Log in
/
Register
Home
Overview
Upload / Manage Studies
Browse / Search Studies
Analyze Studies
Data Sharing Policy
Tutorials
FAQ
Data Repository
Overview
Upload / Manage Studies
Browse / Search Studies
Analyze Studies
Data Sharing Policy
Tutorials
FAQ
Databases
Overview
Metabolite Database
Human Metabolome Gene/Protein Database (MGP)
RefMet: Reference List of Metabolite Names
External Metabolomics Databases (Links)
Protocols
Overview
General Protocols
Study-specific Protocols
Tools
Overview
Load and analyze your own dataset
Analyze Studies
MS Searches
Structure drawing
REST Service
External Tools (Links)
About
Overview
Publishing Partners
How to Cite
How to Link
Terms of Use
Personnel
Contact
Sitemap
Search
Keyword Search
Advanced Searches
Return to study ST000841 main page
Analysis: C18 NEGATIVE ION MODE/QTOF
Select
Metabolite Name
RefMet Name/Standardized Name*
WorkBenchMetabolite_ID
PubChemCompound_ID
Kegg Id
Retentiontime/index
m/z ratio
ALPHA-HYDROXYISOBUTYRIC ACID (M-H)-
2-Hydroxyisobutyric acid
ME222711
11671
-
1.713
104.0474
GLYCERIC ACID (M-H)-
Glyceric acid
ME222691
439194
-
0.75
106.0266
FUMARIC ACID (2M-H)-
Fumaric acid
ME222728
444972
-
1.25
116.0108
FUMARIC ACID (M-H)-
Fumaric acid
ME222733
444972
-
1.25
116.0111
MALEIC ACID (M-H)-
Maleic acid
ME222729
444266
-
1.098
116.0111
SUCCINIC ACID (M-H)-
Succinic acid
ME222682
1110
-
1.302
118.0266
2-HYDROXY-3-METHYLBUTYRIC ACID (M-H)-
2-Hydroxy-3-methylbutyric acid
ME222660
853180
-
3.41
118.0627
BENZOIC ACID (M-H)-
Benzoic acid
ME222670
243
-
4.906
122.0366
5-OXOPROLINE (M-H)-
Pyroglutamic acid
ME222680
7405
-
1.164
129.0424
THYMINE-D4(METHYL-D3,6-D1) [ISTD] (M-H)-
-
ME222737
16213347
-
1.681
130.0678
N-ACETYL-L-ALANINE (M-H)-
N-Acetylalanine
ME222697
88064
-
1.493
131.0588
CREATINE (M-H)-
Creatine
ME222734
586
-
0.701
131.069
MALIC ACID (M-H)-
Malic acid
ME222703
222656
-
0.751
134.0217
MALIC ACID (M-H)+[-H2O]
Malic acid
ME222732
222656
-
0.75
134.0229
4-HYDROXYBENZOIC ACID (M-H)-
4-Hydroxybenzoic acid
ME222679
135
-
4.068
138.0315
SALICYLATE #2 (M-H)-
Salicylic acid
ME222712
338
-
8.134
138.0316
L-[15N]ANTHRANILIC ACID [ISTD] (M-H)-
2-Aminobenzoic acid
ME222705
227
-
5.287
138.0446
4-NITROPHENOL (M-H)-
4-Nitrophenol
ME222695
980
-
6.991
139.0267
ALPHA-KETO-GLUTARIC ACID (M-H)-
2-Oxoglutaric acid
ME222724
51
-
0.91
146.0215
ADIPIC ACID (M-H)-
Adipic acid
ME222671
196
-
3.578
146.0582
CITRAMALIC ACID (M-H)-
Citramalic acid
ME222667
441696
-
1.383
148.0366
MANDELIC ACID #2 (M-H)-
Mandelic acid
ME222700
11914
-
8.648
152.0475
2-OXOADIPIC ACID (M-H)-
Oxoadipic acid
ME222725
71
-
1.332
160.0368
3-HYDROXY-3-METHYLGLUTARIC ACID (M-H)-
3-Hydroxymethylglutaric acid
ME222718
1662
-
1.58
162.0516
2-DEOXY-D-GLUCOSE (M+Cl)-
2-Deoxy-glucose
ME222715
439268
-
0.736
164.0686
PHENYLALANINE (M-H)-
Phenylalanine
ME222665
6140
-
2.486
165.0785
PHTHALIC ACID (M-H)-
Phthalic acid
ME222716
1017
-
4.722
166.0256
3-METHYLXANTHINE (M-H)-
3-Methylxanthine
ME222722
70639
-
2.436
166.0494
URIC ACID (M-H)-
Uric acid
ME222702
1175
-
1.041
168.0274
3-DEHYDROSHIKIMIC ACID (M-H)-
3-Dehydroshikimate
ME222730
439774
-
1.022
172.0355
TRANS-ACONITIC ACID (M-H)-
trans-Aconitic acid
ME222685
444212
-
1.125
174.0166
SUBERIC ACID (M-H)-
Suberic acid
ME222658
10457
-
8.145
174.0884
TRICARBALLYLIC ACID (M-H)-[-H2O]
1,2,3-Propanetricarboxylic acid
ME222707
14925
-
1.349
176.0319
THEOPHYLLINE (M-H)-
Theophylline
ME222661
2153
-
4.4
180.0631
TYROSINE (M-H)-
Tyrosine
ME222669
6057
-
1.357
181.0718
3-(4-HYDROXYPHENYL)LACTIC ACID (M-H)-
Hydroxyphenyllactic acid
ME222720
440177
-
3.755
182.0578
AZELAIC ACID (M-H)-
Azelaic acid
ME222694
2266
-
10.635
188.1046
CITRIC ACID (M-H)-
Citric acid
ME222681
311
-
1.018
192.0269
ISOCITRIC ACID (M-H)-
Isocitric acid
ME222719
5318532
-
0.748
192.0269
GLUCONIC ACID (M-H)-
Gluconic acid
ME222721
10690
-
0.765
196.0571
LAURIC ACID (M-H)-
Lauric acid
ME222696
3893
-
21.741
200.1771
L-TRYPTOPHAN-15N2 [ISTD] (M-H)-
Tryptophan
ME222686
16217285
-
3.607
206.0838
PHOSPHOCREATINE (M-H)-
Phosphocreatine
ME222735
9548602
-
0.835
211.036
PANTOTHENIC ACID (M+Cl)-
Pantothenic acid
ME222662
6613
-
3.196
219.1105
PANTOTHENIC ACID (M-H)-
Pantothenic acid
ME222708
6613
-
3.197
219.1106
ZEATIN [ISTD] (M+Cl)-
trans-Zeatin
ME222701
449093
-
3.875
219.112
CARNOSINE (M-H)-
Carnosine
ME222723
439224
-
0.629
226.1065
MYRISTIC ACID (M-H)-
Myristic acid
ME222668
11005
-
22.453
228.2088
URIDINE (M-H)-
Uridine
ME222683
6029
-
1.37
244.0692
URIDINE (M+Cl)-
Uridine
ME222710
6029
-
1.37
244.0697
PALMITOLEIC ACID (M-H)-
Palmitoleic acid
ME222704
445638
-
22.591
254.2246
PALMITIC ACID (M-H)-
Palmitic acid
ME222698
985
-
22.852
256.2406
INOSINE (M+Cl)-
Inosine
ME222689
6021
-
1.82
268.0808
INOSINE (M-H)-
Inosine
ME222690
6021
-
1.82
268.0808
HEPTADECANOIC ACID (M-H)-
Margaric acid
ME222673
10465
-
23.011
270.2556
ALPHA-LINOLENIC ACID (M+HCOO)-
alpha-Linolenic acid
ME222693
5280934
-
22.852
278.2222
LINOLEIC ACID (M-H)-
Linoleic acid
ME222709
5280450
-
22.723
280.2407
TRANS-VACCENIC ACID (M-H)-
trans-Vaccenic acid
ME222692
5281127
-
22.93
282.2565
STEARIC ACID (M-H)-
Stearic acid
ME222672
5281
-
23.18
284.272
5'-METHYLTHIOADENOSINE (M+Cl)-
5'-Methylthioadenosine
ME222726
439176
-
4.458
297.0889
RETINOIC ACID (M-H)-
Retinoic acid
ME222699
444795
-
22.269
300.2105
ARACHIDONIC ACID (M-H)-
Arachidonic acid
ME222657
444899
-
22.709
304.2405
CIS-11-EICOSENOIC ACID (M-H)-
cis-Gondoic acid
ME222663
5282768
-
23.252
310.287
PHYTANIC ACID (M-H)-
Phytanic acid
ME222659
10380830
-
23.257
312.3019
ARACHIDIC ACID (M-H)-
Arachidic acid
ME222684
10467
-
23.575
312.3028
DOCOSAHEXAENOIC ACID (M-H)-
Docosahexaenoic acid
ME222687
445580
-
22.696
328.2404
CIS-7,10,13,16-DOCOSATETRAENOIC ACID (M+HCOO)-
Adrenic acid
ME222736
5497181
-
23.254
332.2735
ERUCIC ACID (M-H)-
cis-Erucic acid
ME222666
5281116
-
23.646
338.3185
BEHENIC ACID (M-H)-
Behenic acid
ME222714
8215
-
24.062
340.3331
INOSINE 5'-PHOSPHATE (M-H)-
IMP
ME222674
8582
-
0.987
348.0475
TRICOSANOIC ACID (M-H)-
Tricosylic acid
ME222677
17085
-
24.356
354.3494
OLEOYL-GLYCEROL (M+HCOO)-
MG 18:1
ME222706
5319879
-
22.658
356.2926
CORTISONE (M+Cl)-
Cortisone
ME222675
222786
-
13.305
360.1921
CORTISOL (M+HCOO)-
Cortisol
ME222713
5754
-
13.722
362.2086
NERVONIC ACID (M-H)-
Nervonic acid
ME222678
5281120
-
24.133
366.3488
LIGNOCERIC ACID (M-H)-
Lignoceric acid
ME222676
11197
-
24.704
368.3652
18:0 LYSO-PE (M-H)-
LPE 18:0
ME222664
9547068
-
22.687
481.3176
16:0 LYSO PC (M+HCOO)-
LPC 16:0
ME222688
460602
-
22.251
495.3323
GLUTATHIONE (OXIDIZED) (M-H)-
Glutathione
ME222727
65359
-
1.361
612.1519
NAD (M-H)-
NAD
ME222731
5893
-
1.034
663.1092
PYRUVIC ACID (M-H)-
Pyruvic acid
ME222717
1060
-
0.742
88.0163
Analysis: C18 POSITIVE ION MODE/QTOF
Select
Metabolite Name
RefMet Name/Standardized Name*
WorkBenchMetabolite_ID
PubChemCompound_ID
Kegg Id
Retentiontime/index
m/z ratio
HISTAMINE (M+Na)+
Histamine
ME222794
774
-
0.573
111.0796
HISTAMINE (M+H)+
Histamine
ME222796
774
-
0.555
111.0799
PROLINE (M+H)+
Proline
ME222767
145742
-
0.711
115.0629
5-AMINOPENTANOIC ACID (M+H)+
5-Aminopentanoic acid
ME222806
138
-
0.736
117.0783
VALINE (M+H)+
Valine
ME222740
6287
-
0.91
117.0789
NICOTINAMIDE (M+H)+
Niacinamide
ME222760
936
-
1.103
122.0479
3-METHYLHISTAMINE (M+H)+
3-Methylhistamine
ME222791
69520
-
0.564
125.0941
N-CYCLOHEXYLFORMAMIDE (M+H)+
N-Cyclohexylformamide
ME222772
13017
-
7.811
127.1006
FLUCYTOSINE (M+H)+
Flucytosine
ME222755
3366
-
0.652
129.0349
CREATINE (M+H)+
Creatine
ME222793
586
-
0.696
131.0688
LEUCINE (M+H)+
Leucine
ME222741
6106
-
1.52
131.0948
HYPOXANTHINE (M+H)+
Hypoxanthine
ME222785
790
-
1.021
136.0385
3-DEHYDROXYCARNITINE (M+H)+
3-Dehydroxycarnitine
ME222795
725
-
0.7
145.1089
ADIPIC ACID (M+Na)+
Adipic acid
ME222763
196
-
3.483
146.0585
LYSINE (M+H)+
Lysine
ME222776
5962
-
0.562
146.1055
N-ACETYL-DL-SERINE (M+H)+[-H2O]
N-Acetylserine
ME222778
65249
-
0.827
147.0534
METHIONINE (M+H)+
Methionine
ME222779
6137
-
1.012
149.0506
GUANINE (M+H)+
Guanine
ME222810
764
-
0.916
151.0489
L-HISTIDINE (M+H)+
Histidine
ME222789
6274
-
0.625
155.068
L-HISTIDINE (M+Na)+
Histidine
ME222790
6274
-
0.627
155.0685
CARNITINE (M+H)+
Carnitine
ME222788
10917
-
0.681
161.104
PHENYLALANINE (M+H)+
Phenylalanine
ME222787
6140
-
2.528
165.079
NORADRENALINE (M+H)+[-H2O]
Xi-Norepinephrine
ME222799
951
-
0.669
169.0728
SUBERIC ACID (M+Na)+
Suberic acid
ME222777
10457
-
8.162
174.0915
CITRULLINE (M+Na)+
Citrulline
ME222809
9750
-
0.63
175.0962
THEOBROMINE (M+H)+
Theobromine
ME222751
5429
-
3.481
180.0656
TYROSINE (M+H)+
Tyrosine
ME222761
6057
-
1.348
181.0738
AZELAIC ACID (M+Na)+
Azelaic acid
ME222749
2266
-
10.654
188.1067
N-ALPHA-ACETYL-L-LYSINE (M+H)+
N(2)-Acetyllysine
ME222797
92907
-
0.721
188.1179
ACETYLCARNITINE (M+H)+
CAR 2:0
ME222784
18230
-
0.978
203.1151
L-TRYPTOPHAN-15N2 [ISTD] (M+H)+
Tryptophan
ME222771
16217285
-
3.606
206.0847
KYNURENINE (M+H)+
Kynurenine
ME222753
161166
-
2.204
208.0808
PHOSPHOCREATINE (M+H)+
Phosphocreatine
ME222811
9548602
-
0.881
211.0352
PROPIONYLCARNITINE (*) (M+H)+
CAR 3:0
ME222774
107738
-
1.673
217.1316
PANTOTHENIC ACID (M+H)+
Pantothenic acid
ME222756
6613
-
3.202
219.1114
ZEATIN [ISTD] (M+H)+
trans-Zeatin
ME222750
449093
-
3.881
219.113
CARNOSINE (M+Na)+
Carnosine
ME222744
439224
-
0.632
226.1035
CARNOSINE (M+H)+
Carnosine
ME222808
439224
-
0.634
226.1044
NAPROXEN (M+H)+
Naproxen
ME222757
156391
-
15.701
230.0945
ISO-BUTYRYLCARNITINE (*) (M+H)+
CAR 3:0;2Me
ME222738
168379
-
2.912
231.1475
BETA-ALANYL-N(PAI)-METHYL-L-HISTIDINE (M+H)+
Anserine
ME222802
112072
-
0.632
240.119
ISOVALERYLCARNITINE (*) (M+H)+
CAR 4:0;3Me
ME222743
169235
-
4.583
245.1629
SN-GLYCERO-3-PHOSPHOCHOLINE (M+H)+
sn-Glycero-3-phosphocholine
ME222766
439285
-
0.681
257.1025
HEXANOYLCARNITINE (*) M+
CAR 6:0
ME222782
3246939
-
7.06
260.1885
INOSINE (M+Na)+
Inosine
ME222775
6021
-
1.734
268.0813
OLEAMIDE (M+H)+
Oleamide
ME222762
5283387
-
22.622
281.2709
OLEAMIDE (M+Na)+
Oleamide
ME222792
5283387
-
22.623
281.2724
GUANOSINE (M+H)+
Guanosine
ME222801
6802
-
1.833
283.0927
OCTENOYLCARNITINE (*) M+
CAR 8:1
ME222745
71464472
-
9.587
286.2027
OPHTHALMIC ACID (M+H)+
Ophthalmic acid
ME222804
7018721
-
1.208
289.1262
5ALPHA-ANDROSTANE-3ALPHA,17BETA-DIOL (M+Na)+
3alpha-Androstanediol
ME222813
15818
-
19.418
292.2412
5'-METHYLTHIOADENOSINE (M+H)+
5'-Methylthioadenosine
ME222803
439176
-
4.463
297.0902
GLYCEROL MYRISTATE (M+Na)+
MG 14:0
ME222773
79050
-
22.145
302.2448
3',5'-CYCLIC AMP (M+H)+
3',5' cyclic AMP
ME222814
6076
-
1.921
329.0537
DODECENOYLCARNITINE (*) II M+
CAR 12:1
ME222758
53481671
-
16.723
342.2637
INOSINE 5'-PHOSPHATE (M+Na)+
IMP
ME222746
8582
-
0.986
348.0468
INOSINE 5'-PHOSPHATE (M+H)+
IMP
ME222742
8582
-
0.992
348.047
OLEOYL-GLYCEROL (M+H)+
MG 18:1
ME222770
5319879
-
22.675
356.2903
OLEOYL-GLYCEROL (M+Na)+
MG 18:1
ME222780
5319879
-
22.713
356.2933
3-HYDROXYLAUROYLCARNITINE (*) (M+H)+
CAR 12:0;OH
ME222783
71464535
-
15.999
359.2677
CORTISOL (M+Na)+
Cortisol
ME222759
5754
-
13.739
362.2047
TETRADECENOYLCARNITINE (*) M+
CAR 14:1
ME222765
22833575
-
18.839
370.2964
S-ADENOSYL-L-HOMOCYSTEINE (M+H)+
S-Adenosylhomocysteine
ME222769
439155
-
1.551
384.1237
DESMOSTEROL (M+H)+[-H2O]
Desmosterol
ME222739
439577
-
24.234
384.339
CHOLESTEROL (M+H)+[-H2O]
Cholesterol
ME222747
5997
-
24.542
386.3551
BIS(2-ETHYLHEXYL)PHTHALIC ACID (M+Na)+
bis(2-Ethylhexyl)phthalic acid
ME222754
8343
-
23.106
390.278
EICOSADIENOYLCARNITINE (*) (M+H)+
CAR 20:2
ME222812
71464509
-
21.461
451.3592
EICOSANOYLCARNITINE (*) (M+H)+
CAR 20:0
ME222752
53477833
-
22.067
455.3973
18:0 LYSO-PE (M+H)+
LPE 18:0
ME222807
9547068
-
22.689
481.3214
18:0 LYSO-PE (M+Na)+
LPE 18:0
ME222798
9547068
-
22.69
481.3249
16:0 LYSO PC (M+H)+
LPC 16:0
ME222748
460602
-
22.252
495.3327
16:0 LYSO PC (M+Na)+
LPC 16:0
ME222786
460602
-
22.266
495.3334
DIPALMITOYL-GLYCEROL (M+H)+[-H2O]
DG 16:0_16:0
ME222768
644078
-
26.061
568.5064
DIPALMITOYL-GLYCEROL (M+Na)+
DG 16:0_16:0
ME222764
644078
-
26.06
568.5075
TRIMETHYLAMINE (M+H)+
Trimethylamine
ME222800
1146
-
0.717
59.0732
GLUTATHIONE OXIDIZED (M+H2)+2
Glutathione
ME222805
65359
-
1.356
612.1534
NAD (M+H)+
NAD
ME222781
5893
-
1.03
663.1081
Analysis: C18 NEGATIVE ION MODE/Triple TOF
Select
Metabolite Name
RefMet Name/Standardized Name*
WorkBenchMetabolite_ID
PubChemCompound_ID
Kegg Id
Retentiontime/index
m/z ratio
FFA(16:0)
Palmitic acid
ME222838
-
-
2.18
255.2329
FFA(18:2)
Octadecadienoic acid
ME222841
-
-
1.84
279.2329
FFA(18:1)
Octadecenoic acid
ME222840
-
-
2.4
281.2486
FFA(18:0)
Stearic acid
ME222839
5281
-
3.13
283.2642
Arachidonic acid
Arachidonic acid
ME222815
444899
-
1.76
303.2329
FFA(20:2)
Eicosadienoic acid
ME222844
-
-
2.64
307.2642
FFA(20:1)
Heneicosenoic acid
ME222843
-
-
3.3
309.2799
FFA(20:0)
Arachidic acid
ME222842
10467
-
4.17
311.2955
FFA(22:3)
Docosatrienoic acid
ME222848
-
-
2.99
333.2799
FFA(22:2)
Docosadienoic acid
ME222847
-
-
3.59
335.2955
FFA(22:1)
Docosenoic acid
ME222846
-
-
4.28
337.3112
FFA(22:0)
Behenic acid
ME222845
8215
-
5.17
339.3268
FFA(24:3)
Tetracosatrienoic acid
ME222852
52921854
-
3.99
361.3112
FFA(24:2)
Tetracosadienoic acid
ME222851
-
-
4.57
363.3268
FFA(24:1)
Tetracosenoic acid
ME222850
-
-
5.22
365.3425
FFA(24:0)
Lignoceric acid
ME222849
11197
-
6.07
367.3581
lysoPE 18:1; [M-H]-@1.75
LPE 18:1
ME222949
-
-
1.75
478.2934
lysoPE 20:3; [M-H]-@1.61
LPE 20:3
ME222950
-
-
1.61
502.2934
lysoPE 22:6; [M-H]-@1.29
LPE 22:6
ME222952
-
-
1.29
524.2777
lysoPE 22:5; [M-H]-@1.72
LPE 22:5
ME222951
-
-
1.72
526.2934
PC 19:2; [M-Ac-H]-@1.32
PC 19:2
ME222859
-
-
1.32
606.3407
CerP 34:1; [M-H]-@5.84
CerP 34:1;O2
ME222834
-
-
5.84
616.4706
plasmenyl-PE 28:0; [M-H]-@5.79
PE P-28:0
ME222953
-
-
5.79
618.4499
CerP 35:1; [M-H]-@6.15
CerP 35:1;O2
ME222835
-
-
6.15
630.4863
plasmenyl-PE 30:0; [M-H]-@6.45
PE P-30:0
ME222954
-
-
6.45
646.4812
PE 30:0; [M-H]-@6.08
PE 30:0
ME222885
-
-
6.08
662.4761
PA 34:2; [M-H]-@6.21
PA 34:2
ME222853
-
-
6.21
671.4652
plasmenyl-PE 32:0; [M-H]-@7.07
PE P-32:0
ME222955
-
-
7.07
674.5124
PA 35:1; [M-H]-@6.16
PA 35:1
ME222854
-
-
6.16
687.4965
CL 66:1; [M-2H](2-)@6.22
CL 66:1
ME222816
-
-
6.22
688.4861
PE 32:1; [M-H]-@6.21
PE 32:1
ME222887
-
-
6.21
688.4917
plasmenyl-PE 33:0; [M-H]-@7.21
PE P-33:0
ME222956
-
-
7.21
688.5281
PE 32:0; [M-H]-@6.68
PE 32:0
ME222886
-
-
6.68
690.5074
plasmenyl-PE 34:3; [M-H]-@6.31
PE P-34:3
ME222959
-
-
6.31
696.4968
PA 36:3; [M-H]-@6.18
PA 36:3
ME222856
-
-
6.18
697.4808
plasmenyl-PE 34:2; [M-H]-@6.67
PE P-34:2
ME222958
-
-
6.67
698.5124
PA 36:2; [M-H]-@6.86
PA 36:2
ME222855
-
-
6.86
699.4965
PE 33:2; [M-H]-@6.08
PE 33:2
ME222888
-
-
6.08
700.4917
plasmenyl-PE 34:0; [M-H]-@7.61
PE P-34:0
ME222957
-
-
7.61
702.5438
CL 70:7; [M-2H](2-)@8.87
CL 70:7
ME222820
-
-
8.87
710.4705
PE 34:4; [M-H]-@5.70
PE 34:4
ME222891
-
-
5.7
710.4761
CL 70:6; [M-2H](2-)@9.10
CL 70:6
ME222819
-
-
9.1
711.4783
CL 70:5; [M-2H](2-)@5.92
CL 70:5
ME222818
-
-
5.92
712.4861
PE 34:3; [M-H]-@5.98
PE 34:3
ME222890
-
-
5.98
712.4917
PA 37:2; [M-H]-@6.37
PA 37:2
ME222857
-
-
6.37
713.5121
plasmenyl-PE 35:1; [M-H]-@7.45
PE P-35:1
ME222960
-
-
7.45
714.5438
CL 70:1; [M-2H](2-)@6.02
CL 70:1
ME222817
-
-
6.02
716.5174
PE 34:0; [M-H]-@6.53
PE 34:0
ME222889
-
-
6.53
718.5387
PA 38:6; [M-H]-@6.09
PA 38:6
ME222858
-
-
6.09
719.4652
PG 32:0; [M-H]-@5.80
PG 32:0
ME222915
-
-
5.8
721.5019
CL 72:9; [M-2H](2-)@8.79
CL 72:9
ME222825
-
-
8.79
722.4705
CL 72:8; [M-2H](2-)@8.94
CL 72:8
ME222824
-
-
8.94
723.4783
CL 72:7; [M-2H](2-)@9.15
CL 72:7
ME222823
-
-
9.15
724.4861
PE 35:4; [M-H]-@6.06
PE 35:4
ME222895
-
-
6.06
724.4917
plasmenyl-PE 36:3; [M-H]-@6.91
PE P-36:3
ME222963
-
-
6.91
724.5281
CL 72:6; [M-2H](2-)@9.35
CL 72:6
ME222822
-
-
9.35
725.4939
CL 72:5; [M-2H](2-)@9.51
CL 72:5
ME222821
-
-
9.51
726.5018
PE 35:3; [M-H]-@6.22
PE 35:3
ME222894
-
-
6.22
726.5074
plasmenyl-PE 36:2; [M-H]-@7.29
PE P-36:2
ME222962
-
-
7.29
726.5438
CerP 42:2; [M-H]-@7.66
CerP 42:2;O2
ME222837
-
-
7.66
726.5801
CerP 42:1; [M-H]-@8.17
CerP 42:1;O2
ME222836
-
-
8.17
728.5958
PE 35:1; [M-H]-@7.12
PE 35:1
ME222893
-
-
7.12
730.5387
plasmenyl-PE 36:0; [M-H]-@8.10
PE P-36:0
ME222961
-
-
8.1
730.5751
PE 35:0; [M-H]-@7.56
PE 35:0
ME222892
-
-
7.56
732.5543
PG 33:0; [M-H]-@6.09
PG 33:0
ME222916
-
-
6.09
735.5176
CL 74:9; [M-2H](2-)@9.04
CL 74:9
ME222829
-
-
9.04
736.4861
PE 36:5; [M-H]-@5.95
PE 36:5
ME222898
-
-
5.95
736.4917
PC 28:0; [M-Ac-H]-@5.21
PC 28:0
ME222860
-
-
5.21
736.5129
CL 74:8; [M-2H](2-)@9.20
CL 74:8
ME222828
-
-
9.2
737.4939
CL 74:7; [M-2H](2-)@6.10
CL 74:7
ME222827
-
-
6.1
738.5018
PE 36:3; [M-H]-@6.52
PE 36:3
ME222897
-
-
6.52
740.5231
PE 36:2; [M-H]-@6.97
PE 36:2
ME222896
-
-
6.97
742.5387
CL 74:1; [M-2H](2-)@6.67
CL 74:1
ME222826
-
-
6.67
744.5487
PG 34:2; [M-H]-@5.46
PG 34:2
ME222918
-
-
5.46
745.5019
plasmenyl-PE 38:6; [M-H]-@6.54
PE P-38:6
ME222965
-
-
6.54
746.5124
PG 34:1; [M-H]-@5.84
PG 34:1
ME222917
-
-
5.84
747.5176
plasmenyl-PE 38:5; [M-H]-@6.75
PE P-38:5
ME222964
-
-
6.75
748.5281
PE 37:5; [M-H]-@5.71
PE 37:5
ME222900
-
-
5.71
750.5074
CL 76:7; [M-2H](2-)@6.70
CL 76:7
ME222830
-
-
6.7
752.5174
PE 37:2; [M-H]-@7.16
PE 37:2
ME222899
-
-
7.16
756.5543
PS 34:2; [M-H]-@5.36
PS 34:2
ME222937
-
-
5.36
758.4972
PC 30:2; [M-Ac-H]-@4.87
PC 30:2
ME222861
-
-
4.87
760.5129
PG 35:1; [M-H]-@6.13
PG 35:1
ME222919
-
-
6.13
761.5333
PE 38:6; [M-H]-@6.07
PE 38:6
ME222905
-
-
6.07
762.5074
PE 38:5; [M-H]-@6.49
PE 38:5
ME222904
-
-
6.49
764.5231
CL 78:5; [M-2H](2-)@6.38
CL 78:5
ME222832
-
-
6.38
768.5487
PE 38:3; [M-H]-@7.22
PE 38:3
ME222903
-
-
7.22
768.5543
PG 36:4; [M-H]-@4.95
PG 36:4
ME222923
-
-
4.95
769.5019
CL 78:3; [M-2H](2-)@6.10
CL 78:3
ME222831
-
-
6.1
770.5644
PE 38:2; [M-H]-@6.83
PE 38:2
ME222902
-
-
6.83
770.57
PG 36:3; [M-H]-@5.30
PG 36:3
ME222922
-
-
5.3
771.5176
PE 38:1; [M-H]-@7.89
PE 38:1
ME222901
-
-
7.89
772.5856
PG 36:2; [M-H]-@6.13
PG 36:2
ME222921
-
-
6.13
773.5333
plasmenyl-PE 40:6; [M-H]-@7.17
PE P-40:6
ME222967
-
-
7.17
774.5438
plasmenyl-PE 40:5; [M-H]-@7.42
PE P-40:5
ME222966
-
-
7.42
776.5594
PG 36:0; [M-H]-@6.93
PG 36:0
ME222920
-
-
6.93
777.5646
PC 31:0; [M-Ac-H]-@6.18
PC 31:0
ME222862
-
-
6.18
778.5598
PE 39:4; [M-H]-@7.12
PE 39:4
ME222906
-
-
7.12
780.5543
PS 36:3; [M-H]-@5.54
PS 36:3
ME222940
-
-
5.54
784.5129
PE 40:8; [M-H]-@5.85
PE 40:8
ME222910
-
-
5.85
786.5074
PS 36:2; [M-H]-@6.01
PS 36:2
ME222939
-
-
6.01
786.5285
CL 82:13; [M-2H](2-)@6.29
CL 82:13
ME222833
-
-
6.29
788.5174
PE 40:7; [M-H]-@6.36
PE 40:7
ME222909
-
-
6.36
788.5231
PC 32:2; [M-Ac-H]-@5.54
PC 32:2
ME222864
-
-
5.54
788.5442
PS 36:1; [M-H]-@6.43
PS 36:1
ME222938
-
-
6.43
788.5442
PC 32:1; [M-Ac-H]-@6.05
PC 32:1
ME222863
-
-
6.05
790.5598
PG 38:5; [M-H]-@5.50
PG 38:5
ME222924
-
-
5.5
795.5176
PE 40:3; [M-H]-@7.05
PE 40:3
ME222908
-
-
7.05
796.5856
PE 40:2; [M-H]-@8.09
PE 40:2
ME222907
-
-
8.09
798.6013
PC 33:3; [M-Ac-H]-@5.51
PC 33:3
ME222865
-
-
5.51
800.5442
plasmenyl-PE 42:6; [M-H]-@7.73
PE P-42:6
ME222970
-
-
7.73
802.5751
plasmenyl-PE 42:5; [M-H]-@7.86
PE P-42:5
ME222969
-
-
7.86
804.5907
plasmenyl-PE 42:4; [M-H]-@8.03
PE P-42:4
ME222968
-
-
8.03
806.6064
PS 38:5; [M-H]-@5.57
PS 38:5
ME222943
-
-
5.57
808.5129
PS 38:4; [M-H]-@6.01
PS 38:4
ME222942
-
-
6.01
810.5285
PS 38:3; [M-H]-@6.22
PS 38:3
ME222941
-
-
6.22
812.5442
PC 34:2; [M-Ac-H]-@6.19
PC 34:2
ME222866
-
-
6.19
816.5754
PE 42:4; [M-H]-@8.06
PE 42:4
ME222913
-
-
8.06
822.6013
PE 42:2; [M-H]-@8.55
PE 42:2
ME222912
-
-
8.55
826.6326
PE 42:1; [M-H]-@8.83
PE 42:1
ME222911
-
-
8.83
828.6483
PS 40:8; [M-H]-@4.98
PS 40:8
ME222948
-
-
4.98
830.4972
PS 40:7; [M-H]-@5.45
PS 40:7
ME222947
-
-
5.45
832.5129
PC 35:1; [M-Ac-H]-@6.95
PC 35:1
ME222867
-
-
6.95
832.6068
PI 34:2; [M-H]-@5.30
PI 34:2
ME222926
-
-
5.3
833.518
PS 40:6; [M-H]-@5.88
PS 40:6
ME222946
-
-
5.88
834.5285
PI 34:1; [M-H]-@5.71
PI 34:1
ME222925
-
-
5.71
835.5337
PS 40:5; [M-H]-@6.12
PS 40:5
ME222945
-
-
6.12
836.5442
PS 40:4; [M-H]-@6.43
PS 40:4
ME222944
-
-
6.43
838.5598
PC 36:3; [M-Ac-H]-@6.32
PC 36:3
ME222869
-
-
6.32
842.5911
PC 36:0; [M-Ac-H]-@7.72
PC 36:0
ME222868
-
-
7.72
848.6381
PC 37:6; [M-Ac-H]-@5.79
PC 37:6
ME222874
-
-
5.79
850.5598
PE 44:4; [M-H]-@8.52
PE 44:4
ME222914
-
-
8.52
850.6326
PC 37:5; [M-Ac-H]-@5.98
PC 37:5
ME222873
-
-
5.98
852.5754
PC 37:4; [M-Ac-H]-@6.49
PC 37:4
ME222872
-
-
6.49
854.5911
PC 37:3; [M-Ac-H]-@6.70
PC 37:3
ME222871
-
-
6.7
856.6068
PI 36:4; [M-H]-@5.26
PI 36:4
ME222930
-
-
5.26
857.518
PC 37:2; [M-Ac-H]-@7.10
PC 37:2
ME222870
-
-
7.1
858.6224
PI 36:3; [M-H]-@5.43
PI 36:3
ME222929
-
-
5.43
859.5337
PI 36:2; [M-H]-@5.92
PI 36:2
ME222928
-
-
5.92
861.5493
PC 38:7; [M-Ac-H]-@5.51
PC 38:7
ME222876
-
-
5.51
862.5598
PI 36:1; [M-H]-@6.32
PI 36:1
ME222927
-
-
6.32
863.5649
PC 38:1; [M-Ac-H]-@7.71
PC 38:1
ME222875
-
-
7.71
874.6537
PC 39:6; [M-Ac-H]-@6.36
PC 39:6
ME222879
-
-
6.36
878.5911
PC 39:5; [M-Ac-H]-@6.51
PC 39:5
ME222878
-
-
6.51
880.6068
PI 38:5; [M-H]-@5.43
PI 38:5
ME222933
-
-
5.43
883.5337
PC 39:3; [M-Ac-H]-@7.33
PC 39:3
ME222877
-
-
7.33
884.6381
PI 38:4; [M-H]-@5.87
PI 38:4
ME222932
-
-
5.87
885.5493
PI 38:3; [M-H]-@6.10
PI 38:3
ME222931
-
-
6.1
887.5649
PC 40:7; [M-Ac-H]-@6.08
PC 40:7
ME222881
-
-
6.08
890.5911
PC 40:2; [M-Ac-H]-@7.83
PC 40:2
ME222880
-
-
7.83
900.6694
PI 40:6; [M-H]-@5.84
PI 40:6
ME222936
-
-
5.84
909.5493
PI 40:5; [M-H]-@6.01
PI 40:5
ME222935
-
-
6.01
911.5649
PC 42:10; [M-Ac-H]-@5.68
PC 42:10
ME222882
-
-
5.68
912.5754
PI 40:4; [M-H]-@6.33
PI 40:4
ME222934
-
-
6.33
913.5806
PC 42:9; [M-Ac-H]-@5.90
PC 42:9
ME222883
-
-
5.9
914.5911
PC 44:4; [M-Ac-H]-@8.42
PC 44:4
ME222884
-
-
8.42
952.7007
Analysis: C18 POSITIVE ION MODE/Triple TOF
Select
Metabolite Name
RefMet Name/Standardized Name*
WorkBenchMetabolite_ID
PubChemCompound_ID
Kegg Id
Retentiontime/index
m/z ratio
TG 62:1; [M+NH4]+@12.22
TG 62:1
ME223168
-
-
12.22
1018.9736
lysoPE 16:0; [M+H]+@1.68
LPE 16:0
ME223186
-
-
1.68
454.2934
lysoPC 14:0; [M+H]+@1.00
LPC 14:0
ME223169
-
-
1
468.309
lysoPE 18:2; [M+H]+@1.32
LPE 18:2
ME223188
-
-
1.32
478.2934
lysoPC 15:0; [M+H]+@1.24
LPC 15:0
ME223170
24779458
-
1.24
482.3246
lysoPE 18:0; [M+H]+@2.48
LPE 18:0
ME223187
-
-
2.48
482.3246
lysoPC 16:1; [M+H]+@1.15
LPC 16:1
ME223172
-
-
1.15
494.3246
lysoPC 16:0; [M+H]+@1.55
LPC 16:0
ME223171
-
-
1.55
496.3403
lysoPE 20:4; [M+H]+@1.26
LPE 20:4
ME223189
-
-
1.26
502.2934
PE 19:2; [M+H]+@1.39
PE 19:2
ME223048
-
-
1.39
506.2883
lysoPC 17:1; [M+H]+@1.42
LPC 17:1
ME223173
-
-
1.42
508.3403
lysoPC 18:3; [M+H]+@1.06
LPC 18:3
ME223177
-
-
1.06
518.3246
lysoPC 18:2; [M+H]+@1.25
LPC 18:2
ME223176
-
-
1.25
520.3403
lysoPC 18:1; [M+H]+@1.65
LPC 18:1
ME223175
-
-
1.65
522.356
lysoPC 18:0; [M+H]+@2.31
LPC 18:0
ME223174
-
-
2.31
524.3716
PE 21:4; [M+H]+@1.33
PE 21:4
ME223049
-
-
1.33
530.2883
lysoPC 19:0; [M+H]+@2.81
LPC 19:0
ME223178
24779472
-
2.81
538.3873
lysoPC 20:5; [M+H]+@1.02
LPC 20:5
ME223183
11757087
-
1.02
542.3246
lysoPC 20:4; [M+H]+@1.30
LPC 20:4
ME223182
-
-
1.3
544.3403
lysoPC 20:3; [M+H]+@1.43
LPC 20:3
ME223181
-
-
1.43
546.356
PC 19:1; [M+H]+@1.78
PC 19:1
ME223016
24778752
-
1.78
550.3509
lysoPC 20:1; [M+H]+@2.51
LPC 20:1
ME223180
-
-
2.51
550.3873
lysoPC 20:0; [M+H]+@3.25
LPC 20:0
ME223179
24779473
-
3.25
552.4029
DG 30:2; [M+NH4]+@6.46
DG 30:2
ME222985
-
-
6.46
554.4782
DG 30:1; [M+NH4]+@6.93
DG 30:1
ME222984
-
-
6.93
556.4938
PE 23:4; [M+H]+@1.89
PE 23:4
ME223050
-
-
1.89
558.3196
DG 30:0; [M+NH4]+@7.40
DG 30:0
ME222983
-
-
7.4
558.5094
lysoPC 22:6; [M+H]+@1.18
LPC 22:6
ME223185
10415542
-
1.18
568.3403
DG 31:0; [M+NH4]+@7.63
DG 31:0
ME222986
-
-
7.63
572.5251
lysoPC 22:0; [M+H]+@4.21
LPC 22:0
ME223184
24779479
-
4.21
580.4342
DG 32:2; [M+NH4]+@7.09
DG 32:2
ME222989
-
-
7.09
582.5094
DG 32:1; [M+NH4]+@7.50
DG 32:1
ME222988
-
-
7.5
584.5251
DG 32:0; [M+NH4]+@7.90
DG 32:0
ME222987
-
-
7.9
586.5407
DG 33:1; [M+NH4]+@7.76
DG 33:1
ME222991
-
-
7.76
598.5407
DG 33:0; [M+NH4]+@8.12
DG 33:0
ME222990
-
-
8.12
600.5564
DG 34:3; [M+NH4]+@7.22
DG 34:3
ME222994
-
-
7.22
608.5251
DG 34:2; [M+NH4]+@7.61
DG 34:2
ME222993
-
-
7.61
610.5407
DG 34:0; [M+NH4]+@8.42
DG 34:0
ME222992
-
-
8.42
614.572
DG 35:3; [M+NH4]+@7.51
DG 35:3
ME222997
-
-
7.51
622.5407
DG 35:2; [M+NH4]+@7.87
DG 35:2
ME222996
-
-
7.87
624.5564
DG 35:1; [M+NH4]+@8.25
DG 35:1
ME222995
-
-
8.25
626.572
DG 36:5; [M+NH4]+@6.99
DG 36:5
ME223003
-
-
6.99
632.5251
DG 36:4; [M+NH4]+@7.38
DG 36:4
ME223002
-
-
7.38
634.5407
DG 36:3; [M+NH4]+@7.71
DG 36:3
ME223001
-
-
7.71
636.5564
DG 36:2; [M+NH4]+@8.07
DG 36:2
ME223000
-
-
8.07
638.572
DG 36:1; [M+NH4]+@8.50
DG 36:1
ME222999
-
-
8.5
640.5877
DG 36:0; [M+NH4]+@8.88
DG 36:0
ME222998
-
-
8.88
642.6033
CE(16:0); [M+NH4]+@11.03
CE 16:0
ME222971
246520
-
11.03
642.6189
SM 30:1; [M]+@4.29
SM 30:1;O2
ME223065
-
-
4.29
647.5128
CE(17:1); [M+NH4]+@10.93
CE 17:1
ME222972
24779603
-
10.93
654.6189
DG 38:7; [M+NH4]+@6.93
DG 38:7
ME223010
-
-
6.93
656.5251
DG 38:6; [M+NH4]+@7.38
DG 38:6
ME223009
-
-
7.38
658.5407
DG 38:5; [M+NH4]+@7.69
DG 38:5
ME223008
-
-
7.69
660.5564
SM 31:1; [M]+@4.74
SM 31:1;O2
ME223066
-
-
4.74
661.5284
DG 38:4; [M+NH4]+@8.04
DG 38:4
ME223007
-
-
8.04
662.572
DG 38:3; [M+NH4]+@8.35
DG 38:3
ME223006
-
-
8.35
664.5877
CE(18:3); [M+NH4]+@10.54
CE 18:3
ME222976
6436907
-
10.54
664.6032
DG 38:2; [M+NH4]+@8.58
DG 38:2
ME223005
-
-
8.58
666.6033
CE(18:2); [M+NH4]+@10.79
CE 18:2
ME222975
5287939
-
10.79
666.6189
DG 38:1; [M+NH4]+@8.95
DG 38:1
ME223004
-
-
8.95
668.6189
CE(18:1); [M+NH4]+@11.05
CE 18:1
ME222974
5283632
-
11.05
668.6345
CE(18:0); [M+NH4]+@11.42
CE 18:0
ME222973
118246
-
11.42
670.6502
SM 32:2; [M]+@4.48
SM 32:2;O2
ME223068
-
-
4.48
673.5284
plasmenyl-PE 32:1; [M+H]+@6.57
PE P-32:1
ME223190
-
-
6.57
674.5125
SM 32:1; [M]+@5.08
SM 32:1;O2
ME223067
11433862
-
5.08
675.5441
DG 40:8; [M+NH4]+@7.18
DG 40:8
ME223015
-
-
7.18
682.5407
DG 40:7; [M+NH4]+@7.60
DG 40:7
ME223014
-
-
7.6
684.5564
DG 40:6; [M+NH4]+@7.77
DG 40:6
ME223013
-
-
7.77
686.572
SM 33:2; [M]+@4.94
SM 33:2;O2
ME223071
-
-
4.94
687.5441
PE 32:2; [M+H]+@5.73
PE 32:2
ME223051
-
-
5.73
688.4917
DG 40:5; [M+NH4]+@8.08
DG 40:5
ME223012
-
-
8.08
688.5877
CE(20:5); [M+NH4]+@10.45
CE 20:5
ME222979
10372299
-
10.45
688.6032
SM 33:1; [M]+@5.44
SM 33:1;O2
ME223070
52931139
-
5.44
689.5597
DG 40:4; [M+NH4]+@8.49
DG 40:4
ME223011
-
-
8.49
690.6033
CE(20:4); [M+NH4]+@10.65
CE 20:4
ME222978
6479222
-
10.65
690.6189
SM 33:0; [M]+@5.73
SM 33:0;O2
ME223069
-
-
5.73
691.5754
CE(20:3); [M+NH4]+@10.82
CE 20:3
ME222977
14274976
-
10.82
692.6345
plasmenyl-PE 34:2; [M+H]+@6.67
PE P-34:2
ME223192
-
-
6.67
700.5281
SM 34:2; [M]+@5.27
SM 34:2;O2
ME223074
-
-
5.27
701.5597
plasmenyl-PE 34:1; [M+H]+@7.11
PE P-34:1
ME223191
-
-
7.11
702.5438
SM 34:1; [M]+@5.75
SM 34:1;O2
ME223073
-
-
5.75
703.5754
PC 30:1; [M+H]+@5.37
PC 30:1
ME223018
-
-
5.37
704.523
SM 34:0; [M]+@6.04
SM 34:0;O2
ME223072
9939965
-
6.04
705.5911
PC 30:0; [M+H]+@5.87
PC 30:0
ME223017
-
-
5.87
706.5387
TG 40:0; [M+NH4]+@9.50
TG 40:0
ME223101
-
-
9.5
712.6451
CE(22:6); [M+NH4]+@10.54
CE 22:6
ME222982
14274978
-
10.54
714.6189
SM 35:2; [M]+@5.65
SM 35:2;O2
ME223075
-
-
5.65
715.5754
PE 34:2; [M+H]+@6.38
PE 34:2
ME223053
-
-
6.38
716.523
CE(22:5); [M+NH4]+@10.75
CE 22:5
ME222981
42608400
-
10.75
716.6345
PE 34:1; [M+H]+@6.81
PE 34:1
ME223052
-
-
6.81
718.5387
CE(22:4); [M+NH4]+@10.93
CE 22:4
ME222980
16061341
-
10.93
718.6502
plasmenyl-PE 36:5; [M+H]+@6.30
PE P-36:5
ME223196
-
-
6.3
722.5125
plasmenyl-PE 36:4; [M+H]+@6.63
PE P-36:4
ME223195
-
-
6.63
724.5281
PC 32:3; [M+H]+@5.09
PC 32:3
ME223021
-
-
5.09
728.523
plasmenyl-PE 36:2; [M+H]+@7.26
PE P-36:2
ME223194
-
-
7.26
728.5594
SM 36:2; [M]+@5.94
SM 36:2;O2
ME223078
-
-
5.94
729.5911
PC 32:2; [M+H]+@5.50
PC 32:2
ME223020
-
-
5.5
730.5387
PE 35:2; [M+H]+@6.68
PE 35:2
ME223054
-
-
6.68
730.5387
plasmenyl-PE 36:1; [M+H]+@7.68
PE P-36:1
ME223193
-
-
7.68
730.5751
SM 36:1; [M]+@6.43
SM 36:1;O2
ME223077
44260139
-
6.43
731.6067
SM 36:0; [M]+@6.74
SM 36:0;O2
ME223076
52931167
-
6.74
733.6224
PC 32:0; [M+H]+@6.48
PC 32:0
ME223019
-
-
6.48
734.57
TG 42:1; [M+NH4]+@9.53
TG 42:1
ME223103
-
-
9.53
738.6608
PE 36:4; [M+H]+@6.35
PE 36:4
ME223058
-
-
6.35
740.523
TG 42:0; [M+NH4]+@9.79
TG 42:0
ME223102
-
-
9.79
740.6764
SM 37:2; [M]+@6.33
SM 37:2;O2
ME223080
-
-
6.33
743.6067
PC 33:2; [M+H]+@5.85
PC 33:2
ME223023
-
-
5.85
744.5543
PE 36:2; [M+H]+@6.96
PE 36:2
ME223057
-
-
6.96
744.5543
SM 37:1; [M]+@6.70
SM 37:1;O2
ME223079
-
-
6.7
745.6224
PC 33:1; [M+H]+@6.36
PC 33:1
ME223022
-
-
6.36
746.57
PE 36:1; [M+H]+@7.39
PE 36:1
ME223056
-
-
7.39
746.57
PE 36:0; [M+H]+@7.82
PE 36:0
ME223055
-
-
7.82
748.5856
plasmenyl-PE 38:4; [M+H]+@7.25
PE P-38:4
ME223200
-
-
7.25
752.5594
PC 34:4; [M+H]+@5.40
PC 34:4
ME223027
-
-
5.4
754.5387
PE 37:4; [M+H]+@6.64
PE 37:4
ME223059
-
-
6.64
754.5387
plasmenyl-PE 38:3; [M+H]+@7.49
PE P-38:3
ME223199
-
-
7.49
754.5751
PC 34:3; [M+H]+@5.73
PC 34:3
ME223026
-
-
5.73
756.5543
plasmenyl-PE 38:2; [M+H]+@7.82
PE P-38:2
ME223198
-
-
7.82
756.5907
SM 38:2; [M]+@6.66
SM 38:2;O2
ME223083
-
-
6.66
757.6224
PC 34:2; [M+H]+@6.16
PC 34:2
ME223025
-
-
6.16
758.57
plasmenyl-PE 38:1; [M+H]+@8.18
PE P-38:1
ME223197
-
-
8.18
758.6063
SM 38:1; [M]+@7.12
SM 38:1;O2
ME223082
-
-
7.12
759.638
PC 34:1; [M+H]+@6.61
PC 34:1
ME223024
-
-
6.61
760.5856
SM 38:0; [M]+@6.20
SM 38:0;O2
ME223081
44260131
-
6.2
761.6536
TG 44:2; [M+NH4]+@9.56
TG 44:2
ME223105
-
-
9.56
764.6764
PC 35:5; [M+H]+@5.47
PC 35:5
ME223031
-
-
5.47
766.5387
TG 44:1; [M+NH4]+@9.83
TG 44:1
ME223104
-
-
9.83
766.6921
PC 35:4; [M+H]+@5.78
PC 35:4
ME223030
-
-
5.78
768.5543
PE 38:4; [M+H]+@6.98
PE 38:4
ME223060
-
-
6.98
768.5543
PC 35:3; [M+H]+@6.01
PC 35:3
ME223029
-
-
6.01
770.57
SM 39:2; [M]+@7.01
SM 39:2;O2
ME223085
-
-
7.01
771.638
PC 35:2; [M+H]+@6.45
PC 35:2
ME223028
-
-
6.45
772.5856
SM 39:1; [M]+@7.40
SM 39:1;O2
ME223084
-
-
7.4
773.6536
PC 36:6; [M+H]+@5.35
PC 36:6
ME223037
-
-
5.35
778.5387
PC 36:5; [M+H]+@5.70
PC 36:5
ME223036
-
-
5.7
780.5543
plasmenyl-PE 40:4; [M+H]+@7.67
PE P-40:4
ME223201
-
-
7.67
780.5907
SM 40:4; [M]+@6.30
SM 40:4;O2
ME223089
-
-
6.3
781.6224
PC 36:4; [M+H]+@5.97
PC 36:4
ME223035
-
-
5.97
782.57
PC 36:3; [M+H]+@6.31
PC 36:3
ME223034
-
-
6.31
784.5856
SM 40:2; [M]+@7.20
SM 40:2;O2
ME223088
-
-
7.2
785.6536
PC 36:2; [M+H]+@6.81
PC 36:2
ME223033
-
-
6.81
786.6013
SM 40:1; [M]+@7.65
SM 40:1;O2
ME223087
-
-
7.65
787.6693
PC 36:1; [M+H]+@7.22
PC 36:1
ME223032
-
-
7.22
788.617
SM 40:0; [M]+@7.89
SM 40:0;O2
ME223086
44260132
-
7.89
789.6849
PE 40:6; [M+H]+@6.88
PE 40:6
ME223064
-
-
6.88
792.5543
TG 46:2; [M+NH4]+@9.86
TG 46:2
ME223108
-
-
9.86
792.7077
SM 41:5; [M]+@6.60
SM 41:5;O2
ME223092
-
-
6.6
793.6224
PE 40:5; [M+H]+@7.24
PE 40:5
ME223063
-
-
7.24
794.57
TG 46:1; [M+NH4]+@10.11
TG 46:1
ME223107
-
-
10.11
794.7233
PE 40:4; [M+H]+@7.38
PE 40:4
ME223062
-
-
7.38
796.5856
TG 46:0; [M+NH4]+@10.35
TG 46:0
ME223106
-
-
10.35
796.739
SM 41:2; [M]+@7.43
SM 41:2;O2
ME223091
-
-
7.43
799.6693
SM 41:1; [M]+@7.90
SM 41:1;O2
ME223090
-
-
7.9
801.6849
PE 40:1; [M+H]+@8.37
PE 40:1
ME223061
-
-
8.37
802.6326
PC 38:6; [M+H]+@6.06
PC 38:6
ME223042
-
-
6.06
806.57
SM 42:5; [M]+@6.53
SM 42:5;O2
ME223096
-
-
6.53
807.638
PC 38:5; [M+H]+@6.30
PC 38:5
ME223041
-
-
6.3
808.5856
SM 42:4; [M]+@6.86
SM 42:4;O2
ME223095
-
-
6.86
809.6536
PC 38:4; [M+H]+@6.75
PC 38:4
ME223040
-
-
6.75
810.6013
PC 38:3; [M+H]+@7.00
PC 38:3
ME223039
-
-
7
812.617
SM 42:2; [M]+@7.70
SM 42:2;O2
ME223094
-
-
7.7
813.6849
PC 38:2; [M+H]+@7.31
PC 38:2
ME223038
-
-
7.31
814.6326
SM 42:1; [M]+@8.16
SM 42:1;O2
ME223093
44260133
-
8.16
815.7006
TG 48:3; [M+NH4]+@9.91
TG 48:3
ME223112
-
-
9.91
818.7233
TG 48:2; [M+NH4]+@10.15
TG 48:2
ME223111
-
-
10.15
820.739
TG 48:1; [M+NH4]+@10.36
TG 48:1
ME223110
-
-
10.36
822.7546
TG 48:0; [M+NH4]+@10.60
TG 48:0
ME223109
-
-
10.6
824.7702
SM 43:2; [M]+@7.86
SM 43:2;O2
ME223098
-
-
7.86
827.7006
SM 43:1; [M]+@8.34
SM 43:1;O2
ME223097
-
-
8.34
829.7163
PC 40:8; [M+H]+@5.75
PC 40:8
ME223046
-
-
5.75
830.57
PC 40:6; [M+H]+@6.65
PC 40:6
ME223045
-
-
6.65
834.6013
TG 49:2; [M+NH4]+@10.29
TG 49:2
ME223115
-
-
10.29
834.7546
PC 40:5; [M+H]+@6.82
PC 40:5
ME223044
-
-
6.82
836.617
TG 49:1; [M+NH4]+@10.51
TG 49:1
ME223114
-
-
10.51
836.7702
PC 40:4; [M+H]+@7.27
PC 40:4
ME223043
-
-
7.27
838.6326
TG 49:0; [M+NH4]+@10.72
TG 49:0
ME223113
-
-
10.72
838.7859
SM 44:2; [M]+@8.23
SM 44:2;O2
ME223100
-
-
8.23
841.7163
TG 50:5; [M+NH4]+@9.77
TG 50:5
ME223121
-
-
9.77
842.7233
SM 44:1; [M]+@8.66
SM 44:1;O2
ME223099
-
-
8.66
843.7319
TG 50:4; [M+NH4]+@9.97
TG 50:4
ME223120
-
-
9.97
844.739
TG 50:3; [M+NH4]+@10.18
TG 50:3
ME223119
-
-
10.18
846.7546
TG 50:2; [M+NH4]+@10.39
TG 50:2
ME223118
-
-
10.39
848.7702
TG 50:1; [M+NH4]+@10.59
TG 50:1
ME223117
-
-
10.59
850.7859
TG 50:0; [M+NH4]+@10.84
TG 50:0
ME223116
-
-
10.84
852.8015
TG 51:3; [M+NH4]+@10.36
TG 51:3
ME223124
-
-
10.36
860.7702
TG 51:2; [M+NH4]+@10.55
TG 51:2
ME223123
-
-
10.55
862.7859
PC 42:5; [M+H]+@7.46
PC 42:5
ME223047
-
-
7.46
864.6482
TG 51:1; [M+NH4]+@10.75
TG 51:1
ME223122
-
-
10.75
864.8015
TG 52:6; [M+NH4]+@9.85
TG 52:6
ME223131
-
-
9.85
868.739
TG 52:5; [M+NH4]+@10.03
TG 52:5
ME223130
-
-
10.03
870.7546
TG 52:4; [M+NH4]+@10.23
TG 52:4
ME223129
-
-
10.23
872.7702
TG 52:3; [M+NH4]+@10.43
TG 52:3
ME223128
-
-
10.43
874.7859
TG 52:2; [M+NH4]+@10.63
TG 52:2
ME223127
-
-
10.63
876.8015
TG 52:1; [M+NH4]+@10.85
TG 52:1
ME223126
-
-
10.85
878.8172
TG 52:0; [M+NH4]+@11.09
TG 52:0
ME223125
-
-
11.09
880.8328
TG 53:5; [M+NH4]+@10.20
TG 53:5
ME223137
-
-
10.2
884.7702
TG 53:4; [M+NH4]+@10.40
TG 53:4
ME223136
-
-
10.4
886.7859
TG 53:3; [M+NH4]+@10.59
TG 53:3
ME223135
-
-
10.59
888.8015
TG 53:2; [M+NH4]+@10.79
TG 53:2
ME223134
-
-
10.79
890.8172
TG 54:8; [M+NH4]+@9.73
TG 54:8
ME223146
-
-
9.73
892.739
TG 53:1; [M+NH4]+@10.98
TG 53:1
ME223133
-
-
10.98
892.8328
TG 54:7; [M+NH4]+@9.92
TG 54:7
ME223145
-
-
9.92
894.7546
TG 53:0; [M+NH4]+@11.20
TG 53:0
ME223132
-
-
11.2
894.8484
TG 54:6; [M+NH4]+@10.09
TG 54:6
ME223144
-
-
10.09
896.7702
TG 54:5; [M+NH4]+@10.29
TG 54:5
ME223143
-
-
10.29
898.7859
TG 54:4; [M+NH4]+@10.48
TG 54:4
ME223142
-
-
10.48
900.8015
TG 54:3; [M+NH4]+@10.70
TG 54:3
ME223141
-
-
10.7
902.8172
TG 54:2; [M+NH4]+@10.90
TG 54:2
ME223140
-
-
10.9
904.8328
TG 54:1; [M+NH4]+@11.11
TG 54:1
ME223139
-
-
11.11
906.8484
TG 54:0; [M+NH4]+@11.33
TG 54:0
ME223138
-
-
11.33
908.8641
TG 56:9; [M+NH4]+@9.85
TG 56:9
ME223156
-
-
9.85
918.7546
TG 56:8; [M+NH4]+@10.05
TG 56:8
ME223155
-
-
10.05
920.7702
TG 56:7; [M+NH4]+@10.24
TG 56:7
ME223154
-
-
10.24
922.7859
TG 56:6; [M+NH4]+@10.43
TG 56:6
ME223153
-
-
10.43
924.8015
TG 56:5; [M+NH4]+@10.60
TG 56:5
ME223152
-
-
10.6
926.8172
TG 56:4; [M+NH4]+@10.76
TG 56:4
ME223151
-
-
10.76
928.8328
TG 56:3; [M+NH4]+@10.93
TG 56:3
ME223150
-
-
10.93
930.8484
TG 56:2; [M+NH4]+@11.13
TG 56:2
ME223149
-
-
11.13
932.8641
TG 56:1; [M+NH4]+@11.35
TG 56:1
ME223148
-
-
11.35
934.8797
TG 57:7; [M+NH4]+@10.39
TG 57:7
ME223157
-
-
10.39
936.8015
TG 56:0; [M+NH4]+@11.59
TG 56:0
ME223147
-
-
11.59
936.8954
TG 58:11; [M+NH4]+@9.80
TG 58:11
ME223159
-
-
9.8
942.7546
TG 58:10; [M+NH4]+@9.98
TG 58:10
ME223158
-
-
9.98
944.7702
TG 58:9; [M+NH4]+@10.15
TG 58:9
ME223167
-
-
10.15
946.7859
TG 58:8; [M+NH4]+@10.29
TG 58:8
ME223166
-
-
10.29
948.8015
TG 58:7; [M+NH4]+@10.49
TG 58:7
ME223165
-
-
10.49
950.8172
TG 58:6; [M+NH4]+@10.65
TG 58:6
ME223164
-
-
10.65
952.8328
TG 58:5; [M+NH4]+@10.85
TG 58:5
ME223163
-
-
10.85
954.8484
TG 58:4; [M+NH4]+@10.99
TG 58:4
ME223162
-
-
10.99
956.8641
TG 58:3; [M+NH4]+@11.16
TG 58:3
ME223161
-
-
11.16
958.8797
TG 58:2; [M+NH4]+@11.36
TG 58:2
ME223160
-
-
11.36
960.8954
Analysis: C18 POSITIVE ION MODE/Triple quadrupole
Select
Metabolite Name
RefMet Name/Standardized Name*
WorkBenchMetabolite_ID
PubChemCompound_ID
Kegg Id
Retentiontime/index
m/z ratio
12:1 CARNITINE
CAR 12:1
ME223227
87087953
-
-
-
14:1 CARNITINE
CAR 14:1
ME223228
87088002
-
-
-
14:2 CARNITINE
CAR 14:2
ME223226
87087940
-
-
-
16:1 CARNITINE
CAR 16:1
ME223224
76040365
-
-
-
18:3 CARNITINE
CAR 18:3
ME223214
54500892
-
-
-
3-HYDROXYLAUROYLCARNITINE
CAR 12:0;OH
ME223220
71464535
-
-
-
3-HYDROXYLINOLEYLCARNITINE
CAR 18:2;OH
ME223223
71464556
-
-
-
3-HYDROXYMYRISTOYLCARNITINE
CAR 14:0;OH
ME223221
71464541
-
-
-
3-HYDROXYPALMITOYLCARNITINE
CAR 16:0;3OH
ME223222
71464553
-
-
-
8:1 CARNITINE
CAR 8:1
ME223225
77908888
-
-
-
AC1MIY4G
-
ME223210
3082079
-
-
-
ACETYL-DL-CARNITINE
CAR 2:0
ME223202
1
-
-
-
ARACHIDONYL CARNITINE
CAR 20:4
ME223211
53477832
-
-
-
ARACHIDYL CARNITINE
CAR 20:0
ME223212
53477833
-
-
-
BUTYRYLCARNITINE
CAR 4:0
ME223208
213144
-
-
-
CIS-4-DECENOYL CARNITINE
CAR 10:1
ME223215
57357170
-
-
-
DECANOYLCARNITINE
CAR 10:0
ME223203
10245190
-
-
-
DL-CARNITINE
Carnitine
ME223209
288
-
-
-
GLUTARYLCARNITINE
CAR DC5:0
ME223219
71317118
-
-
-
ISOVALERYLCARNITINE
CAR 4:0;3Me
ME223216
6426851
-
-
-
LAUROYLCARNITINE
CAR 12:0
ME223204
10427569
-
-
-
LINOELAIDYL CARNITINE
CAR 18:2(9E,12E)
ME223213
53477834
-
-
-
L-PALMITOYLCARNITINE
CAR 16:0
ME223206
11953816
-
-
-
MYRISTOYLCARNITINE
CAR 14:0
ME223217
6426854
-
-
-
OLEOYLCARNITINE
CAR 18:1
ME223218
6441392
-
-
-
O-OCTANOYLCARNITINE
CAR 8:0
ME223207
123701
-
-
-
PROPIONYLCARNITINE
CAR 3:0
ME223205
107738
-
-
-
Analysis: HILIC NEGATIVE ION MODE/Amino, Aminopropyl
Select
Metabolite Name
RefMet Name/Standardized Name*
WorkBenchMetabolite_ID
PubChemCompound_ID
Kegg Id
Retentiontime/index
m/z ratio
DL-ASPARTIC ACID
Aspartic acid
ME223231
424
-
-
-
DL-GLUTAMIC ACID
Glutamic acid
ME223235
611
-
-
-
HEXOPYRANOSE
Hexose
ME223230
206
-
-
-
L-GLUTAMINE
Glutamine
ME223234
5961
-
-
-
OLEIC ACID
Oleic acid
ME223232
445639
-
-
-
STEARIC ACID
Stearic acid
ME223233
5281
-
-
-
XANTHINE
Xanthine
ME223229
1188
-
-
-
Analysis: HILIC NEGATIVE ION MODE/Nucleotides, Sugars
Select
Metabolite Name
RefMet Name/Standardized Name*
WorkBenchMetabolite_ID
PubChemCompound_ID
Kegg Id
Retentiontime/index
m/z ratio
2-KETOGLUTARIC ACID
2-Oxoglutaric acid
ME223245
51
-
-
-
6-PHOSPHOGLUCONIC ACID
6-Phosphogluconic acid
ME223258
91493
-
-
-
ADENOSINE 5'-DIPHOSPHATE
ADP
ME223250
6022
-
-
-
ADENOSINE 5'-MONOPHOSPHATE
AMP
ME223251
6083
-
-
-
ADENOSINE TRIPHOSPHATE
ATP
ME223247
5957
-
-
-
BETA-NAD+
NAD
ME223238
15938971
-
-
-
CITRIC ACID
Citric acid
ME223242
311
-
-
-
COENZYME II
NADP
ME223239
15938972
-
-
-
D-ERYTHROSE 4-PHOSPHATE
Erythrose 4-phosphate
ME223237
122357
-
-
-
D-FRUCTOSE, 1,6-BIS(DIHYDROGEN PHOSPHATE)
Fructose 1,6-bisphosphate
ME223241
21125049
-
-
-
DIHYDROXYACETONE PHOSPHATE
Dihydroxyacetone phosphate
ME223253
668
-
-
-
FAD
FAD
ME223244
46906035
-
-
-
GLYCERALDEHYDE 3-PHOSPHATE
Glyceraldehyde 3-phosphate
ME223255
729
-
-
-
GLYCERATE 3-PHOSPHATE
3-Phosphoglyceric acid
ME223254
724
-
-
-
HYPOXANTHINE
Hypoxanthine
ME223257
790
-
-
-
LACTIC ACID
Lactic acid
ME223252
612
-
-
-
MALIC ACID
Malic acid
ME223246
525
-
-
-
NADH
NADH
ME223243
439153
-
-
-
PHOSPHOENOLPYRUVATE
Phosphoenolpyruvic acid
ME223236
1005
-
-
-
RIBOSE PHOSPHATE
Ribose 5-phosphate
ME223256
77982
-
-
-
ROBISON ESTER
Glucose 6-phosphate
ME223248
5958
-
-
-
SEDOHEPTULOSE 7-PHOSPHATE
Sedoheptulose 7-phosphate
ME223240
165007
-
-
-
SUCROSE
Sucrose
ME223249
5988
-
-
-
UCSD Metabolomics Workbench, a resource sponsored by the Common Fund of the National Institutes of Health
Terms of use
Site map
Contact
NMDR Personnel