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Return to study ST002435 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
LPC(14:0)
LPC 14:0
ME576659
-
-
10.1113909999999
-
L-CARNITINE
Carnitine
ME576597
-
-
10.1336759999999
-
BETAINE
Betaine
ME576594
-
-
10.173788
-
TRIGONELLINE
Trigonelline
ME576618
-
-
10.173788
-
ADENOSINE_5'-MONOPHOSPHATE
AMP
ME576709
-
-
10.178247
-
NALPHA-ACETYL-L-LYSINE
N(2)-Acetyllysine
ME576707
-
-
10.3311139999999
-
CITRULLINE
Citrulline
ME576657
-
-
10.7719679999999
-
PC(8:0)
PC 8:0
ME576695
-
-
11.1775579999999
-
CHOLESTERYL_ACETATE
Cholesteryl acetate
ME576638
-
-
1.1741331
-
GAMMA-LINOLENIC_ACID
gamma-Linolenic acid
ME576609
-
-
1.2632727
-
Thiamine
Thiamine
ME576654
-
-
12.679581
-
HISTAMINE
Histamine
ME576663
-
-
13.152029
-
REICHSTEINS_SUBSTANCE_S
-
ME576716
-
-
1.3167581
-
L-HISTIDINE
Histidine
ME576630
-
-
13.557619
-
L-ARGININE
Arginine
ME576637
-
-
13.593275
-
L-LYSINE
Lysine
ME576651
-
-
14.63329
-
HIPPURATE
Hippuric acid
ME576693
-
-
1.5039541
-
THYMINE
Thymine
ME576712
-
-
1.5618958
-
N(PAI)-METHYL-L-HISTIDINE
3-Methylhistidine
ME576684
-
-
15.796578
-
PANTOTHENIC_ACID
Pantothenic acid
ME576648
-
-
1.5886375
-
CARNOSINE
Carnosine
ME576739
-
-
15.943661
-
SN-GLYCERO-3-PHOSPHOCHOLINE
sn-Glycero-3-phosphocholine
ME576623
-
-
16.4205639999999
-
URACIL
Uracil
ME576635
-
-
1.683525
-
URIDINE
Uridine
ME576694
-
-
1.683525
-
NICOTINAMIDE
Niacinamide
ME576607
-
-
1.6968958
-
PHOSPHOCHOLINE
Choline phosphate
ME576688
-
-
17.178262
-
ALLANTOIN
Allantoin
ME576670
-
-
1.7370104
-
L-ANSERINE
Anserine
ME576735
-
-
17.6878889999999
-
SPERMIDINE
Spermidine
ME576728
-
-
17.840902
-
NEPSILON,NEPSILON,NEPSILON-TRIMET
-
ME576664
-
-
17.8899289999999
-
3-UREIDOPROPIONATE
Ureidopropionic acid
ME576682
-
-
1.8542105
-
5,6-DIHYDROURACIL
Dihydrouracil
ME576666
-
-
1.8542105
-
UROCANATE
Urocanic acid
ME576668
-
-
2.0025938
-
3-AMINO-4-HYDROXYBENZOIC_ACID
3-Amino-4-hydroxybenzoic acid
ME576656
-
-
2.2134124
-
ADENOSINE
Adenosine
ME576725
-
-
2.2758106
-
GUANINE
Guanine
ME576723
-
-
2.3025523
-
ADENINE
Adenine
ME576689
-
-
2.580169
-
5-OXO-L-PROLINE
Pyroglutamic acid
ME576718
-
-
3.1145815
-
CYTOSINE
Cytosine
ME576628
-
-
3.387786
-
CREATININE
Creatinine
ME576600
-
-
3.8304237
-
TAURINE
Taurine
ME576606
-
-
4.6960907
-
METHYLGUANIDINE
Methylguanidine
ME576679
-
-
4.8713157
-
C14-CARNITINE
CAR 14:0
ME576678
-
-
5.3541138
-
LAUROYLCARNITINE
CAR 12:0
ME576706
-
-
5.6393638
-
L-TRYPTOPHAN
Tryptophan
ME576620
-
-
5.9290724
-
C10-CARNITINE
CAR 10:0
ME576717
-
-
5.96027
-
C8-CARNITINE
CAR 8:0
ME576704
-
-
6.2616913
-
L-PHENYLALANINE
Phenylalanine
ME576616
-
-
6.2675016
-
Acetylcholine
Acetylcholine
ME576737
-
-
6.3521869
-
3-METHYLADENINE
3-Methyladenine
ME576724
-
-
6.5052039
-
LEUCINE_NORLEUCINE
-
ME576612
-
-
6.5631454
-
L-TYROSINE
Tyrosine
ME576641
-
-
6.696856
-
PC(40:6)
PC 40:6
ME576669
-
-
6.8719769
-
PC(40:7)
PC 40:7
ME576715
-
-
6.8764329
-
L-METHIONINE
Methionine
ME576655
-
-
6.9490707
-
PC(38:5)
PC 38:5
ME576642
-
-
6.9490707
-
PC(38:6)
PC 38:6
ME576629
-
-
6.9579829
-
LPE(18:2)
LPE 18:2
ME576726
-
-
6.9624415
-
PC(37:4)
PC 37:4
ME576711
-
-
6.9668978
-
LPE(16:0)
LPE 16:0
ME576699
-
-
7.0070124
-
PC(36:4)
PC 36:4
ME576622
-
-
7.0070124
-
PC(38:2)
PC 38:2
ME576667
-
-
7.0261622
-
PC(36:5)
PC 36:5
ME576677
-
-
7.0350749
-
PC(36:1)
PC 36:1
ME576611
-
-
7.1073163
-
PC(36:2)
PC 36:2
ME576599
-
-
7.1117728
-
PC(36:3)
PC 36:3
ME576614
-
-
7.1117728
-
PC(35:1)
PC 35:1
ME576671
-
-
7.1385145
-
PC(35:3)
PC 35:3
ME576703
-
-
7.1385145
-
PC(35:2)
PC 35:2
ME576646
-
-
7.1474289
-
PC(34:1)
PC 34:1
ME576601
-
-
7.1830853
-
PC(34:2)
PC 34:2
ME576596
-
-
7.2009143
-
PC(34:3)
PC 34:3
ME576647
-
-
7.2053708
-
PC(33:2)
PC 33:2
ME576692
-
-
7.2365708
-
PC(33:0)
PC 33:0
ME576700
-
-
7.2454833
-
PC(32:1)
PC 32:1
ME576645
-
-
7.2646291
-
PC(32:2)
PC 32:2
ME576705
-
-
7.2869145
-
PC(32:0)
PC 32:0
ME576617
-
-
7.2913708
-
PC(31:0)
PC 31:0
ME576708
-
-
7.3314854
-
PC(30:0)
PC 30:0
ME576691
-
-
7.3729396
-
C5-CARNITINE
CAR 5:0
ME576675
-
-
7.5079792
-
L-VALINE
Valine
ME576625
-
-
7.5806456
-
C4-CARNITINE
CAR 4:0
ME576633
-
-
8.0453627
-
PC(25:0)
PC 25:0
ME576613
-
-
8.16124379999999
-
SM(42:2)
SM 42:2;O2
ME576643
-
-
8.3662691
-
SM(42:3)
SM 42:3;O2
ME576652
-
-
8.3662691
-
SM(41:2)
SM 41:2;O2
ME576701
-
-
8.3974691
-
N-ACETYLPUTRESCINE
N-Acetylputrescine
ME576736
-
-
8.415296
-
SM(40:2)
SM 40:2;O2
ME576687
-
-
8.4286668
-
SM(39:1)
SM 39:1;O2
ME576740
-
-
8.4776942
-
SM(40:3)
SM 40:3;O2
ME576722
-
-
8.4776942
-
L-THREONINE
Threonine
ME576660
-
-
8.5133504
-
SM(38:1)
SM 38:1;O2
ME576733
-
-
8.55346499999999
-
SM(38:2)
SM 38:2;O2
ME576719
-
-
8.55346499999999
-
LPC(19:1)
LPC 19:1
ME576729
-
-
8.6083505
-
SM(36:1)
SM 36:1;O2
ME576698
-
-
8.6752046
-
SM(36:2)
SM 36:2;O2
ME576696
-
-
8.6885776
-
C3-CARNITINE
CAR 3:0
ME576639
-
-
8.7242336
-
SM(35:1)
SM 35:1;O2
ME576732
-
-
8.7286901
-
4-IMIDAZOLEACETIC_ACID
Imidazoleacetic acid
ME576730
-
-
8.770213
-
SM(34:0)
SM 34:0;O2
ME576680
-
-
8.801413
-
SM(34:1)
SM 34:1;O2
ME576631
-
-
8.801413
-
SM(34:2)
SM 34:2;O2
ME576653
-
-
8.8236984
-
GUANIDINOACETATE
Guanidoacetic acid
ME576713
-
-
8.8281547
-
L-ALANINE
Alanine
ME576649
-
-
8.8607169
-
SM(33:1)
SM 33:1;O2
ME576676
-
-
8.8607169
-
L-PROLINE
Proline
ME576608
-
-
8.9231152
-
SM(32:1)
SM 32:1;O2
ME576702
-
-
8.92757319999999
-
SM(32:2)
SM 32:2;O2
ME576738
-
-
8.973463
-
L-SERINE
Serine
ME576686
-
-
8.9957483
-
PC(21:0)
PC 21:0
ME576619
-
-
9.0759754
-
4-HYDROXY-L-PROLINE
cis-4-Hydroxyproline
ME576685
-
-
9.1174712
-
PAF-C18
-
ME576721
-
-
9.1664986
-
PC(O-18:3/2:0)
PC O-18:3/2:0
ME576742
-
-
9.2199819
-
PC(O-20:4/2:0)
PC O-20:4/2:0
ME576741
-
-
9.22444
-
5-AMINOPENTANOATE
5-Aminopentanoic acid
ME576658
-
-
9.22889649999999
-
PC(O-20:6/2:0)
PC O-20:6/2:0
ME576681
-
-
9.2734674
-
L-GLUTAMIC_ACID
Glutamic acid
ME576673
-
-
9.3224945
-
PC(O-18:2/2:0)
PC O-18:2/2:0
ME576727
-
-
9.3447796
-
PC(O-18:4/2:0)
PC O-18:4/2:0
ME576662
-
-
9.3447796
-
PAF-C16
-
ME576610
-
-
9.3759799
-
LPC(22:1)
LPC 22:1
ME576710
-
-
9.3893507
-
GLYCINE
Glycine
ME576720
-
-
9.393807
-
PC(O-16:1/2:0)
PC O-16:1/2:0
ME576627
-
-
9.4383776
-
SARCOSINE
Sarcosine
ME576661
-
-
9.4383776
-
LPC(20:0)
LPC 20:0
ME576665
-
-
9.4829487
-
DEOXYCARNITINE
3-Dehydroxycarnitine
ME576636
-
-
9.4918609
-
C2-CARNITINE
CAR 2:0
ME576624
-
-
9.5096904
-
O-ACETYL-L-CARNITINE
CAR 2:0
ME576598
-
-
9.5096904
-
L-ASPARAGINE
Asparagine
ME576697
-
-
9.5408904
-
LPC(22:4)
LPC 22:4
ME576734
-
-
9.5453464
-
PC(O-16:2/2:0)
PC O-16:2/2:0
ME576621
-
-
9.5453464
-
LPC(22:6)
LPC 22:6
ME576634
-
-
9.5854589
-
PC(O-14:0/2:0)
PC O-14:0/2:0
ME576604
-
-
9.5943737
-
PC(O-16:3/2:0)
PC O-16:3/2:0
ME576683
-
-
9.5943737
-
BETA-ALANINE
beta-Alanine
ME576672
-
-
9.6389443
-
CREATINE
Creatine
ME576605
-
-
9.6389443
-
LPC(20:2)
LPC 20:2
ME576690
-
-
9.64785919999999
-
LPC(20:4)
LPC 20:4
ME576626
-
-
9.6567717
-
LPC(18:0)
LPC 18:0
ME576595
-
-
9.6701446
-
LPC(20:3)
LPC 20:3
ME576640
-
-
9.68797159999999
-
PC(O-14:1/2:0)
PC O-14:1/2:0
ME576674
-
-
9.68797159999999
-
4-AMINOBUTANOATE
gamma-Aminobutyric acid
ME576650
-
-
9.7147134
-
LPC(18:1)
LPC 18:1
ME576603
-
-
9.7369988
-
L-GLUTAMINE
Glutamine
ME576615
-
-
9.8127694
-
LPC(18:2)
LPC 18:2
ME576602
-
-
9.83059669999999
-
PC(O-12:0/2:0)
PC O-12:0/2:0
ME576714
-
-
9.8350551
-
LPC(16:0)
LPC 16:0
ME576593
-
-
9.8796237
-
LPC(18:3)
LPC 18:3
ME576644
-
-
9.897453
-
LPC(18:4)
LPC 18:4
ME576731
-
-
9.9420239
-
LPC(16:1)
LPC 16:1
ME576632
-
-
9.9598507
-
Analysis: Reversed phase NEGATIVE ION MODE
Select
Metabolite Name
RefMet Name/Standardized Name*
WorkBenchMetabolite_ID
PubChemCompound_ID
Kegg Id
Retentiontime/index
m/z ratio
CREATININE
Creatinine
ME576747
-
-
0.82930775
-
L-HISTIDINE
Histidine
ME576757
-
-
0.82930775
-
CREATINE
Creatine
ME576787
-
-
0.83376608
-
L-ASPARAGINE
Asparagine
ME576745
-
-
0.83376608
-
L-SERINE
Serine
ME576777
-
-
0.83376608
-
ALPHA-GLUCOSE
Glucose
ME576800
-
-
0.83822207
-
CITRULLINE
Citrulline
ME576789
-
-
0.83822207
-
HOMOSERINE
Homoserine
ME576799
-
-
0.83822207
-
MANNITOL
Mannitol
ME576771
-
-
0.83822207
-
TAURINE
Taurine
ME576792
-
-
0.83822207
-
L-ARABITOL
L-Arabitol
ME576752
-
-
0.8471369
-
L-GLUTAMIC_ACID
Glutamic acid
ME576766
-
-
0.8471369
-
ALLANTOIN
Allantoin
ME576776
-
-
0.86050777
-
ALPHA-AMINOADIPATE
Aminoadipic acid
ME576751
-
-
0.86050777
-
GLUCONIC_ACID
Gluconic acid
ME576788
-
-
0.86050777
-
GLUCURONIC_ACID
Glucuronic acid
ME576783
-
-
0.86050777
-
L-ASPARTATE
Aspartic acid
ME576772
-
-
0.86050777
-
GLYCERATE
Glyceric acid
ME576802
-
-
0.91844716
-
GLUCOSE_6-PHOSPHATE
Glucose 6-phosphate
ME576760
-
-
0.95982426
-
N-ACETYLNEURAMINATE
N-Acetylneuraminic acid
ME576744
-
-
0.95982426
-
RIBOSE_5-PHOSPHATE
Ribose 5-phosphate
ME576781
-
-
0.9642807
-
MALATE
D-Malic acid
ME576782
-
-
1.0413325
-
3-UREIDOPROPIONATE
Ureidopropionic acid
ME576749
-
-
1.139387
-
3-SULFINO-L-ALANINE
3-Sulfino-alanine
ME576786
-
-
1.1661287
-
N-ACETYLGLYCINE
N-Acetylglycine
ME576765
-
-
1.175041
-
MALONATE
Malonic acid
ME576750
-
-
1.1794995
-
CHOLATE
Cholic acid
ME576768
-
-
12.1647079999999
-
LACTATE
Lactic acid
ME576770
-
-
1.2374412
-
DEOXYCHOLATE
Deoxycholic acid
ME576796
-
-
12.806516
-
CITRAMALATE
Citramalic acid
ME576748
-
-
1.3221222
-
N-ACETYL-L-ASPARTIC_ACID
N-Acetylaspartic acid
ME576746
-
-
1.3221222
-
CITRATE
Citric acid
ME576795
-
-
1.4023493
-
LINOLEATE
Linoleic acid
ME576753
-
-
14.183729
-
PALMITATE
Palmitic acid
ME576755
-
-
14.428865
-
ADENOSINE_5'-MONOPHOSPHATE
AMP
ME576775
-
-
1.4558327
-
ELAIDIC_ACID
Elaidic acid
ME576769
-
-
14.593775
-
L-TYROSINE
Tyrosine
ME576763
-
-
1.4736622
-
STEARATE
Stearic acid
ME576756
-
-
15.073351
-
OROTIC_ACID
Orotic acid
ME576743
-
-
1.5494308
-
CETOGLUTARATE
-
ME576805
-
-
1.5583434
-
FUMARATE
Fumaric acid
ME576785
-
-
1.5939997
-
URIDINE-5-MONOPHOSPHATE
UMP
ME576778
-
-
1.5984581
-
5-OXO-L-PROLINE
Pyroglutamic acid
ME576804
-
-
1.617589
-
XANTHINE
Xanthine
ME576790
-
-
1.6220455
-
SUCCINATE
Succinic acid
ME576807
-
-
1.6577015
-
CYTIDINE_2',3'-CYCLIC_MONO-PHOS-PHAT
-
ME576754
-
-
1.6621581
-
N-ACETYL-L-GLUTAMIC_ACID
N-Acetyl-mannosamine
ME576784
-
-
1.7735831
-
GUANOSINE_5'-MONOPHOSPHATE
GMP
ME576774
-
-
1.7869539
-
URIDINE
Uridine
ME576797
-
-
1.8582663
-
3-DEHYDROSHIKIMATE
3-Dehydroshikimate
ME576767
-
-
1.9251204
-
INOSINE_5'-MONOPHOSPHATE
IMP
ME576798
-
-
2.139058
-
3-HYDROXYBUTANOIC_ACID
3-Hydroxybutyric acid
ME576811
-
-
2.3217958
-
TRANS-ACONITATE
trans-Aconitic acid
ME576794
-
-
2.7853231
-
L-PHENYLALANINE
Phenylalanine
ME576762
-
-
3.3781045
-
4-ACETAMIDOBUTANOATE
4-Acetamidobutanoic acid
ME576813
-
-
4.4554442
-
THYMIDINE
Thymidine
ME576779
-
-
5.1418239
-
L-TRYPTOPHAN
Tryptophan
ME576761
-
-
5.2666198
-
PANTOTHENIC_ACID
Pantothenic acid
ME576793
-
-
5.6543783
-
FORMYL-L-METHIONYL_PEPTIDE
N-Formylmethionine
ME576812
-
-
5.6989489
-
3-HYDROXYBENZOATE
3-Hydroxybenzoic acid
ME576764
-
-
5.9529968
-
N-ACETYL-L-METHIONINE
N-Acetylmethionine
ME576780
-
-
6.4610951
-
HIPPURATE
Hippuric acid
ME576803
-
-
7.1118184
-
2-HYDROXY-4-(METHYLTHIO)BUTYRIC_ACI
-
ME576758
-
-
8.1026959
-
INDOXYL_SULFATE
Indoxyl sulfate
ME576809
-
-
8.1561813
-
3-(2-HYDROXYPHENYL)PROPANOATE
3-(2-Hydroxyphenyl)propanoic acid
ME576759
-
-
8.65239399999999
-
4-METHYL-2-OXO-PENTANOIC_ACID
Ketoleucine
ME576808
-
-
8.8155585
-
N-ACETYL-TRYPTOPHAN
N-Acetyl-tryptophan
ME576815
-
-
8.83338539999999
-
N-ACETYL-L-PHENYLALANINE
N-Acetylphenylalanine
ME576810
-
-
8.8423003
-
SUBERIC_ACID
Suberic acid
ME576806
-
-
8.9091545
-
N6-(DELTA2-ISOPENTENYL)-ADENINE
N6-(delta2-Isopentenyl)-adenine
ME576791
-
-
9.0040878
-
4-METHYL-2-OXOVALERIC_ACID
Ketoleucine
ME576814
-
-
9.09322749999999
-
3-HYDROXYPHENYLACETATE
3-Hydroxyphenylacetic acid
ME576801
-
-
9.5817172
-
BENZYL_ALCOHOL
Benzyl alcohol
ME576773
-
-
9.7657399
-
UCSD Metabolomics Workbench, a resource sponsored by the Common Fund of the National Institutes of Health
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