
-
1.91
184.073
TRYPTOPHAN
Tryptophan
ME458006
-
-
19.317
188.0707
4-KETO-6-METHYL-1H-PYRIDINE-3-CARBOXYLIC ACID
-
ME457697
-
-
1.941
136.0388
PI 36:4
PI 36:4
ME457909
-
-
19.448
881.514
PI-CER 39:4;3O
IPC 39:4;O3*
ME457904
-
-
19.455
860.5362
PI-CER 41:3;3O
IPC 41:3;O3*
ME457905
-
-
19.47
890.5818
(2S)-2-AMINO-3-({HYDROXY[(2R)-2-[(9Z)-OCTADEC-9-EN...
-
ME457610
-
-
19.474
790.5578
PI 38:3
PI 38:3
ME457910
-
-
19.482
911.5607
3,6,9,12,15,18,21,24,27-NONAOXANONACOSANE-1,29-DIO...
Decaethylene glycol
ME457691
-
-
1.972
459.28
PI 34:1
PI 34:1
ME457907
-
-
19.861
859.5306
1-(4-BROMO-2-FLUORO-PHENYL)PROPAN-1-ONE
-
ME457644
-
-
19.881
125.0206
PI 34:2
PI 34:2
ME457908
-
-
19.891
857.514
PHENYLALANINE
Phenylalanine
ME457903
-
-
19.904
166.0852
BETONICINE
Betonicine
ME457721
-
-
20.068
160.0959
(2S,3S)-2-AMINO-3-METHYLPENTANOIC ACID
-
ME457616
-
-
20.128
132.1012
N-METHYL-7H-PURIN-6-AMINE
6-Methyladenine
ME457828
-
-
20.314
150.077
3-METHYLADENINE
3-Methyladenine
ME457689
-
-
20.349
150.0768
1-METHYLADENOSINE
1-Methyladenosine
ME457650
-
-
20.383
282.1193
FOSINOPRIL
Fosinopril
ME457758
-
-
2.054
564.3582
SM 41:10;2
-
ME457954
-
-
2.057
783.5733
2-AMINO-1-PHENYLETHAN-1-ONE
2-Aminoacetophenone
ME457670
-
-
20.727
136.0751
ANILINE
Aniline
ME457714
-
-
20.753
94.0648
2-AMINO-4-(2-AMINOPHENYL)-4-OXOBUTANOIC ACID
-
ME457672
-
-
20.786
209.0916
2-AMINO-3-(1H-INDOL-3-YL)PROPANOIC ACID
-
ME457671
-
-
20.791
188.0698
3-AMINOQUINOLINE
3-Aminoquinoline
ME457688
-
-
20.873
145.0809
INDOLE
Indole
ME457777
-
-
20.947
118.065
2-METHYLBUT-3-EN-2-OL
-
ME457680
-
-
20.95
69.0699
CADAVERINE
Cadaverine
ME457724
-
-
20.95
86.0961
1~{H}-INDOLE-4-CARBALDEHYDE
-
ME457657
-
-
20.968
146.0596
TRYPTOPHANOL
Tryptophanol
ME458007
-
-
21.156
144.0802
3-METHYLINDOLE
3-Methylindole
ME457690
-
-
21.183
132.0839
4-METHYLQUINOLIN-2(1H)-ONE
-
ME457700
-
-
21.192
142.0653
2-(ACETYLTHIO)ETHYL-TRIMETHYL-AMMONIUM
-
ME457662
-
-
21.291
104.0687
(3R)-3-[(3-HYDROXYBUTANOYL)OXY]-4-(TRIMETHYLAZANIU...
-
ME457622
-
-
21.541
248.1486
PC O-29:1
PC O-29:1
ME457840
-
-
2.174
676.546
2-(3-CHLOROPHENYL)-3,5,5-TRIMETHYL-MORPHOLIN-2-OL
-
ME457660
-
-
2.186
238.0987
PC O-40:5
PC O-40:5
ME457878
-
-
2.251
822.6283
PC 36:4
PC 36:4
ME457838
-
-
2.265
804.5536
HEXCER 33:2;3
HexCer 33:2;O3
ME457769
-
-
2.269
700.5709
SPBP 18:1;O
SPBP 18:1;O*
ME457987
-
-
23.206
380.2544
HEX3CER 18:1;2O/16:0
Hex3Cer 18:1;O2/16:0
ME457767
-
-
23.293
1024.6752
METHIONINE
Methionine
ME457824
-
-
23.482
104.0522
PROLINE
Proline
ME457915
-
-
23.774
116.0697
(3R)-3-HYDROXY-4-(TRIMETHYLAZANIUMYL)BUTANOATE
-
ME457626
-
-
24.119
162.1116
(2-AMINO-1,1-DIMETHYL-ETHYL)AMINE
-
ME457592
-
-
24.135
72.0809
2-(1-METHYL-1H-IMIDAZOL-5-YL)ACETIC ACID
-
ME457658
-
-
24.394
141.0649
MET-ALA
Met-Ala
ME457822
-
-
24.416
221.094
BETAINE ALDEHYDE
Betaine aldehyde
ME457720
-
-
24.481
102.0914
(3R)-3-[(5-CARBOXYPENTANOYL)OXY]-4-(TRIMETHYLAZANI...
-
ME457624
-
-
24.717
290.1587
TAURINE
Taurine
ME457989
-
-
24.877
126.0211
(2-{[(2R)-2,3-BIS[(11Z)-ICOS-11-ENOYLOXY]PROPYL PH...
-
ME457578
-
-
2.56
842.6363
4-METHYLBENZAMIDE
-
ME457698
-
-
25.906
119.0484
TYROSINE
Tyrosine
ME458008
-
-
25.93
165.0541
4-HYDROXYBENZALDEHYDE
4-Hydroxybenzaldehyde
ME457695
-
-
25.948
123.0436
4-HYDROXYCINNAMIC ACID
cis-p-Coumaric acid
ME457696
-
-
26.033
147.0435
4-(2-AMINO-1-HYDROXYETHYL)PHENOL
Octopamine
ME457692
-
-
26.103
136.0756
2-HYDROXYCINNAMIC ACID
trans-o-Coumaric acid
ME457678
-
-
26.12
165.0543
ECTOINE
Ectoine
ME457755
-
-
26.126
143.0808
ERGOTHIONEINE
Ergothioneine
ME457757
-
-
27.034
230.0947
(3R)-3-[(4-CARBOXYBUTANOYL)OXY]-4-(TRIMETHYLAZANIU...
-
ME457623
-
-
27.081
276.1429
N-(3-HYDROXYPHENYL)ACETAMIDE
-
ME457825
-
-
27.469
152.0696
P-ACETAMIDOPHENYLGLUCURONIDE
p-Acetamidophenylglucuronide
ME457836
-
-
27.514
328.1022
4-AMINOPHENOL
4-Aminophenol
ME457693
-
-
27.578
110.0607
TRIMETHYLAMINE
Trimethylamine
ME458004
-
-
27.672
114.0659
LACCER D40:1
LacCer 40:1;O2
ME457788
-
-
28.975
1181.7491
CREATINE
Creatine
ME457748
-
-
28.976
132.0758
N-METHYLHYDANTOIN
N-Methylhydantoin
ME457829
-
-
29.144
115.0511
GM3 D34:1
GM3 34:1;O2
ME457766
-
-
29.174
1153.7166
DIHYDROTHYMINE
Dihydrothymine
ME457753
-
-
29.204
115.055
SM 39:9;2
-
ME457945
-
-
2.967
757.5579
PC O-40:6
PC O-40:6
ME457879
-
-
2.978
820.619
5-GUANIDINO-2-[[3-METHYL-2-(PYROGLUTAMOYLAMINO)PEN...
-
ME457704
-
-
30.031
399.2341
(2R)-6-ACETAMIDO-2-AMINO-HEXANOIC ACID
-
ME457606
-
-
30.351
189.1227
HIS LEU
His-Leu
ME457772
-
-
30.604
269.1593
VALSARTAN
Valsartan
ME458011
-
-
3.151
436.2348
SUCROSE
Sucrose
ME457988
-
-
31.559
365.1041
(2S,3S,4S,5R,6S)-6-[[(1S,9R,10S)-17-METHYL-17-AZAT...
-
ME457618
-
-
31.878
434.2163
N-ACETYLARGININE
N-Acetylarginine
ME457826
-
-
31.878
217.1284
SM 35:4;3
-
ME457928
-
-
3.206
727.5675
PC O-41:4
PC O-41:4
ME457882
-
-
3.25
838.628
SM 39:7;2
-
ME457943
-
-
3.293
761.5878
CAR 18:0
CAR 18:0
ME457731
-
-
3.319
428.3717
4-METHYLPYRIDINE
-
ME457699
-
-
3.32
94.065
PC O-43:8
PC O-43:8*
ME457891
-
-
3.332
858.5996
SM 49:5;2
-
ME457984
-
-
3.366
905.718
PC O-42:4
PC O-42:4
ME457887
-
-
3.371
852.6791
(3R)-3-[(9Z,12Z)-OCTADECA-9,12-DIENOYLOXY]-4-(TRIM...
-
ME457625
-
-
3.392
424.3417
2-AZANIUMYL-3-(1-METHYL-1H-IMIDAZOL-4-YL)PROPANOAT...
-
ME457675
-
-
34.074
124.086
THREONINE
Threonine
ME457996
-
-
34.208
102.0546
N-ACETYLCARNOSINE
N-Acetylcarnosine
ME457827
-
-
34.211
269.1233
SM 49:6;2
-
ME457985
-
-
3.422
903.7007
L-METHIONINE S-OXIDE
Methionine sulfoxide
ME457784
-
-
34.309
166.0531
GLUTAMINE
Glutamine
ME457763
-
-
34.556
130.0489
PC O-42:6
PC O-42:6
ME457889
-
-
3.461
848.6504
(2S)-2-[(2S)-2-AMINO-4-CARBOXYBUTANAMIDO]-4-METHYL...
-
ME457608
-
-
34.771
261.1424
PC O-42:3
PC O-42:3
ME457886
-
-
3.482
854.6547
PC O-42:7
PC O-42:7
ME457890
-
-
3.525
846.6352
SM 43:5;2
-
ME457973
-
-
3.535
821.622
CAR 16:0
CAR 16:0
ME457730
-
-
3.547
400.3413
PRO-HYDROXYPRO
Pro-hydroxyPro
ME457914
-
-
35.485
229.1182
PC O-40:8
PC O-40:8
ME457880
-
-
3.552
816.6002
SM 45:3;2
-
ME457978
-
-
3.552
853.685
SM 44:3;3
-
ME457975
-
-
3.564
855.6608
GAMMA-LINOLENYL CARNITINE
gamma-Linolenyl carnitine
ME457759
-
-
3.565
422.3271
SM 45:5;2
-
ME457979
-
-
3.587
849.6542
SN-GLYCERO-3-PHOSPHOCHOLINE
sn-Glycero-3-phosphocholine
ME457986
-
-
36.037
258.1088
SM 47:6;2
-
ME457982
-
-
3.611
875.67
2-(DIMETHYLAMINO)PROPAN-1-OL
-
ME457663
-
-
36.169
86.0967
N1,N12-DIACETYLSPERMINE
N1,N12-Diacetylspermine
ME457833
-
-
36.229
287.2428
PC O-44:8
PC O-44:8
ME457894
-
-
3.638
872.652
SM 45:6;2
-
ME457980
-
-
3.638
847.6398
SM 47:7;2
-
ME457983
-
-
3.65
873.6559
SM 47:5;2
-
ME457981
-
-
3.664
877.6859
SM 45:11;2
-
ME457976
-
-
3.71
837.6209
GLU VAL
Glu-Val
ME457761
-
-
37.428
247.1273
PC O-37:6
PC O-37:6
ME457862
-
-
3.758
778.5595
(2-{[(2R)-2,3-BIS[(9Z)-OCTADEC-9-ENOYLOXY]PROPYL P...
-
ME457581
-
-
3.762
808.5839
PC O-40:4
PC O-40:4
ME457877
-
-
3.767
824.6473
SM 43:4;2
-
ME457972
-
-
3.78
823.6377
SM 45:2;2
-
ME457977
-
-
3.797
855.7005
VAL GLU
Val-Glu
ME458010
-
-
37.975
247.1282
(2-{[(2R)-2,3-BIS[(5Z,8Z,11Z,14Z)-ICOSA-5,8,11,14-...
-
ME457579
-
-
3.798
830.5682
CAR 14:0
CAR 14:0
ME457729
-
-
3.801
372.3096
N1-ACETYLSPERMIDINE
N1-Acetylspermidine
ME457831
-
-
38.014
188.1745
(2-{[(2R)-2-[(4Z,7Z,10Z,13Z,16Z,19Z)-DOCOSA-4,7,10...
-
ME457569
-
-
3.81
818.6062
1-HEXADECYL-2-(5Z,8Z,11Z,14Z,17Z-EICOSAPENTAENOYL)...
-
ME457647
-
-
3.822
766.5737
L-PHENYLALANYL-L-ARGININE
Phe-Arg
ME457785
-
-
38.251
322.1861
PC O-44:5
PC O-44:5
ME457893
-
-
3.828
878.6969
[(2S)-2-[(5Z,8Z,11Z,14Z)-EICOSA-5,8,11,14-TETRAENO...
-
ME457632
-
-
3.831
810.6004
CITRULLINE
Citrulline
ME457745
-
-
38.379
159.0753
PC O-38:7
PC O-38:7
ME457866
-
-
3.847
790.5993
N8-ACETYLSPERMIDINE
N8-Acetylspermidine
ME457834
-
-
38.673
188.1745
(2-{[(2R)-3-(HEXADECANOYLOXY)-2-[(9Z)-OCTADEC-9-EN...
-
ME457588
-
-
3.874
782.5697
L-ARGINYL-L-PHENYLALANINE
Arg-Phe
ME457780
-
-
38.83
322.1868
(2-{[(2R)-2-[(5Z,8Z,11Z,14Z)-ICOSA-5,8,11,14-TETRA...
-
ME457570
-
-
3.9
794.6054
[3-HEXADECOXY-2-[(5Z,8Z,11Z,14Z)-ICOSA-5,8,11,14-T...
-
ME457640
-
-
3.913
768.5876
ARG PRO PRO
Arg-Pro-Pro
ME457717
-
-
39.146
369.2227
(2S,3S,4S,5R,6R)-3,4,5-TRIHYDROXY-6-[3-[(2S)-5-KET...
-
ME457617
-
-
39.209
353.1336
GLUTAMIC ACID
Glutamic acid
ME457762
-
-
39.263
130.0489
S-ADENOSYLHOMOCYSTEINE
S-Adenosylhomocysteine
ME457921
-
-
39.269
385.1277
2-AMINOPENTANEDIOIC ACID
-
ME457674
-
-
39.318
148.0593
GLU THR ARG
Glu-Thr-Arg
ME457760
-
-
39.338
405.2083
L-PHENYLALANYL-L-LYSINE
Phe-Lys
ME457786
-
-
39.342
294.1806
PC O-43:9
PC O-43:9*
ME457892
-
-
3.949
856.6204
3-{[(2R)-1-CARBOXY-3-(TRIMETHYLAZANIUMYL)PROPAN-2-...
-
ME457687
-
-
39.504
248.1115
PC O-36:6
PC O-36:6
ME457857
-
-
3.957
764.5625
(2-{[(2R)-2-[(4Z,7Z,10Z,13Z,16Z,19Z)-DOCOSA-4,7,10...
-
ME457567
-
-
3.96
792.5898
CREATININE
Creatinine
ME457749
-
-
3.961
114.0659
HISTAMINE
Histamine
ME457773
-
-
39.675
95.0603
UROCANIC ACID
Urocanic acid
ME458009
-
-
39.683
93.0448
PC O-38:2
PC O-38:2
ME457864
-
-
3.974
800.6284
HISTIDINE
Histidine
ME457774
-
-
40.006
110.0712
DIMETHYLARGININE
Dimethylarginine
ME457754
-
-
40.023
203.1502
(2-{[(2R)-2-[(4Z,7Z,10Z,13Z,16Z,19Z)-DOCOSA-4,7,10...
-
ME457566
-
-
4.003
806.5691
2,5-DIAMINOPENTANOIC ACID
-
ME457683
-
-
40.034
133.0975
(2-{[(2R)-3-[(4Z,7Z,10Z,13Z,16Z,19Z)-DOCOSA-4,7,10...
-
ME457591
-
-
4.014
834.6022
PC O-42:5
PC O-42:5
ME457888
-
-
4.025
850.662
SM 40:7;2
-
ME457950
-
-
4.043
775.6054
PC O-32:2
PC O-32:2
ME457846
-
-
4.082
716.557
L-ISOLEUCYL-L-ARGININE
Ile-Arg
ME457783
-
-
40.95
288.2014
SM 35:0;2
-
ME457926
-
-
4.103
719.5783
SM 39:3;2
-
ME457940
-
-
4.107
769.593
[3-HEXADECOXY-2-[(8Z,11Z,14Z)-ICOSA-8,11,14-TRIENO...
-
ME457641
-
-
4.149
770.6024
2-METHOXYPYRAZINE
-
ME457679
-
-
41.538
111.055
CAR 12:0
CAR 12:0
ME457728
-
-
4.165
344.2789
ADENINE
Adenine
ME457711
-
-
41.74
136.0619
SM 42:5;3
-
ME457965
-
-
4.176
823.6188
HIS ALA
His-Ala
ME457771
-
-
41.872
227.1124
SM 43:9;2
-
ME457974
-
-
4.209
813.6203
PC O-38:3
PC O-38:3
ME457865
-
-
4.215
798.6058
AMP
AMP
ME457713
-
-
42.246
348.068
SM 37:4;3
-
ME457934
-
-
4.276
755.5445
THR GLU
Thr-Glu
ME457995
-
-
43.101
249.1074
(2S)-2-AMINO-6-(DIMETHYLAMINO)HEXANOIC ACID
-
ME457612
-
-
43.108
175.143
2-AMINO-6-(1-AMINOETHYLIDENEAMINO)HEXANOIC ACID
-
ME457673
-
-
43.289
130.0864
2-AZANIUMYL-3-(1-METHYL-1H-IMIDAZOL-5-YL)PROPANOAT...
-
ME457676
-
-
43.305
170.0913
4-AMINOPYRIDINE
4-Aminopyridine
ME457694
-
-
43.327
95.0596
3-(2-PYRIMIDYL)PROPIONIC ACID
-
ME457685
-
-
43.385
153.0655
1,2-DIMETHYL-5-NITRO-1H-IMIDAZOLE
-
ME457655
-
-
43.51
96.0684
SM 40:1;2
SM 40:1;O2
ME457946
-
-
4.356
787.6052
1-METHYLHISTAMINE
1-Methylhistamine
ME457651
-
-
43.599
126.1015
(2-{[(2R)-3-(HEXADECANOYLOXY)-2-[(9Z,12Z)-OCTADECA...
-
ME457589
-
-
4.382
758.5703
SM 39:4;2
-
ME457941
-
-
4.387
767.5764
5-GLUTAMYL-ALANINE
gamma-Glutamylalanine
ME457703
-
-
44.175
219.0964
SM 40:8;2
-
ME457951
-
-
4.421
773.5907
(2S)-2-AMINO-5-ETHANIMIDAMIDOPENTANOIC ACID
-
ME457611
-
-
44.21
174.1224
PC O-41:7
PC O-41:7
ME457884
-
-
4.456
832.5812
[(5S)-5-AMINO-5-CARBOXYPENTYL]TRIMETHYLAZANIUM
-
ME457634
-
-
44.589
189.1586
KYOTORPHIN
Tyr-Arg
ME457779
-
-
44.803
338.1816
SM 40:9;2
-
ME457952
-
-
4.482
771.5897
[(2S)-3-(HEXADECYLTHIO)-2-(1-OXOHEXADECYLAMINO)PRO...
-
ME457633
-
-
4.485
735.5714
N(6)-METHYLLYSINE
N(6)-Methyllysine
ME457830
-
-
44.89
161.1274
SM 37:0;2
-
ME457931
-
-
4.525
747.5902
HOMOARGININE
Homoarginine
ME457775
-
-
45.82
189.1336
SER ASP LYS PRO
-
ME457923
-
-
46.096
488.2352
SM 42:3;2
-
ME457962
-
-
4.611
811.6632
(2-AMINOETHOXY)[(2R)-2,3-BIS[(9Z)-OCTADEC-9-ENOYLO...
-
ME457600
-
-
4.701
744.5646
ARGININE
Arginine
ME457718
-
-
47.163
175.1178
PYRROLIDINE-1-CARBOXAMIDINE
-
ME457918
-
-
47.402
114.102
1-OCTADECANOYL-2-(9E-OCTADECENOYL)-SN-GLYCERO-3-PH...
-
ME457653
-
-
4.743
810.6004
CAR 10:0
CAR 10:0
ME457726
-
-
4.783
316.2473
(2-{[(2R)-3-(HEXADECANOYLOXY)-2-(TETRADECANOYLOXY)...
-
ME457587
-
-
4.813
706.5383
CAR 10:1
CAR 10:1
ME457727
-
-
4.826
314.232
CHOLINE
Choline
ME457743
-
-
4.829
104.1065
2-(TRIMETHYLAZANIUMYL)ETHYL CARBAMATE
-
ME457665
-
-
4.883
147.1168
SM 39:1;2
-
ME457938
-
-
4.896
773.6504
(2-{[(2R)-2,3-BIS[(9Z,12Z,15Z)-OCTADECA-9,12,15-TR...
-
ME457584
-
-
4.907
778.5436
PIPERIDINE-3-CARBOXYLIC ACID
-
ME457912
-
-
49.093
130.0888
TRIMETHYL(2-{[(2R)-3-[(9Z)-OCTADEC-9-ENOYLOXY]-2-(...
-
ME458003
-
-
4.911
732.5574
L-ARGINYL-L-PROLINE
Arg-Pro
ME457781
-
-
49.306
272.1707
LYSINE
Lysine
ME457821
-
-
50.023
130.0853
1-HEXADECANOYL-2-DODECANOYL-SN-GLYCERO-3-PHOSPHOCH...
-
ME457646
-
-
5.033
678.5063
SM 38:3;2
-
ME457937
-
-
5.09
755.5747
L-PROLINAMIDE
Methionine (S)-S-oxide
ME457787
-
-
51.281
115.0856
SM 36:0;2
SM 36:0;O2
ME457929
-
-
5.129
733.6094
(2-{[(2R)-2,3-BIS[(9Z)-HEXADEC-9-ENOYLOXY]PROPYL P...
-
ME457580
-
-
5.162
730.55
PC O-36:2
PC O-36:2
ME457856
-
-
5.214
772.5787
SM 38:2;2
SM 38:2;O2
ME457936
-
-
5.223
757.5838
HIS-GLU
His-Glu
ME457770
-
-
52.316
285.1184
2-METHYLPYRROLIDINE
2-Methyl pyrrolidine
ME457681
-
-
5.232
86.0966
1-METHYLXANTHINE
1-Methylxanthine
ME457652
-
-
5.298
110.0341
TRIMETHYL(2-{[(2R)-3-(OCTADECANOYLOXY)-2-(TETRADEC...
-
ME458001
-
-
5.308
734.569
(2-{[(2R)-2,3-BIS(OCTADECANOYLOXY)PROPYL PHOSPHONA...
-
ME457576
-
-
5.344
790.6256
(2-{[(2R)-2-[(4Z,7Z,10Z,13Z,16Z,19Z)-DOCOSA-4,7,10...
-
ME457568
-
-
5.355
834.601
(2-{[(2R)-2-(HEXADECANOYLOXY)-3-(TETRADECANOYLOXY)...
-
ME457564
-
-
5.369
706.5563
CAR 8:0
CAR 8:0
ME457735
-
-
5.39
288.2163
BRADYKININ
Bradykinin
ME457722
-
-
53.907
530.7874
SM 38:1;2
SM 38:1;O2
ME457935
-
-
5.468
759.6334
6-CHLORO-7H-PURINE
-
ME457705
-
-
5.497
119.0346
PC O-35:1
PC O-35:1
ME457853
-
-
5.531
760.6365
(2-{[(2R)-3-(HEXADECANOYLOXY)-2-(OCTADECANOYLOXY)P...
-
ME457586
-
-
5.536
762.5952
TRIMETHYLAMINE N-OXIDE
Trimethylamine N-oxide
ME458005
-
-
5.637
151.1441
HYPOXANTHINE
Hypoxanthine
ME457776
-
-
5.656
137.0452
(2S)-2-[(2S)-2-AMINO-4-CARBOXYBUTANAMIDO]-4-CARBAM...
-
ME457607
-
-
57.122
276.1175
2-[[(2S)-2-AMINO-5-GUANIDINO-PENTANOYL]AMINO]ACETI...
-
ME457668
-
-
57.905
232.1392
1-(3-AMINOPIPERIDINO)ETHANONE
-
ME457643
-
-
5.817
143.118
ARG GLY
Arg-Gly
ME457716
-
-
58.492
232.1392
(2S)-4-AMINO-2-[[(2S)-2-AMINO-5-GUANIDINO-PENTANOY...
-
ME457614
-
-
58.66
289.1604
SER ARG
Ser-Arg
ME457922
-
-
58.694
262.1496
SM 40:3;2
-
ME457948
-
-
5.92
783.5906
BRADYKININ HYDROXYPROLINE
Bradykinin hydroxyproline
ME457723
-
-
59.301
538.7842
ARG GLU
Arg-Glu
ME457715
-
-
59.843
304.161
L-CYSTINE
Cystine
ME457782
-
-
59.93
241.0294
LPC 40:7
LPC 40:7*
ME457807
-
-
5.998
818.5903
CYSTEINE
Cysteine
ME457750
-
-
60.05
122.0265
(2S)-2-AMINO-6-[(4S)-4-AMINO-4-CARBOXYBUTANAMIDO]H...
Epsilon-(gamma-Glutamyl)-lysine
ME457613
-
-
60.382
276.1539
LPC 42:9
LPC 42:9*
ME457808
-
-
6.082
842.5952
2-[(CARBOXYMETHYL)AMINO]ACETIC ACID
Iminodiacetate
ME457667
-
-
61.381
134.0445
(2-{[(2R)-2,3-BIS(TETRADECANOYLOXY)PROPYL PHOSPHON...
-
ME457577
-
-
6.147
678.4696
(2-AMINOETHOXY)[(2R)-2-[(5Z,8Z,11Z,14Z)-ICOSA-5,8,...
-
ME457595
-
-
6.147
752.5581
EDETIC ACID
Edetic acid
ME457756
-
-
61.531
293.0968
5-AMINO-LEVULINIC ACID
5-Amino-levulinic acid
ME457702
-
-
61.581
114.055
(2S)-6-AMINO-2-[(2S)-2-AMINO-4-CARBOXYBUTANAMIDO]H...
-
ME457615
-
-
61.808
276.1539
PE O-40:7
PE O-40:7
ME457902
-
-
6.221
776.5602
CYTIDINE 5'-DIPHOSPHOCHOLINE
CDP-choline
ME457751
-
-
62.236
489.1137
PE O-36:5
PE O-36:5
ME457899
-
-
6.229
724.5269
PE O-38:6
PE O-38:6
ME457900
-
-
6.242
750.5425
CAR 8:1
CAR 8:1
ME457736
-
-
6.26
286.2006
PC O-30:1
PC O-30:1
ME457841
-
-
6.282
690.5616
METFORMIN
Metformin
ME457823
-
-
6.29
130.1081
PC O-39:8
PC O-39:8
ME457872
-
-
6.338
802.5965
PC O-41:8
PC O-41:8
ME457885
-
-
6.358
830.558
PE O-38:7
PE O-38:7
ME457901
-
-
6.358
748.5267
6-METHYLPYRIDIN-3-OL
-
ME457706
-
-
6.384
110.0601
PC O-38:1
PC O-38:1
ME457863
-
-
6.419
802.6778
PC O-32:1
PC O-32:1
ME457845
-
-
6.472
718.5927
CAR 6:0
CAR 6:0
ME457734
-
-
6.566
260.1849
PC O-28:7
PC O-28:7*
ME457839
-
-
6.583
650.4382
7-METHYLGUANINE
7-Methylguanine
ME457707
-
-
6.638
166.0725
PE O-34:3
PE O-34:3
ME457896
-
-
6.665
700.5269
(2-AMINOETHOXY)[(2R)-2-[(9Z)-OCTADEC-9-ENOYLOXY]-3...
-
ME457596
-
-
6.776
768.553
PE O-36:4
PE O-36:4
ME457898
-
-
6.78
726.5443
(2-AMINOETHOXY)[(2R)-2-[(4Z,7Z,10Z,13Z,16Z,19Z)-DO...
-
ME457594
-
-
6.867
792.5532
PE O-35:3
PE O-35:3
ME457897
-
-
6.884
714.5431
SM 43:1;2
-
ME457968
-
-
6.9
829.7072
(2-AMINOETHOXY)[(2R)-2-[(4Z,7Z,10Z,13Z,16Z,19Z)-DO...
-
ME457593
-
-
6.991
764.5213
(2-AMINOETHOXY)[(2R)-3-(HEXADECANOYLOXY)-2-[(9Z)-O...
-
ME457602
-
-
7.15
740.5212
PC O-31:2
PC O-31:2
ME457843
-
-
7.151
702.5591
(2-AMINOETHOXY)[(2R)-2-[(9Z,12Z)-OCTADECA-9,12-DIE...
-
ME457597
-
-
7.263
744.5528
SM 39:4;3
-
ME457942
-
-
7.38
783.6157
2-HYDROXY-3-(1H-INDOL-3-YL)PROPANOIC ACID
Indolelactic acid
ME457677
-
-
7.517
188.0701
CAR(4:0(3ME))
CAR 4:0;3Me
ME457737
-
-
7.573
246.1691
PE 36:3
PE 36:3
ME457895
-
-
7.625
764.5205
(2-AMINOETHOXY)[(2R)-3-(HEXADECANOYLOXY)-2-[(9Z,12...
-
ME457603
-
-
7.71
716.5216
(3R)-3-[(2-METHYLBUTANOYL)OXY]-4-(TRIMETHYLAZANIUM...
-
ME457621
-
-
7.801
187.0966
PC O-37:1
PC O-37:1
ME457858
-
-
7.951
788.6706
2-(4-{2-HYDROXY-3-[(PROPAN-2-YL)AMINO]PROPOXY}PHEN...
Atenolol
ME457661
-
-
8.029
267.1706
QUINOLIN-4-OL
-
ME457919
-
-
8.077
146.0594
LPC 20:4
LPC 20:4
ME457800
-
-
8.185
566.3219
1-HEXADECANOYL-2-(5-OXOVALEROYL)-SN-GLYCERO-3-PHOS...
-
ME457645
-
-
8.559
594.3756
QUINOLIN-5-OL
-
ME457920
-
-
8.616
146.0599
3-(1H-INDOL-3-YL)-2-(TRIMETHYLAMMONIO)PROPIONATE
-
ME457684
-
-
8.636
247.1442
PC O-33:0
PC O-33:0
ME457847
-
-
8.732
734.6219
1-METHYL NICOTINAMIDE
1-Methyl nicotinamide
ME457649
-
-
8.8
137.0702
GLYCOURSODEOXYCHOLIC ACID
Glycoursodeoxycholic acid
ME457765
-
-
8.808
432.3101
2-[[4-(3,12-DIHYDROXY-10,13-DIMETHYL-2,3,4,5,6,7,8...
-
ME457669
-
-
8.826
414.2987
(2E)-3-(1H-INDOL-3-YL)PROP-2-ENOIC ACID
-
ME457605
-
-
8.845
170.0603
PC O-37:2
PC O-37:2
ME457859
-
-
8.927
786.6559
SM 42:3;3
-
ME457963
-
-
8.951
827.6974
PC O-37:3
PC O-37:3
ME457860
-
-
9.015
784.6295
(2-{[(2R)-2,3-BIS[(9Z,12Z)-OCTADECA-9,12-DIENOYLOX...
-
ME457583
-
-
9.041
782.5803
PC O-33:1
PC O-33:1
ME457848
-
-
9.247
732.6082
SM 42:4;3
-
ME457964
-
-
9.278
825.6756
PC O-37:4
PC O-37:4
ME457861
-
-
9.394
782.596
PC O-40:3
PC O-40:3
ME457876
-
-
9.511
826.6835
SM 42:6;2
-
ME457966
-
-
9.537
805.6225
PC O-40:2
PC O-40:2
ME457875
-
-
9.546
828.7018
SM 42:2;3
SM 42:2;O3
ME457961
-
-
9.571
829.7108
PC O-36:1
PC O-36:1
ME457855
-
-
9.58
774.6554
CAR 4:0
CAR 4:0
ME457733
-
-
9.622
232.1535
PC O-39:1
PC O-39:1
ME457867
-
-
9.655
816.7006
PC O-34:1
PC O-34:1
ME457851
-
-
9.709
746.6232
SM 37:2;2
-
ME457933
-
-
9.777
743.6018
SM 40:5;2
-
ME457949
-
-
9.782
779.6035
SM 37:1;2
-
ME457932
-
-
9.787
745.6203
SM 43:3;3
-
ME457971
-
-
9.829
841.7119
PC O-40:1
PC O-40:1
ME457874
-
-
9.83
830.7159
PC O-39:4
PC O-39:4
ME457870
-
-
9.85
810.6541
PC O-41:2
PC O-41:2
ME457881
-
-
9.902
842.717
SM 42:2;2
SM 42:2;O2
ME457960
-
-
9.91
813.6722
SM 41:3;2
-
ME457956
-
-
9.976
797.6502
LPC O-17:1
LPC O-17:1
ME457811
-
-
9.984
494.3234
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