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Return to study ST000946 main page
Analysis: Other NEGATIVE ION MODE
Select
Metabolite Name
RefMet Name/Standardized Name*
WorkBenchMetabolite_ID
PubChemCompound_ID
Kegg Id
Retentiontime/index
m/z ratio
OXALACETIC ACID (M-H-H2O)
Oxaloacetic acid
ME234685
970
-
0.525
93.9668
L-HISTIDINE (M-H)
Histidine
ME234665
6274
-
0.566
153.0535
TAURINE (M-H)
Taurine
ME234695
1123
-
0.567
122.9988
L-GLUTAMINE (M-H)
Glutamine
ME234664
5961
-
0.569
144.0537
OXALIC ACID (M-H)
Oxalic acid
ME234686
971
-
0.605
87.98
2-DEOXYGLUCOSE (M+Cl)
2-Deoxy-glucose
ME234622
71308134
-
0.674
234.0063
D-GLUCOSE (M+Cl)
Glucose
ME234648
5793
-
0.674
250.0016
MALIC ACID (M-H)
Malic acid
ME234676
525
-
0.717
132.006
5-AMINOPENTANOIC ACID (M-H)
5-Aminopentanoic acid
ME234627
138
-
0.731
115.0625
ISOCITRIC ACID (M-H)
Isocitric acid
ME234662
1198
-
0.78
190.0109
L-VALINE (M-H)
Valine
ME234673
6287
-
0.846
115.0623
ACETYLGLYCINE (M-H)
N-Acetylglycine
ME234631
10972
-
0.875
115.0265
DUMP (M-H)
dUMP
ME234651
65063
-
0.875
306.0257
O-SUCCINYL-L-HOMOSERINE (M-H)
o-Succinylhomoserine
ME234684
439406
-
0.898
217.0573
ADP-GLUCOSE (M-H)
ADP-glucose
ME234633
16500
-
0.93
587.0652
URIC ACID (M-H)
Uric acid
ME234701
1175
-
0.988
166.0126
CITRIC ACID (M-H)
Citric acid
ME234642
311
-
1.014
190.0106
HYPOXANTHINE (M-H)
Hypoxanthine
ME234659
790
-
1.08
134.0222
PYROGLUTAMIC ACID (M-H)
Pyroglutamic acid
ME234691
7405
-
1.171
127.0265
XANTHINE (M-H)
Xanthine
ME234704
1188
-
1.259
150.017
SUCCINIC ACID (M-H)
Succinic acid
ME234694
1110
-
1.298
116.0105
L-TYROSINE (M-H)
Tyrosine
ME234672
6057
-
1.3
179.0575
URIDINE (M+Cl)
Uridine
ME234702
6029
-
1.305
314.0074
URIDINE (M-H)
Uridine
ME234703
6029
-
1.339
242.0533
CORTISONE (M+Cl)
Cortisone
ME234643
222786
-
13.514
430.1315
CITRAMALIC ACID (M-H)
Citramalic acid
ME234641
1081
-
1.386
146.0201
N-ACETYL-L-ALANINE (M-H)
N-Acetylalanine
ME234679
88064
-
1.481
129.0416
L-ISOLEUCINE (M-H)
Isoleucine
ME234667
6306
-
1.557
129.0779
DEOXYURIDINE (M+Cl)
Deoxyuridine
ME234647
13712
-
1.564
298.0112
THYROXINE (M+Cl)
Thyroxine
ME234698
5819
-
16.29
846.6236
THYROXINE (M-H)
Thyroxine
ME234699
5819
-
16.291
774.6704
2-HYDROXYBUTYRIC ACID (M-H)
2-Hydroxybutyric acid
ME234624
11266
-
1.76
102.0315
5-HYDROXY-L-TRYPTOPHAN (M-H)
5-Hydroxy-tryptophan
ME234629
439280
-
1.765
218.0674
INOSINE (M+Cl)
Inosine
ME234660
6021
-
1.832
338.0173
INOSINE (M-H)
Inosine
ME234661
6021
-
1.832
266.065
BILIVERDIN (M-H)
Biliverdin
ME234638
5280353
-
18.631
580.2318
4-PYRIDOXIC ACID (M-H)
4-Pyridoxic acid
ME234626
6723
-
1.881
181.0367
24-EPIBRASSINOLIDE (M+Cl)
24-epi-Brassinolide
ME234620
115196
-
19.932
550.2836
GLUTARIC ACID (M-H)
Glutaric acid
ME234654
743
-
2.066
130.0258
DEOXYCHOLIC ACID (2M-H)
Deoxycholic acid
ME234644
222528
-
21.675
391.2829
DEOXYCHOLIC ACID (M+Cl)
Deoxycholic acid
ME234645
222528
-
21.721
462.2316
DEOXYCHOLIC ACID (M-H)
Deoxycholic acid
ME234646
222528
-
21.733
390.277
DODECANOIC ACID (M-H)
Lauric acid
ME234650
3893
-
21.769
198.1612
L-KYNURENINE (M-H)
Kynurenine
ME234668
161166
-
2.177
206.0678
MYRISTOLEIC ACID (M-H)
Myristoleic acid
ME234678
5281119
-
22.065
224.1769
1-METHYLURIC ACID (M-H)
1-Methyluric acid
ME234618
69726
-
2.216
180.0269
LYSOPC(16:0) (M+Cl)
LPC 16:0
ME234674
460602
-
22.241
565.2712
MYRISTIC ACID (M-H)
Myristic acid
ME234677
11005
-
22.44
226.1927
ACETAMINOPHEN GLUCURONIDE (M-H)
p-Acetamidophenylglucuronide
ME234630
83944
-
2.248
325.0799
PALMITOLEIC ACID (M-H)
Palmitoleic acid
ME234688
445638
-
22.566
252.2089
LYSOPE(18:0/0:0) (M-H)
LPE 18:0/0:0
ME234675
9547068
-
22.649
479.302
DOCOSAHEXAENOIC ACID (M-H)
Docosahexaenoic acid
ME234649
445580
-
22.674
326.225
ARACHIDONIC ACID (M-H)
Arachidonic acid
ME234635
444899
-
22.689
302.225
LINOLEIC ACID (M-H)
Linoleic acid
ME234666
5280450
-
22.703
278.225
PALMITIC ACID (M-H)
Palmitic acid
ME234687
985
-
22.83
254.2247
HYODEOXYCHOLIC ACID (M-H)
Hyodeoxycholic acid
ME234658
227033
-
22.873
390.2795
OLEIC ACID (M-H)
Oleic acid
ME234683
445639
-
22.91
280.2406
HEPTADECANOIC ACID (M-H)
Margaric acid
ME234655
10465
-
22.996
268.2395
STEARIC ACID (M-H)
Stearic acid
ME234693
5281
-
23.182
282.256
EICOSENOIC ACID (M-H)
Eicosenoic acid
ME234652
3035221
-
23.257
308.271
ARACHIDIC ACID (M-H)
Arachidic acid
ME234634
10467
-
23.605
310.286
ERUCIC ACID (M-H)
cis-Erucic acid
ME234653
5281116
-
23.676
336.3023
BEHENIC ACID (M-H)
Behenic acid
ME234637
8215
-
24.135
338.3178
NERVONIC ACID (M-H)
Nervonic acid
ME234682
5281120
-
24.205
364.3335
TRICOSANOIC ACID (M-H)
Tricosylic acid
ME234700
17085
-
24.462
352.3334
1-METHYLXANTHINE (M-H)
1-Methylxanthine
ME234619
80220
-
2.451
164.0334
TETRACOSANOIC ACID (M-H)
Lignoceric acid
ME234696
11197
-
24.836
366.3494
L-PHENYLALANINE (M-H)
Phenylalanine
ME234669
6140
-
2.5
163.0629
PC(18:0/16:0) (M+Cl)
PC 18:0/16:0
ME234690
18631368
-
25.497
831.5378
SM(D18:1/24:0) (M+Cl)
SM 18:1;O2/24:0
ME234692
44260127
-
27.907
884.6281
PANTOTHENIC ACID (M-H)
Pantothenic acid
ME234689
6613
-
3.31
217.0945
2-HYDROXY-3-METHYLBUTYRIC ACID (M-H)
2-Hydroxy-3-methylbutyric acid
ME234623
99823
-
3.535
116.0472
ADIPIC ACID (M-H)
Adipic acid
ME234632
196
-
3.616
144.0416
L-TRYPTOPHAN-15N2 (M-H)
Tryptophan
ME234671
16217285
-
3.623
204.0683
L-TRYPTOPHAN (M-H)
Tryptophan
ME234670
6305
-
3.623
202.0741
HYDROXYPHENYLLACTIC ACID (M-H)
Hydroxyphenyllactic acid
ME234657
9378
-
3.88
180.0416
CIS-ZEATIN (M+Cl)
cis-Zeatin
ME234639
688597
-
3.892
289.0495
CIS-ZEATIN (M-H)
cis-Zeatin
ME234640
688597
-
3.892
217.096
5-HYDROXYINDOLEACETIC ACID (M-H)
5-Hydroxyindoleacetic acid
ME234628
1826
-
4.111
189.0448
1,7-DIMETHYLURIC ACID (M-H)
1,7-Dimethyluric acid
ME234617
91611
-
4.114
194.0424
3-METHYL-2-OXOVALERIC ACID (M-H)
3-Methyl-2-oxovaleric acid
ME234625
47
-
4.39
128.0473
THEOPHYLLINE (M-H)
Theophylline
ME234697
2153
-
4.48
178.048
KETOLEUCINE (M-H)
Ketoleucine
ME234663
70
-
4.8
128.0473
HIPPURIC ACID (M-H)
Hippuric acid
ME234656
464
-
4.868
177.0422
2-AMINOBENZOIC ACID (M-H)
2-Aminobenzoic acid
ME234621
227
-
5.413
136.0285
N-ACETYLLEUCINE (M-H)
N-Acetylleucine
ME234680
1995
-
7.262
171.0885
N-ACETYL-L-PHENYLALANINE (M-H)
N-Acetylphenylalanine
ME234681
74839
-
7.821
205.0732
ASPIRIN (M-H)
Aspirin
ME234636
2244
-
8.042
178.0276
Analysis: Other POSITIVE ION MODE
Select
Metabolite Name
RefMet Name/Standardized Name*
WorkBenchMetabolite_ID
PubChemCompound_ID
Kegg Id
Retentiontime/index
m/z ratio
SPERMIDINE (M+H)
Spermidine
ME234867
1102
-
0.485
147.1735
L-LYSINE (M+H)
Lysine
ME234806
5962
-
0.486
148.1214
ORNITHINE (M+H)
Ornithine
ME234852
6262
-
0.486
134.1054
SPERMINE (M+H)
Spermine
ME234868
1103
-
0.487
204.2317
L-LYSINE (M+Na)
Lysine
ME234807
5962
-
0.496
192.0851
N6,N6,N6-TRIMETHYL-L-LYSINE (M+Na)
N-6-Trimethyllysine
ME234838
440120
-
0.562
234.1317
L-ARGININE (M+Na)
Arginine
ME234790
6322
-
0.565
220.0909
N6,N6,N6-TRIMETHYL-L-LYSINE (M+H)
N-6-Trimethyllysine
ME234837
440120
-
0.568
190.168
L-ARGININE (M+H)
Arginine
ME234789
6322
-
0.576
176.1266
L-HISTIDINE (M+H)
Histidine
ME234800
6274
-
0.577
157.0839
L-GLUTAMINE (M+Na)
Glutamine
ME234799
5961
-
0.586
192.0478
CHOLINE (M-e)
Choline
ME234742
305
-
0.591
104.1067
METHIONINE SULFOXIMINE (M+Na)
Methionine sulfoximine
ME234829
16118
-
0.592
226.0379
PHOSPHORYLCHOLINE (M+H)
Choline phosphate
ME234856
1014
-
0.592
185.0834
L-CYSTATHIONINE (M+H)
Cystathionine
ME234792
439258
-
0.598
224.0831
L-GLUTAMIC ACID (M+H-H2O)
Glutamic acid
ME234798
33032
-
0.598
113.0466
GLYCEROPHOSPHOCHOLINE (M+H)
sn-Glycero-3-phosphocholine
ME234766
657272
-
0.605
259.1176
5-HYDROXYLYSINE (M+H)
5-Hydroxylysine
ME234722
3032849
-
0.607
164.117
L-CYSTATHIONINE (M+Na)
Cystathionine
ME234794
439258
-
0.607
268.0473
PIPERAZINE-2,5-DIONE (M+H)
Cyclo(Gly-Gly)
ME234858
7817
-
0.612
116.0585
CARNOSINE (M+H)
Carnosine
ME234739
439224
-
0.621
228.1214
N-ACETYLNEURAMINIC ACID (M+H)
N-Acetylneuraminic acid
ME234840
439197
-
0.621
311.1212
N-ACETYLNEURAMINIC ACID (M+Na)
N-Acetylneuraminic acid
ME234841
439197
-
0.621
355.086
CYTIDINE 2',3'-CYCLIC PHOSPHATE (M+H)
2',3' cyclic CMP
ME234749
192813
-
0.622
307.0554
L-CYSTINE (M+Na)
Cystine
ME234796
67678
-
0.626
286.0006
CREATINE (M+H)
Creatine
ME234747
586
-
0.632
133.0842
L-ALPHA-AMINOBUTYRIC ACID (M+H)
2S-Aminobutyric acid
ME234788
80283
-
0.632
105.0781
DIAMINOPIMELIC ACID (M+H-H2O)
2,6-Diaminopimelic acid
ME234759
439283
-
0.633
156.0877
L-PROLINE (M+Na)
Proline
ME234814
145742
-
0.636
161.0418
L-PROLINE (M+H)
Proline
ME234813
145742
-
0.637
117.0783
SUCROSE (M+Na)
Sucrose
ME234873
5988
-
0.639
388.0948
D-RIBOSE (M+Na)
Ribose
ME234761
10975657
-
0.641
196.0316
EPINEPHRINE (M+H-H2O)
Epinephrine
ME234764
5816
-
0.641
149.0816
RAFFINOSE (M+Na)
Raffinose
ME234863
439242
-
0.641
550.1473
2-DEOXYGLUCOSE (M+Na)
2-Deoxy-glucose
ME234715
71308134
-
0.645
210.0477
L-CARNITINE (M+H)
Carnitine
ME234791
10917
-
0.646
163.1202
L-CYSTATHIONINE (M+H-H2O)
Cystathionine
ME234793
439258
-
0.653
188.0598
CREATININE (M+H)
Creatinine
ME234748
588
-
0.654
115.0741
D-GLUCOSE (2M+Na)
Glucose
ME234755
5793
-
0.664
203.0536
CDP (M+H)
CDP
ME234740
6132
-
0.668
405.0284
D-GLUCOSE (M+Na)
Glucose
ME234756
5793
-
0.674
226.0433
L-CYSTINE (M+H)
Cystine
ME234795
67678
-
0.702
242.039
METHYL BETA-D-GLUCOPYRANOSIDE (M+Na)
Methyl glucose
ME234830
445238
-
0.771
240.0585
L-VALINE (M+Na)
Valine
ME234823
6287
-
0.845
163.0582
L-VALINE (M+H)
Valine
ME234822
6287
-
0.846
119.0949
GUANINE (M+H)
Guanine
ME234771
764
-
0.855
153.0652
L-ACETYLCARNITINE (M+H)
CAR 2:0
ME234787
1
-
0.887
205.1317
PIPECOLIC ACID (M+H)
Pipecolic acid
ME234857
849
-
0.901
131.0937
N-ACETYLSERINE (M+H-H2O)
N-Acetylserine
ME234842
65249
-
0.909
113.0482
DUMP (M+H)
dUMP
ME234762
65063
-
0.944
310.0593
L-THREONINE (M+H-H2O)
Threonine
ME234816
6288
-
0.946
85.0527
L-SERINE (M+H)
Serine
ME234815
5951
-
0.947
107.0576
L-METHIONINE (M+H)
Methionine
ME234808
6137
-
0.95
151.067
URIC ACID (M+H)
Uric acid
ME234882
1175
-
0.987
170.0446
HYPOXANTHINE (M+Na)
Hypoxanthine
ME234779
790
-
1.066
182.0181
HYPOXANTHINE (M+H)
Hypoxanthine
ME234778
790
-
1.078
138.0544
NIACINAMIDE (M+H)
Niacinamide
ME234843
936
-
1.081
124.0624
OMEPRAZOLE (M+H)
Omeprazole
ME234849
4594
-
11.203
347.1321
L-OCTANOYLCARNITINE (M+H)
CAR 8:0
ME234809
11953814
-
11.647
289.2268
PYROGLUTAMIC ACID (M+H)
Pyroglutamic acid
ME234861
7405
-
1.171
131.0588
OMEPRAZOLE SULFONE (M+H)
Omeprazole sulfone
ME234850
145900
-
12.406
363.1271
L-TYROSINE (M+H)
Tyrosine
ME234820
6057
-
1.3
183.0903
L-TYROSINE (M+Na)
Tyrosine
ME234821
6057
-
1.3
227.0539
URIDINE (M+Na)
Uridine
ME234884
6029
-
1.339
290.0499
URIDINE (M+H)
Uridine
ME234883
6029
-
1.34
246.0864
CITRAMALIC ACID (M+Na)
Citramalic acid
ME234746
1081
-
1.369
194.0173
CIS-4-DECENOYL CARNITINE (M+H)
CAR 10:1
ME234743
57357170
-
13.867
315.2424
DECANOYLCARNITINE (M+H)
CAR 10:0
ME234750
10245190
-
15.213
317.2583
L-ISOLEUCINE (M+Na)
Isoleucine
ME234803
6306
-
1.548
177.0743
L-ISOLEUCINE (M+H)
Isoleucine
ME234802
6306
-
1.558
133.1106
PROPIONYLCARNITINE (M+H)
CAR 3:0
ME234859
107738
-
1.609
219.1478
METHYL JASMONATE (M+Na)
Methyl jasmonate
ME234831
5281929
-
16.118
270.1224
TRANS-2-DODECENOYLCARNITINE (M-e)
CAR 12:1
ME234880
53481671
-
16.627
342.2654
PROSTAGLANDIN E2 (M+Na)
PGE2
ME234860
5280360
-
16.716
398.2099
DEOXYURIDINE (M+Na)
Deoxyuridine
ME234753
13712
-
1.677
274.0538
TESTOSTERONE (M+Na)
Testosterone
ME234875
6013
-
17.387
334.1865
2-HYDROXYBUTYRIC ACID (M+Na)
2-Hydroxybutyric acid
ME234717
11266
-
1.758
150.0271
SEROTONIN (M+H)
Serotonin
ME234864
5202
-
1.76
178.1107
INOSINE (M+Na)
Inosine
ME234783
6021
-
1.764
314.0617
5-HYDROXY-L-TRYPTOPHAN (M+H)
5-Hydroxy-tryptophan
ME234721
439280
-
1.77
222.1004
3, 5-TETRADECADIENCARNITINE (M-e)
CAR 14:2(3,5)
ME234718
53481681
-
17.707
368.2813
INDOLEACETALDEHYDE (M+H)
Indoleacetaldehyde
ME234781
800
-
1.771
161.0845
DODECANOYLCARNITINE (M+H)
CAR 12:0
ME234760
168381
-
17.785
345.2893
EPIANDROSTERONE (M+H-H2O)
Epiandrosterone
ME234763
441302
-
18.172
256.2184
INOSINE (M+H)
Inosine
ME234782
6021
-
1.829
270.0988
GUANOSINE (M+H)
Guanosine
ME234772
6802
-
1.831
285.1077
BILIVERDIN (M+H)
Biliverdin
ME234733
5280353
-
18.645
584.2644
BILIVERDIN (M+Na)
Biliverdin
ME234734
5280353
-
18.654
628.2338
GLUTARYLCARNITINE (M+H)
CAR DC5:0
ME234765
71317118
-
1.874
277.1539
GLYCOCHOLIC ACID (M+H-H2O)
Glycocholic acid
ME234770
10140
-
18.787
431.3009
CIS-5-TETRADECENOYLCARNITINE (M-e)
CAR 14:1
ME234744
22833575
-
18.805
370.2973
IBUPROFEN (M+Na)
Ibuprofen
ME234780
3672
-
18.982
252.1116
TETRADECANOYLCARNITINE (M+H)
CAR 14:0
ME234876
6426854
-
19.718
373.3204
24-EPIBRASSINOLIDE (M+H)
24-epi-Brassinolide
ME234711
115196
-
19.937
482.3624
24-EPIBRASSINOLIDE (M+Na)
24-epi-Brassinolide
ME234712
115196
-
19.937
526.3263
3-METHOXYTYROSINE (M+H)
3-Methoxytyrosine
ME234719
1670
-
1.998
213.1004
SPHINGOSINE (M+H-H2O)
Sphingosine
ME234871
5280335
-
20.24
265.2766
SPHINGOSINE (M+H)
Sphingosine
ME234870
5280335
-
20.241
301.2991
O-PALMITOLEOYLCARNITINE (M-e)
CAR 16:0
ME234851
71464547
-
20.267
398.3278
GLYCOCHENODEOXYCHOLIC ACID (M+H)
Glycochenodeoxycholic acid
ME234767
12544
-
20.421
451.3291
GLYCOCHENODEOXYCHOLIC ACID (M+H-H2O)
Glycochenodeoxycholic acid
ME234768
12544
-
20.423
415.309
GLYCOCHENODEOXYCHOLIC ACID (M+Na)
Glycochenodeoxycholic acid
ME234769
12544
-
20.424
495.2947
SPHINGANINE (M+H)
Sphinganine
ME234869
91486
-
20.668
303.3121
HOMOGENTISIC ACID (M+H)
Homogentisic acid
ME234776
780
-
2.076
170.0557
LEUKOTRIENE B4 (M+Na)
LTB4
ME234797
5280492
-
20.785
382.2097
LINOLEYL CARNITINE (M+H)
CAR 18:2
ME234801
6450015
-
20.802
425.3521
DELTA-VALEROLACTONE (M+H)
5-Valerolactone
ME234751
10953
-
2.084
102.0679
L-PALMITOYLCARNITINE (M+H)
CAR 16:0
ME234810
11953816
-
21.143
401.3521
OLEOYLCARNITINE (M+H)
CAR 18:1
ME234848
6441392
-
21.357
427.3679
(11Z,14Z)-EICOSADIENOYLCARNITINE (M+H)
CAR 20:2
ME234705
71464509
-
21.545
453.381
DEOXYCHOLIC ACID (M+Na)
Deoxycholic acid
ME234752
222528
-
21.668
438.2746
TAUROLITHOCHOLIC ACID (M+H)
Taurolithocholic acid
ME234874
439763
-
21.679
485.3227
STEAROYLCARNITINE (M+H)
CAR 18:0
ME234872
52922056
-
21.701
429.3825
L-KYNURENINE (M+Na)
Kynurenine
ME234805
161166
-
2.179
254.0638
L-KYNURENINE (M+H)
Kynurenine
ME234804
161166
-
2.182
210.1012
ARACHIDYL CARNITINE (M+H)
CAR 20:0
ME234730
53477833
-
22.008
457.4102
MONOMYRISTIN (M+H-H2O)
MG 14:0
ME234835
79050
-
22.134
268.2412
MONOMYRISTIN (M+Na)
MG 14:0
ME234836
79050
-
22.152
348.2258
LYSOPC(16:0) (M+Na)
LPC 16:0
ME234825
460602
-
22.245
541.3137
LYSOPC(16:0) (M+H)
LPC 16:0
ME234824
460602
-
22.255
497.3497
ACETAMINOPHEN GLUCURONIDE (M+Na)
p-Acetamidophenylglucuronide
ME234727
83944
-
2.246
373.0761
ACETAMINOPHEN GLUCURONIDE (M+H)
p-Acetamidophenylglucuronide
ME234726
83944
-
2.248
329.1127
OLEIC ACID (M+Na)
Oleic acid
ME234847
445639
-
22.535
328.2362
OLEAMIDE (M+H)
Oleamide
ME234845
5283387
-
22.597
283.2892
OLEAMIDE (M+Na)
Oleamide
ME234846
5283387
-
22.597
327.2534
LYSOPE(18:0/0:0) (M+Na)
LPE 18:0/0:0
ME234828
9547068
-
22.64
527.3012
LYSOPE(18:0/0:0) (M+H)
LPE 18:0/0:0
ME234827
9547068
-
22.642
483.3355
MG(0:0/18:1(9Z)/0:0) (M+H)
MG 0:0/18:1(9Z)/0:0
ME234832
5319879
-
22.694
358.3085
MG(0:0/18:1(9Z)/0:0) (M+H-H2O)
MG 18:1(9Z)
ME234833
5319879
-
22.697
322.2839
MG(0:0/18:1(9Z)/0:0) (M+Na)
MG 0:0/18:1(9Z)/0:0
ME234834
5319879
-
22.697
402.2743
CAPRIC ACID (2M+Na)
Capric acid
ME234738
2969
-
22.739
195.1359
25-HYDROXYCHOLESTEROL (M+H-H2O)
25-Hydroxycholesterol
ME234713
65094
-
22.79
368.3406
ALPHA-LINOLENIC ACID (M+Na)
alpha-Linolenic acid
ME234728
5280934
-
22.83
324.2036
LYSOPC(20:0) (M+H)
LPC 20:0
ME234826
24779473
-
22.965
553.4162
DI(2-ETHYLHEXYL)PHTHALATE (M+Na)
Bis(2-ethylhexyl)phthalate
ME234758
8343
-
23.079
436.2589
DI(2-ETHYLHEXYL)PHTHALATE (M+H)
Bis(2-ethylhexyl)phthalate
ME234757
8343
-
23.089
392.2954
DESMOSTEROL (M+H-H2O)
Desmosterol
ME234754
439577
-
24.208
350.3338
L-PHENYLALANINE (M+H)
Phenylalanine
ME234811
6140
-
2.425
167.0939
ALPHA-TOCOPHEROL (M+H)
alpha-Tocopherol
ME234729
14985
-
24.538
432.3974
CHOLESTEROL (M+H-H2O)
Cholesterol
ME234741
5997
-
24.619
352.3516
1-METHYLXANTHINE (M+H)
1-Methylxanthine
ME234709
80220
-
2.502
168.0655
1-METHYLXANTHINE (M+Na)
1-Methylxanthine
ME234710
80220
-
2.502
212.0288
PC(18:0/16:0) (M+H)
PC 18:0/16:0
ME234855
18631368
-
25.497
763.6119
L-PHENYLALANINE (M+Na)
Phenylalanine
ME234812
6140
-
2.575
211.0578
1,3-DIELAIDIN (M+Na)
DG 18:1(9E)/0:0/0:0/18:1(9E)
ME234707
5316908
-
26.948
666.5211
SM(D18:1/24:0) (M+H)
SM 18:1;O2/24:0
ME234865
44260127
-
27.88
816.7107
SM(D18:1/24:0) (M+Na)
SM 18:1;O2/24:0
ME234866
44260127
-
27.887
860.676
O-ISOBUTYRYL-L-CARNITINE (M+H)
CAR 3:0;2Me
ME234844
168379
-
2.79
233.1634
BUTYRYLCARNITINE (M+H)
CAR 4:0
ME234735
213144
-
2.889
233.1636
ACETAMINOPHEN (M+Na)
Acetaminophen
ME234725
1983
-
3.009
197.043
1-METHYLADENOSINE (M+H)
1-Methyladenosine
ME234708
27476
-
3.027
283.1291
ACETAMINOPHEN (M+H)
Acetaminophen
ME234724
1983
-
3.108
153.0791
PANTOTHENIC ACID (M+H)
Pantothenic acid
ME234853
6613
-
3.311
221.1276
PANTOTHENIC ACID (M+Na)
Pantothenic acid
ME234854
6613
-
3.311
265.0912
KETO-PANTOYLLACTONE (M+Na)
2-Dehydropantolactone
ME234786
39
-
3.439
174.028
THEOBROMINE (M+H)
Theobromine
ME234877
5429
-
3.51
182.0813
2-HYDROXY-3-METHYLBUTYRIC ACID (M+Na)
2-Hydroxy-3-methylbutyric acid
ME234716
99823
-
3.532
164.0428
L-TRYPTOPHAN (M+H)
Tryptophan
ME234817
6305
-
3.625
206.1066
L-TRYPTOPHAN (M+Na)
Tryptophan
ME234818
6305
-
3.625
250.0705
L-TRYPTOPHAN-15N2 (M+H)
Tryptophan
ME234819
16217285
-
3.626
208.1011
TRANS-CYCLOHEXANE-1,2-DIOL (M+Na)
trans-Cyclohexane-1,2-diol
ME234881
92886
-
3.768
162.0634
HYDROXYPHENYLLACTIC ACID (M+Na)
Hydroxyphenyllactic acid
ME234777
9378
-
3.873
228.0372
CIS-ZEATIN (M+H)
cis-Zeatin
ME234745
688597
-
3.891
221.1291
5-HYDROXYINDOLEACETIC ACID (M+Na)
5-Hydroxyindoleacetic acid
ME234720
1826
-
4.106
237.0408
THEOPHYLLINE (M+H)
Theophylline
ME234878
2153
-
4.29
182.0813
THEOPHYLLINE (M+Na)
Theophylline
ME234879
2153
-
4.346
226.0443
5'-METHYLTHIOADENOSINE (M+H)
5'-Methylthioadenosine
ME234723
439176
-
4.503
299.1073
ISOVALERYLCARNITINE (M+H)
CAR 4:0;3Me
ME234784
169235
-
4.569
247.1786
KETOLEUCINE (M+Na)
Ketoleucine
ME234785
70
-
4.801
176.043
HIPPURIC ACID (M+Na)
Hippuric acid
ME234775
464
-
4.864
225.0385
HIPPURIC ACID (M+H)
Hippuric acid
ME234774
464
-
4.867
181.0749
QUINOLINE-4-CARBOXYLIC ACID (M+H)
4-Quinolinecarboxylic acid
ME234862
10243
-
5.014
175.0633
2-AMINOBENZOIC ACID (M+H)
2-Aminobenzoic acid
ME234714
227
-
5.495
140.0624
CAFFEINE (M+H)
Caffeine
ME234736
2519
-
5.97
196.0987
CAFFEINE (M+Na)
Caffeine
ME234737
2519
-
5.971
240.0627
HEXANOYLCARNITINE (M-e)
CAR 6:0
ME234773
6426853
-
7.013
260.1872
N-ACETYLLEUCINE (M+Na)
N-Acetylleucine
ME234839
1995
-
7.263
219.0853
BENZYL METHYL SULFIDE (M+H)
Benzyl methyl sulfide
ME234731
13016
-
8.013
129.1152
BENZYL METHYL SULFIDE (M+Na)
Benzyl methyl sulfide
ME234732
13016
-
8.016
173.08
(2E)-OCTENOYLCARNITINE (M-e)
CAR 8:1
ME234706
71464472
-
9.52
286.2033
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