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