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Analysis: C18 NEGATIVE ION MODE/QTOF

SelectMetabolite Name RefMet Name/Standardized Name* WorkBench
Metabolite_ID		 PubChem
Compound_ID		 Kegg Id Retention
time/index		 m/z ratio
16:0 LYSO PC (M+HCOO)-LPC 16:0ME222688460602-22.251495.3323
18:0 LYSO-PE (M-H)-LPE 18:0ME2226649547068-22.687481.3176
2-DEOXY-D-GLUCOSE (M+Cl)-2-Deoxy-glucoseME222715439268-0.736164.0686
2-HYDROXY-3-METHYLBUTYRIC ACID (M-H)-2-Hydroxy-3-methylbutyric acidME222660853180-3.41118.0627
2-OXOADIPIC ACID (M-H)-Oxoadipic acidME22272571-1.332160.0368
3-(4-HYDROXYPHENYL)LACTIC ACID (M-H)-Hydroxyphenyllactic acidME222720440177-3.755182.0578
3-DEHYDROSHIKIMIC ACID (M-H)-3-DehydroshikimateME222730439774-1.022172.0355
3-HYDROXY-3-METHYLGLUTARIC ACID (M-H)-3-Hydroxymethylglutaric acidME2227181662-1.58162.0516
3-METHYLXANTHINE (M-H)-3-MethylxanthineME22272270639-2.436166.0494
4-HYDROXYBENZOIC ACID (M-H)-4-Hydroxybenzoic acidME222679135-4.068138.0315
4-NITROPHENOL (M-H)-4-NitrophenolME222695980-6.991139.0267
5'-METHYLTHIOADENOSINE (M+Cl)-5'-MethylthioadenosineME222726439176-4.458297.0889
5-OXOPROLINE (M-H)-Pyroglutamic acidME2226807405-1.164129.0424
ADIPIC ACID (M-H)-Adipic acidME222671196-3.578146.0582
ALPHA-HYDROXYISOBUTYRIC ACID (M-H)-2-Hydroxyisobutyric acidME22271111671-1.713104.0474
ALPHA-KETO-GLUTARIC ACID (M-H)-2-Oxoglutaric acidME22272451-0.91146.0215
ALPHA-LINOLENIC ACID (M+HCOO)-alpha-Linolenic acidME2226935280934-22.852278.2222
ARACHIDIC ACID (M-H)-Arachidic acidME22268410467-23.575312.3028
ARACHIDONIC ACID (M-H)-Arachidonic acidME222657444899-22.709304.2405
AZELAIC ACID (M-H)-Azelaic acidME2226942266-10.635188.1046
BEHENIC ACID (M-H)-Behenic acidME2227148215-24.062340.3331
BENZOIC ACID (M-H)-Benzoic acidME222670243-4.906122.0366
CARNOSINE (M-H)-CarnosineME222723439224-0.629226.1065
CIS-11-EICOSENOIC ACID (M-H)-cis-Gondoic acidME2226635282768-23.252310.287
CIS-7,10,13,16-DOCOSATETRAENOIC ACID (M+HCOO)-Adrenic acidME2227365497181-23.254332.2735
CITRAMALIC ACID (M-H)-Citramalic acidME222667441696-1.383148.0366
CITRIC ACID (M-H)-Citric acidME222681311-1.018192.0269
CORTISOL (M+HCOO)-CortisolME2227135754-13.722362.2086
CORTISONE (M+Cl)-CortisoneME222675222786-13.305360.1921
CREATINE (M-H)-CreatineME222734586-0.701131.069
DOCOSAHEXAENOIC ACID (M-H)-Docosahexaenoic acidME222687445580-22.696328.2404
ERUCIC ACID (M-H)-cis-Erucic acidME2226665281116-23.646338.3185
FUMARIC ACID (2M-H)-Fumaric acidME222728444972-1.25116.0108
FUMARIC ACID (M-H)-Fumaric acidME222733444972-1.25116.0111
GLUCONIC ACID (M-H)-Gluconic acidME22272110690-0.765196.0571
GLUTATHIONE (OXIDIZED) (M-H)-GlutathioneME22272765359-1.361612.1519
GLYCERIC ACID (M-H)-Glyceric acidME222691439194-0.75106.0266
HEPTADECANOIC ACID (M-H)-Margaric acidME22267310465-23.011270.2556
INOSINE 5'-PHOSPHATE (M-H)-IMPME2226748582-0.987348.0475
INOSINE (M+Cl)-InosineME2226896021-1.82268.0808
INOSINE (M-H)-InosineME2226906021-1.82268.0808
ISOCITRIC ACID (M-H)-Isocitric acidME2227195318532-0.748192.0269
L-[15N]ANTHRANILIC ACID [ISTD] (M-H)-2-Aminobenzoic acidME222705227-5.287138.0446
LAURIC ACID (M-H)-Lauric acidME2226963893-21.741200.1771
LIGNOCERIC ACID (M-H)-Lignoceric acidME22267611197-24.704368.3652
LINOLEIC ACID (M-H)-Linoleic acidME2227095280450-22.723280.2407
L-TRYPTOPHAN-15N2 [ISTD] (M-H)-TryptophanME22268616217285-3.607206.0838
MALEIC ACID (M-H)-Maleic acidME222729444266-1.098116.0111
MALIC ACID (M-H)-Malic acidME222703222656-0.751134.0217
MALIC ACID (M-H)+[-H2O]Malic acidME222732222656-0.75134.0229
MANDELIC ACID #2 (M-H)-Mandelic acidME22270011914-8.648152.0475
MYRISTIC ACID (M-H)-Myristic acidME22266811005-22.453228.2088
N-ACETYL-L-ALANINE (M-H)-N-AcetylalanineME22269788064-1.493131.0588
NAD (M-H)-NAD+ME2227315893-1.034663.1092
NERVONIC ACID (M-H)-Nervonic acidME2226785281120-24.133366.3488
OLEOYL-GLYCEROL (M+HCOO)-MG 18:1ME2227065319879-22.658356.2926
PALMITIC ACID (M-H)-Palmitic acidME222698985-22.852256.2406
PALMITOLEIC ACID (M-H)-Palmitoleic acidME222704445638-22.591254.2246
PANTOTHENIC ACID (M+Cl)-Pantothenic acidME2226626613-3.196219.1105
PANTOTHENIC ACID (M-H)-Pantothenic acidME2227086613-3.197219.1106
PHENYLALANINE (M-H)-PhenylalanineME2226656140-2.486165.0785
PHOSPHOCREATINE (M-H)-PhosphocreatineME2227359548602-0.835211.036
PHTHALIC ACID (M-H)-Phthalic acidME2227161017-4.722166.0256
PHYTANIC ACID (M-H)-Phytanic acidME22265910380830-23.257312.3019
PYRUVIC ACID (M-H)-Pyruvic acidME2227171060-0.74288.0163
RETINOIC ACID (M-H)-Retinoic acidME222699444795-22.269300.2105
SALICYLATE #2 (M-H)-Salicylic acidME222712338-8.134138.0316
STEARIC ACID (M-H)-Stearic acidME2226725281-23.18284.272
SUBERIC ACID (M-H)-Suberic acidME22265810457-8.145174.0884
SUCCINIC ACID (M-H)-Succinic acidME2226821110-1.302118.0266
THEOPHYLLINE (M-H)-TheophyllineME2226612153-4.4180.0631
THYMINE-D4(METHYL-D3,6-D1) [ISTD] (M-H)--ME22273716213347-1.681130.0678
TRANS-ACONITIC ACID (M-H)-trans-Aconitic acidME222685444212-1.125174.0166
TRANS-VACCENIC ACID (M-H)-trans-Vaccenic acidME2226925281127-22.93282.2565
TRICARBALLYLIC ACID (M-H)-[-H2O]1,2,3-Propanetricarboxylic acidME22270714925-1.349176.0319
TRICOSANOIC ACID (M-H)-Tricosylic acidME22267717085-24.356354.3494
TYROSINE (M-H)-TyrosineME2226696057-1.357181.0718
URIC ACID (M-H)-Uric acidME2227021175-1.041168.0274
URIDINE (M+Cl)-UridineME2227106029-1.37244.0697
URIDINE (M-H)-UridineME2226836029-1.37244.0692
ZEATIN [ISTD] (M+Cl)-trans-ZeatinME222701449093-3.875219.112


Analysis: C18 POSITIVE ION MODE/QTOF

SelectMetabolite Name RefMet Name/Standardized Name* WorkBench
Metabolite_ID		 PubChem
Compound_ID		 Kegg Id Retention
time/index		 m/z ratio
16:0 LYSO PC (M+H)+LPC 16:0ME222748460602-22.252495.3327
16:0 LYSO PC (M+Na)+LPC 16:0ME222786460602-22.266495.3334
18:0 LYSO-PE (M+H)+LPE 18:0ME2228079547068-22.689481.3214
18:0 LYSO-PE (M+Na)+LPE 18:0ME2227989547068-22.69481.3249
3',5'-CYCLIC AMP (M+H)+3',5' cyclic AMPME2228146076-1.921329.0537
3-DEHYDROXYCARNITINE (M+H)+3-DehydroxycarnitineME222795725-0.7145.1089
3-HYDROXYLAUROYLCARNITINE (*) (M+H)+CAR 12:0;OHME22278371464535-15.999359.2677
3-METHYLHISTAMINE (M+H)+3-MethylhistamineME22279169520-0.564125.0941
5ALPHA-ANDROSTANE-3ALPHA,17BETA-DIOL (M+Na)+3alpha-AndrostanediolME22281315818-19.418292.2412
5-AMINOPENTANOIC ACID (M+H)+5-Aminopentanoic acidME222806138-0.736117.0783
5'-METHYLTHIOADENOSINE (M+H)+5'-MethylthioadenosineME222803439176-4.463297.0902
ACETYLCARNITINE (M+H)+CAR 2:0ME22278418230-0.978203.1151
ADIPIC ACID (M+Na)+Adipic acidME222763196-3.483146.0585
AZELAIC ACID (M+Na)+Azelaic acidME2227492266-10.654188.1067
BETA-ALANYL-N(PAI)-METHYL-L-HISTIDINE (M+H)+AnserineME222802112072-0.632240.119
BIS(2-ETHYLHEXYL)PHTHALIC ACID (M+Na)+bis(2-Ethylhexyl)phthalic acidME2227548343-23.106390.278
CARNITINE (M+H)+CarnitineME22278810917-0.681161.104
CARNOSINE (M+H)+CarnosineME222808439224-0.634226.1044
CARNOSINE (M+Na)+CarnosineME222744439224-0.632226.1035
CHOLESTEROL (M+H)+[-H2O]CholesterolME2227475997-24.542386.3551
CITRULLINE (M+Na)+CitrullineME2228099750-0.63175.0962
CORTISOL (M+Na)+CortisolME2227595754-13.739362.2047
CREATINE (M+H)+CreatineME222793586-0.696131.0688
DESMOSTEROL (M+H)+[-H2O]DesmosterolME222739439577-24.234384.339
DIPALMITOYL-GLYCEROL (M+H)+[-H2O]DG 16:0_16:0ME222768644078-26.061568.5064
DIPALMITOYL-GLYCEROL (M+Na)+DG 16:0_16:0ME222764644078-26.06568.5075
DODECENOYLCARNITINE (*) II M+CAR 12:1ME22275853481671-16.723342.2637
EICOSADIENOYLCARNITINE (*) (M+H)+CAR 20:2ME22281271464509-21.461451.3592
EICOSANOYLCARNITINE (*) (M+H)+CAR 20:0ME22275253477833-22.067455.3973
FLUCYTOSINE (M+H)+FlucytosineME2227553366-0.652129.0349
GLUTATHIONE OXIDIZED (M+H2)+2GlutathioneME22280565359-1.356612.1534
GLYCEROL MYRISTATE (M+Na)+MG 14:0ME22277379050-22.145302.2448
GUANINE (M+H)+GuanineME222810764-0.916151.0489
GUANOSINE (M+H)+GuanosineME2228016802-1.833283.0927
HEXANOYLCARNITINE (*) M+CAR 6:0ME2227823246939-7.06260.1885
HISTAMINE (M+H)+HistamineME222796774-0.555111.0799
HISTAMINE (M+Na)+HistamineME222794774-0.573111.0796
HYPOXANTHINE (M+H)+HypoxanthineME222785790-1.021136.0385
INOSINE 5'-PHOSPHATE (M+H)+IMPME2227428582-0.992348.047
INOSINE 5'-PHOSPHATE (M+Na)+IMPME2227468582-0.986348.0468
INOSINE (M+Na)+InosineME2227756021-1.734268.0813
ISO-BUTYRYLCARNITINE (*) (M+H)+CAR 3:0;2MeME222738168379-2.912231.1475
ISOVALERYLCARNITINE (*) (M+H)+CAR 4:0;3MeME222743169235-4.583245.1629
KYNURENINE (M+H)+KynurenineME222753161166-2.204208.0808
LEUCINE (M+H)+LeucineME2227416106-1.52131.0948
L-HISTIDINE (M+H)+HistidineME2227896274-0.625155.068
L-HISTIDINE (M+Na)+HistidineME2227906274-0.627155.0685
L-TRYPTOPHAN-15N2 [ISTD] (M+H)+TryptophanME22277116217285-3.606206.0847
LYSINE (M+H)+LysineME2227765962-0.562146.1055
METHIONINE (M+H)+MethionineME2227796137-1.012149.0506
N-ACETYL-DL-SERINE (M+H)+[-H2O]N-AcetylserineME22277865249-0.827147.0534
NAD (M+H)+NAD+ME2227815893-1.03663.1081
N-ALPHA-ACETYL-L-LYSINE (M+H)+N(2)-AcetyllysineME22279792907-0.721188.1179
NAPROXEN (M+H)+NaproxenME222757156391-15.701230.0945
N-CYCLOHEXYLFORMAMIDE (M+H)+N-CyclohexylformamideME22277213017-7.811127.1006
NICOTINAMIDE (M+H)+NiacinamideME222760936-1.103122.0479
NORADRENALINE (M+H)+[-H2O]Xi-NorepinephrineME222799951-0.669169.0728
OCTENOYLCARNITINE (*) M+CAR 8:1ME22274571464472-9.587286.2027
OLEAMIDE (M+H)+OleamideME2227625283387-22.622281.2709
OLEAMIDE (M+Na)+OleamideME2227925283387-22.623281.2724
OLEOYL-GLYCEROL (M+H)+MG 18:1ME2227705319879-22.675356.2903
OLEOYL-GLYCEROL (M+Na)+MG 18:1ME2227805319879-22.713356.2933
OPHTHALMIC ACID (M+H)+Ophthalmic acidME2228047018721-1.208289.1262
PANTOTHENIC ACID (M+H)+Pantothenic acidME2227566613-3.202219.1114
PHENYLALANINE (M+H)+PhenylalanineME2227876140-2.528165.079
PHOSPHOCREATINE (M+H)+PhosphocreatineME2228119548602-0.881211.0352
PROLINE (M+H)+ProlineME222767145742-0.711115.0629
PROPIONYLCARNITINE (*) (M+H)+CAR 3:0ME222774107738-1.673217.1316
S-ADENOSYL-L-HOMOCYSTEINE (M+H)+S-AdenosylhomocysteineME222769439155-1.551384.1237
SN-GLYCERO-3-PHOSPHOCHOLINE (M+H)+sn-Glycero-3-phosphocholineME222766439285-0.681257.1025
SUBERIC ACID (M+Na)+Suberic acidME22277710457-8.162174.0915
TETRADECENOYLCARNITINE (*) M+CAR 14:1ME22276522833575-18.839370.2964
THEOBROMINE (M+H)+TheobromineME2227515429-3.481180.0656
TRIMETHYLAMINE (M+H)+TrimethylamineME2228001146-0.71759.0732
TYROSINE (M+H)+TyrosineME2227616057-1.348181.0738
VALINE (M+H)+ValineME2227406287-0.91117.0789
ZEATIN [ISTD] (M+H)+trans-ZeatinME222750449093-3.881219.113


Analysis: C18 NEGATIVE ION MODE/Triple TOF

SelectMetabolite Name RefMet Name/Standardized Name* WorkBench
Metabolite_ID		 PubChem
Compound_ID		 Kegg Id Retention
time/index		 m/z ratio
Arachidonic acidArachidonic acidME222815444899-1.76303.2329
CerP 34:1; [M-H]-@5.84CerP 34:1;O2ME222834--5.84616.4706
CerP 35:1; [M-H]-@6.15CerP 35:1;O2ME222835--6.15630.4863
CerP 42:1; [M-H]-@8.17CerP 42:1;O2ME222836--8.17728.5958
CerP 42:2; [M-H]-@7.66CerP 42:2;O2ME222837--7.66726.5801
CL 66:1; [M-2H](2-)@6.22CL 66:1ME222816--6.22688.4861
CL 70:1; [M-2H](2-)@6.02CL 70:1ME222817--6.02716.5174
CL 70:5; [M-2H](2-)@5.92CL 70:5ME222818--5.92712.4861
CL 70:6; [M-2H](2-)@9.10CL 70:6ME222819--9.1711.4783
CL 70:7; [M-2H](2-)@8.87CL 70:7ME222820--8.87710.4705
CL 72:5; [M-2H](2-)@9.51CL 72:5ME222821--9.51726.5018
CL 72:6; [M-2H](2-)@9.35CL 72:6ME222822--9.35725.4939
CL 72:7; [M-2H](2-)@9.15CL 72:7ME222823--9.15724.4861
CL 72:8; [M-2H](2-)@8.94CL 72:8ME222824--8.94723.4783
CL 72:9; [M-2H](2-)@8.79CL 72:9ME222825--8.79722.4705
CL 74:1; [M-2H](2-)@6.67CL 74:1ME222826--6.67744.5487
CL 74:7; [M-2H](2-)@6.10CL 74:7ME222827--6.1738.5018
CL 74:8; [M-2H](2-)@9.20CL 74:8ME222828--9.2737.4939
CL 74:9; [M-2H](2-)@9.04CL 74:9ME222829--9.04736.4861
CL 76:7; [M-2H](2-)@6.70CL 76:7ME222830--6.7752.5174
CL 78:3; [M-2H](2-)@6.10CL 78:3ME222831--6.1770.5644
CL 78:5; [M-2H](2-)@6.38CL 78:5ME222832--6.38768.5487
CL 82:13; [M-2H](2-)@6.29CL 82:13ME222833--6.29788.5174
FFA(16:0)Palmitic acidME222838--2.18255.2329
FFA(18:0)Stearic acidME2228395281-3.13283.2642
FFA(18:1)Octadecenoic acidME222840--2.4281.2486
FFA(18:2)Octadecadienoic acidME222841--1.84279.2329
FFA(20:0)Arachidic acidME22284210467-4.17311.2955
FFA(20:1)Heneicosenoic acidME222843--3.3309.2799
FFA(20:2)Eicosadienoic acidME222844--2.64307.2642
FFA(22:0)Behenic acidME2228458215-5.17339.3268
FFA(22:1)Docosenoic acidME222846--4.28337.3112
FFA(22:2)Docosadienoic acidME222847--3.59335.2955
FFA(22:3)Docosatrienoic acidME222848--2.99333.2799
FFA(24:0)Lignoceric acidME22284911197-6.07367.3581
FFA(24:1)Tetracosenoic acidME222850--5.22365.3425
FFA(24:2)Tetracosadienoic acidME222851--4.57363.3268
FFA(24:3)Tetracosatrienoic acidME22285252921854-3.99361.3112
lysoPE 18:1; [M-H]-@1.75LPE 18:1ME222949--1.75478.2934
lysoPE 20:3; [M-H]-@1.61LPE 20:3ME222950--1.61502.2934
lysoPE 22:5; [M-H]-@1.72LPE 22:5ME222951--1.72526.2934
lysoPE 22:6; [M-H]-@1.29LPE 22:6ME222952--1.29524.2777
PA 34:2; [M-H]-@6.21PA 34:2ME222853--6.21671.4652
PA 35:1; [M-H]-@6.16PA 35:1ME222854--6.16687.4965
PA 36:2; [M-H]-@6.86PA 36:2ME222855--6.86699.4965
PA 36:3; [M-H]-@6.18PA 36:3ME222856--6.18697.4808
PA 37:2; [M-H]-@6.37PA 37:2ME222857--6.37713.5121
PA 38:6; [M-H]-@6.09PA 38:6ME222858--6.09719.4652
PC 19:2; [M-Ac-H]-@1.32PC 19:2ME222859--1.32606.3407
PC 28:0; [M-Ac-H]-@5.21PC 28:0ME222860--5.21736.5129
PC 30:2; [M-Ac-H]-@4.87PC 30:2ME222861--4.87760.5129
PC 31:0; [M-Ac-H]-@6.18PC 31:0ME222862--6.18778.5598
PC 32:1; [M-Ac-H]-@6.05PC 32:1ME222863--6.05790.5598
PC 32:2; [M-Ac-H]-@5.54PC 32:2ME222864--5.54788.5442
PC 33:3; [M-Ac-H]-@5.51PC 33:3ME222865--5.51800.5442
PC 34:2; [M-Ac-H]-@6.19PC 34:2ME222866--6.19816.5754
PC 35:1; [M-Ac-H]-@6.95PC 35:1ME222867--6.95832.6068
PC 36:0; [M-Ac-H]-@7.72PC 36:0ME222868--7.72848.6381
PC 36:3; [M-Ac-H]-@6.32PC 36:3ME222869--6.32842.5911
PC 37:2; [M-Ac-H]-@7.10PC 37:2ME222870--7.1858.6224
PC 37:3; [M-Ac-H]-@6.70PC 37:3ME222871--6.7856.6068
PC 37:4; [M-Ac-H]-@6.49PC 37:4ME222872--6.49854.5911
PC 37:5; [M-Ac-H]-@5.98PC 37:5ME222873--5.98852.5754
PC 37:6; [M-Ac-H]-@5.79PC 37:6ME222874--5.79850.5598
PC 38:1; [M-Ac-H]-@7.71PC 38:1ME222875--7.71874.6537
PC 38:7; [M-Ac-H]-@5.51PC 38:7ME222876--5.51862.5598
PC 39:3; [M-Ac-H]-@7.33PC 39:3ME222877--7.33884.6381
PC 39:5; [M-Ac-H]-@6.51PC 39:5ME222878--6.51880.6068
PC 39:6; [M-Ac-H]-@6.36PC 39:6ME222879--6.36878.5911
PC 40:2; [M-Ac-H]-@7.83PC 40:2ME222880--7.83900.6694
PC 40:7; [M-Ac-H]-@6.08PC 40:7ME222881--6.08890.5911
PC 42:10; [M-Ac-H]-@5.68PC 42:10ME222882--5.68912.5754
PC 42:9; [M-Ac-H]-@5.90PC 42:9ME222883--5.9914.5911
PC 44:4; [M-Ac-H]-@8.42PC 44:4ME222884--8.42952.7007
PE 30:0; [M-H]-@6.08PE 30:0ME222885--6.08662.4761
PE 32:0; [M-H]-@6.68PE 32:0ME222886--6.68690.5074
PE 32:1; [M-H]-@6.21PE 32:1ME222887--6.21688.4917
PE 33:2; [M-H]-@6.08PE 33:2ME222888--6.08700.4917
PE 34:0; [M-H]-@6.53PE 34:0ME222889--6.53718.5387
PE 34:3; [M-H]-@5.98PE 34:3ME222890--5.98712.4917
PE 34:4; [M-H]-@5.70PE 34:4ME222891--5.7710.4761
PE 35:0; [M-H]-@7.56PE 35:0ME222892--7.56732.5543
PE 35:1; [M-H]-@7.12PE 35:1ME222893--7.12730.5387
PE 35:3; [M-H]-@6.22PE 35:3ME222894--6.22726.5074
PE 35:4; [M-H]-@6.06PE 35:4ME222895--6.06724.4917
PE 36:2; [M-H]-@6.97PE 36:2ME222896--6.97742.5387
PE 36:3; [M-H]-@6.52PE 36:3ME222897--6.52740.5231
PE 36:5; [M-H]-@5.95PE 36:5ME222898--5.95736.4917
PE 37:2; [M-H]-@7.16PE 37:2ME222899--7.16756.5543
PE 37:5; [M-H]-@5.71PE 37:5ME222900--5.71750.5074
PE 38:1; [M-H]-@7.89PE 38:1ME222901--7.89772.5856
PE 38:2; [M-H]-@6.83PE 38:2ME222902--6.83770.57
PE 38:3; [M-H]-@7.22PE 38:3ME222903--7.22768.5543
PE 38:5; [M-H]-@6.49PE 38:5ME222904--6.49764.5231
PE 38:6; [M-H]-@6.07PE 38:6ME222905--6.07762.5074
PE 39:4; [M-H]-@7.12PE 39:4ME222906--7.12780.5543
PE 40:2; [M-H]-@8.09PE 40:2ME222907--8.09798.6013
PE 40:3; [M-H]-@7.05PE 40:3ME222908--7.05796.5856
PE 40:7; [M-H]-@6.36PE 40:7ME222909--6.36788.5231
PE 40:8; [M-H]-@5.85PE 40:8ME222910--5.85786.5074
PE 42:1; [M-H]-@8.83PE 42:1ME222911--8.83828.6483
PE 42:2; [M-H]-@8.55PE 42:2ME222912--8.55826.6326
PE 42:4; [M-H]-@8.06PE 42:4ME222913--8.06822.6013
PE 44:4; [M-H]-@8.52PE 44:4ME222914--8.52850.6326
PG 32:0; [M-H]-@5.80PG 32:0ME222915--5.8721.5019
PG 33:0; [M-H]-@6.09PG 33:0ME222916--6.09735.5176
PG 34:1; [M-H]-@5.84PG 34:1ME222917--5.84747.5176
PG 34:2; [M-H]-@5.46PG 34:2ME222918--5.46745.5019
PG 35:1; [M-H]-@6.13PG 35:1ME222919--6.13761.5333
PG 36:0; [M-H]-@6.93PG 36:0ME222920--6.93777.5646
PG 36:2; [M-H]-@6.13PG 36:2ME222921--6.13773.5333
PG 36:3; [M-H]-@5.30PG 36:3ME222922--5.3771.5176
PG 36:4; [M-H]-@4.95PG 36:4ME222923--4.95769.5019
PG 38:5; [M-H]-@5.50PG 38:5ME222924--5.5795.5176
PI 34:1; [M-H]-@5.71PI 34:1ME222925--5.71835.5337
PI 34:2; [M-H]-@5.30PI 34:2ME222926--5.3833.518
PI 36:1; [M-H]-@6.32PI 36:1ME222927--6.32863.5649
PI 36:2; [M-H]-@5.92PI 36:2ME222928--5.92861.5493
PI 36:3; [M-H]-@5.43PI 36:3ME222929--5.43859.5337
PI 36:4; [M-H]-@5.26PI 36:4ME222930--5.26857.518
PI 38:3; [M-H]-@6.10PI 38:3ME222931--6.1887.5649
PI 38:4; [M-H]-@5.87PI 38:4ME222932--5.87885.5493
PI 38:5; [M-H]-@5.43PI 38:5ME222933--5.43883.5337
PI 40:4; [M-H]-@6.33PI 40:4ME222934--6.33913.5806
PI 40:5; [M-H]-@6.01PI 40:5ME222935--6.01911.5649
PI 40:6; [M-H]-@5.84PI 40:6ME222936--5.84909.5493
plasmenyl-PE 28:0; [M-H]-@5.79PE P-28:0ME222953--5.79618.4499
plasmenyl-PE 30:0; [M-H]-@6.45PE P-30:0ME222954--6.45646.4812
plasmenyl-PE 32:0; [M-H]-@7.07PE P-32:0ME222955--7.07674.5124
plasmenyl-PE 33:0; [M-H]-@7.21PE P-33:0ME222956--7.21688.5281
plasmenyl-PE 34:0; [M-H]-@7.61PE P-34:0ME222957--7.61702.5438
plasmenyl-PE 34:2; [M-H]-@6.67PE P-34:2ME222958--6.67698.5124
plasmenyl-PE 34:3; [M-H]-@6.31PE P-34:3ME222959--6.31696.4968
plasmenyl-PE 35:1; [M-H]-@7.45PE P-35:1ME222960--7.45714.5438
plasmenyl-PE 36:0; [M-H]-@8.10PE P-36:0ME222961--8.1730.5751
plasmenyl-PE 36:2; [M-H]-@7.29PE P-36:2ME222962--7.29726.5438
plasmenyl-PE 36:3; [M-H]-@6.91PE P-36:3ME222963--6.91724.5281
plasmenyl-PE 38:5; [M-H]-@6.75PE P-38:5ME222964--6.75748.5281
plasmenyl-PE 38:6; [M-H]-@6.54PE P-38:6ME222965--6.54746.5124
plasmenyl-PE 40:5; [M-H]-@7.42PE P-40:5ME222966--7.42776.5594
plasmenyl-PE 40:6; [M-H]-@7.17PE P-40:6ME222967--7.17774.5438
plasmenyl-PE 42:4; [M-H]-@8.03PE P-42:4ME222968--8.03806.6064
plasmenyl-PE 42:5; [M-H]-@7.86PE P-42:5ME222969--7.86804.5907
plasmenyl-PE 42:6; [M-H]-@7.73PE P-42:6ME222970--7.73802.5751
PS 34:2; [M-H]-@5.36PS 34:2ME222937--5.36758.4972
PS 36:1; [M-H]-@6.43PS 36:1ME222938--6.43788.5442
PS 36:2; [M-H]-@6.01PS 36:2ME222939--6.01786.5285
PS 36:3; [M-H]-@5.54PS 36:3ME222940--5.54784.5129
PS 38:3; [M-H]-@6.22PS 38:3ME222941--6.22812.5442
PS 38:4; [M-H]-@6.01PS 38:4ME222942--6.01810.5285
PS 38:5; [M-H]-@5.57PS 38:5ME222943--5.57808.5129
PS 40:4; [M-H]-@6.43PS 40:4ME222944--6.43838.5598
PS 40:5; [M-H]-@6.12PS 40:5ME222945--6.12836.5442
PS 40:6; [M-H]-@5.88PS 40:6ME222946--5.88834.5285
PS 40:7; [M-H]-@5.45PS 40:7ME222947--5.45832.5129
PS 40:8; [M-H]-@4.98PS 40:8ME222948--4.98830.4972


Analysis: C18 POSITIVE ION MODE/Triple TOF

SelectMetabolite Name RefMet Name/Standardized Name* WorkBench
Metabolite_ID		 PubChem
Compound_ID		 Kegg Id Retention
time/index		 m/z ratio
CE(16:0); [M+NH4]+@11.03CE 16:0ME222971246520-11.03642.6189
CE(17:1); [M+NH4]+@10.93CE 17:1ME22297224779603-10.93654.6189
CE(18:0); [M+NH4]+@11.42CE 18:0ME222973118246-11.42670.6502
CE(18:1); [M+NH4]+@11.05CE 18:1ME2229745283632-11.05668.6345
CE(18:2); [M+NH4]+@10.79CE 18:2ME2229755287939-10.79666.6189
CE(18:3); [M+NH4]+@10.54CE 18:3ME2229766436907-10.54664.6032
CE(20:3); [M+NH4]+@10.82CE 20:3ME22297714274976-10.82692.6345
CE(20:4); [M+NH4]+@10.65CE 20:4ME2229786479222-10.65690.6189
CE(20:5); [M+NH4]+@10.45CE 20:5ME22297910372299-10.45688.6032
CE(22:4); [M+NH4]+@10.93CE 22:4ME22298016061341-10.93718.6502
CE(22:5); [M+NH4]+@10.75CE 22:5ME22298142608400-10.75716.6345
CE(22:6); [M+NH4]+@10.54CE 22:6ME22298214274978-10.54714.6189
DG 30:0; [M+NH4]+@7.40DG 30:0ME222983--7.4558.5094
DG 30:1; [M+NH4]+@6.93DG 30:1ME222984--6.93556.4938
DG 30:2; [M+NH4]+@6.46DG 30:2ME222985--6.46554.4782
DG 31:0; [M+NH4]+@7.63DG 31:0ME222986--7.63572.5251
DG 32:0; [M+NH4]+@7.90DG 32:0ME222987--7.9586.5407
DG 32:1; [M+NH4]+@7.50DG 32:1ME222988--7.5584.5251
DG 32:2; [M+NH4]+@7.09DG 32:2ME222989--7.09582.5094
DG 33:0; [M+NH4]+@8.12DG 33:0ME222990--8.12600.5564
DG 33:1; [M+NH4]+@7.76DG 33:1ME222991--7.76598.5407
DG 34:0; [M+NH4]+@8.42DG 34:0ME222992--8.42614.572
DG 34:2; [M+NH4]+@7.61DG 34:2ME222993--7.61610.5407
DG 34:3; [M+NH4]+@7.22DG 34:3ME222994--7.22608.5251
DG 35:1; [M+NH4]+@8.25DG 35:1ME222995--8.25626.572
DG 35:2; [M+NH4]+@7.87DG 35:2ME222996--7.87624.5564
DG 35:3; [M+NH4]+@7.51DG 35:3ME222997--7.51622.5407
DG 36:0; [M+NH4]+@8.88DG 36:0ME222998--8.88642.6033
DG 36:1; [M+NH4]+@8.50DG 36:1ME222999--8.5640.5877
DG 36:2; [M+NH4]+@8.07DG 36:2ME223000--8.07638.572
DG 36:3; [M+NH4]+@7.71DG 36:3ME223001--7.71636.5564
DG 36:4; [M+NH4]+@7.38DG 36:4ME223002--7.38634.5407
DG 36:5; [M+NH4]+@6.99DG 36:5ME223003--6.99632.5251
DG 38:1; [M+NH4]+@8.95DG 38:1ME223004--8.95668.6189
DG 38:2; [M+NH4]+@8.58DG 38:2ME223005--8.58666.6033
DG 38:3; [M+NH4]+@8.35DG 38:3ME223006--8.35664.5877
DG 38:4; [M+NH4]+@8.04DG 38:4ME223007--8.04662.572
DG 38:5; [M+NH4]+@7.69DG 38:5ME223008--7.69660.5564
DG 38:6; [M+NH4]+@7.38DG 38:6ME223009--7.38658.5407
DG 38:7; [M+NH4]+@6.93DG 38:7ME223010--6.93656.5251
DG 40:4; [M+NH4]+@8.49DG 40:4ME223011--8.49690.6033
DG 40:5; [M+NH4]+@8.08DG 40:5ME223012--8.08688.5877
DG 40:6; [M+NH4]+@7.77DG 40:6ME223013--7.77686.572
DG 40:7; [M+NH4]+@7.60DG 40:7ME223014--7.6684.5564
DG 40:8; [M+NH4]+@7.18DG 40:8ME223015--7.18682.5407
lysoPC 14:0; [M+H]+@1.00LPC 14:0ME223169--1468.309
lysoPC 15:0; [M+H]+@1.24LPC 15:0ME22317024779458-1.24482.3246
lysoPC 16:0; [M+H]+@1.55LPC 16:0ME223171--1.55496.3403
lysoPC 16:1; [M+H]+@1.15LPC 16:1ME223172--1.15494.3246
lysoPC 17:1; [M+H]+@1.42LPC 17:1ME223173--1.42508.3403
lysoPC 18:0; [M+H]+@2.31LPC 18:0ME223174--2.31524.3716
lysoPC 18:1; [M+H]+@1.65LPC 18:1ME223175--1.65522.356
lysoPC 18:2; [M+H]+@1.25LPC 18:2ME223176--1.25520.3403
lysoPC 18:3; [M+H]+@1.06LPC 18:3ME223177--1.06518.3246
lysoPC 19:0; [M+H]+@2.81LPC 19:0ME22317824779472-2.81538.3873
lysoPC 20:0; [M+H]+@3.25LPC 20:0ME22317924779473-3.25552.4029
lysoPC 20:1; [M+H]+@2.51LPC 20:1ME223180--2.51550.3873
lysoPC 20:3; [M+H]+@1.43LPC 20:3ME223181--1.43546.356
lysoPC 20:4; [M+H]+@1.30LPC 20:4ME223182--1.3544.3403
lysoPC 20:5; [M+H]+@1.02LPC 20:5ME22318311757087-1.02542.3246
lysoPC 22:0; [M+H]+@4.21LPC 22:0ME22318424779479-4.21580.4342
lysoPC 22:6; [M+H]+@1.18LPC 22:6ME22318510415542-1.18568.3403
lysoPE 16:0; [M+H]+@1.68LPE 16:0ME223186--1.68454.2934
lysoPE 18:0; [M+H]+@2.48LPE 18:0ME223187--2.48482.3246
lysoPE 18:2; [M+H]+@1.32LPE 18:2ME223188--1.32478.2934
lysoPE 20:4; [M+H]+@1.26LPE 20:4ME223189--1.26502.2934
PC 19:1; [M+H]+@1.78PC 19:1ME22301624778752-1.78550.3509
PC 30:0; [M+H]+@5.87PC 30:0ME223017--5.87706.5387
PC 30:1; [M+H]+@5.37PC 30:1ME223018--5.37704.523
PC 32:0; [M+H]+@6.48PC 32:0ME223019--6.48734.57
PC 32:2; [M+H]+@5.50PC 32:2ME223020--5.5730.5387
PC 32:3; [M+H]+@5.09PC 32:3ME223021--5.09728.523
PC 33:1; [M+H]+@6.36PC 33:1ME223022--6.36746.57
PC 33:2; [M+H]+@5.85PC 33:2ME223023--5.85744.5543
PC 34:1; [M+H]+@6.61PC 34:1ME223024--6.61760.5856
PC 34:2; [M+H]+@6.16PC 34:2ME223025--6.16758.57
PC 34:3; [M+H]+@5.73PC 34:3ME223026--5.73756.5543
PC 34:4; [M+H]+@5.40PC 34:4ME223027--5.4754.5387
PC 35:2; [M+H]+@6.45PC 35:2ME223028--6.45772.5856
PC 35:3; [M+H]+@6.01PC 35:3ME223029--6.01770.57
PC 35:4; [M+H]+@5.78PC 35:4ME223030--5.78768.5543
PC 35:5; [M+H]+@5.47PC 35:5ME223031--5.47766.5387
PC 36:1; [M+H]+@7.22PC 36:1ME223032--7.22788.617
PC 36:2; [M+H]+@6.81PC 36:2ME223033--6.81786.6013
PC 36:3; [M+H]+@6.31PC 36:3ME223034--6.31784.5856
PC 36:4; [M+H]+@5.97PC 36:4ME223035--5.97782.57
PC 36:5; [M+H]+@5.70PC 36:5ME223036--5.7780.5543
PC 36:6; [M+H]+@5.35PC 36:6ME223037--5.35778.5387
PC 38:2; [M+H]+@7.31PC 38:2ME223038--7.31814.6326
PC 38:3; [M+H]+@7.00PC 38:3ME223039--7812.617
PC 38:4; [M+H]+@6.75PC 38:4ME223040--6.75810.6013
PC 38:5; [M+H]+@6.30PC 38:5ME223041--6.3808.5856
PC 38:6; [M+H]+@6.06PC 38:6ME223042--6.06806.57
PC 40:4; [M+H]+@7.27PC 40:4ME223043--7.27838.6326
PC 40:5; [M+H]+@6.82PC 40:5ME223044--6.82836.617
PC 40:6; [M+H]+@6.65PC 40:6ME223045--6.65834.6013
PC 40:8; [M+H]+@5.75PC 40:8ME223046--5.75830.57
PC 42:5; [M+H]+@7.46PC 42:5ME223047--7.46864.6482
PE 19:2; [M+H]+@1.39PE 19:2ME223048--1.39506.2883
PE 21:4; [M+H]+@1.33PE 21:4ME223049--1.33530.2883
PE 23:4; [M+H]+@1.89PE 23:4ME223050--1.89558.3196
PE 32:2; [M+H]+@5.73PE 32:2ME223051--5.73688.4917
PE 34:1; [M+H]+@6.81PE 34:1ME223052--6.81718.5387
PE 34:2; [M+H]+@6.38PE 34:2ME223053--6.38716.523
PE 35:2; [M+H]+@6.68PE 35:2ME223054--6.68730.5387
PE 36:0; [M+H]+@7.82PE 36:0ME223055--7.82748.5856
PE 36:1; [M+H]+@7.39PE 36:1ME223056--7.39746.57
PE 36:2; [M+H]+@6.96PE 36:2ME223057--6.96744.5543
PE 36:4; [M+H]+@6.35PE 36:4ME223058--6.35740.523
PE 37:4; [M+H]+@6.64PE 37:4ME223059--6.64754.5387
PE 38:4; [M+H]+@6.98PE 38:4ME223060--6.98768.5543
PE 40:1; [M+H]+@8.37PE 40:1ME223061--8.37802.6326
PE 40:4; [M+H]+@7.38PE 40:4ME223062--7.38796.5856
PE 40:5; [M+H]+@7.24PE 40:5ME223063--7.24794.57
PE 40:6; [M+H]+@6.88PE 40:6ME223064--6.88792.5543
plasmenyl-PE 32:1; [M+H]+@6.57PE P-32:1ME223190--6.57674.5125
plasmenyl-PE 34:1; [M+H]+@7.11PE P-34:1ME223191--7.11702.5438
plasmenyl-PE 34:2; [M+H]+@6.67PE P-34:2ME223192--6.67700.5281
plasmenyl-PE 36:1; [M+H]+@7.68PE P-36:1ME223193--7.68730.5751
plasmenyl-PE 36:2; [M+H]+@7.26PE P-36:2ME223194--7.26728.5594
plasmenyl-PE 36:4; [M+H]+@6.63PE P-36:4ME223195--6.63724.5281
plasmenyl-PE 36:5; [M+H]+@6.30PE P-36:5ME223196--6.3722.5125
plasmenyl-PE 38:1; [M+H]+@8.18PE P-38:1ME223197--8.18758.6063
plasmenyl-PE 38:2; [M+H]+@7.82PE P-38:2ME223198--7.82756.5907
plasmenyl-PE 38:3; [M+H]+@7.49PE P-38:3ME223199--7.49754.5751
plasmenyl-PE 38:4; [M+H]+@7.25PE P-38:4ME223200--7.25752.5594
plasmenyl-PE 40:4; [M+H]+@7.67PE P-40:4ME223201--7.67780.5907
SM 30:1; [M]+@4.29SM 30:1;O2ME223065--4.29647.5128
SM 31:1; [M]+@4.74SM 31:1;O2ME223066--4.74661.5284
SM 32:1; [M]+@5.08SM 32:1;O2ME22306711433862-5.08675.5441
SM 32:2; [M]+@4.48SM 32:2;O2ME223068--4.48673.5284
SM 33:0; [M]+@5.73SM 33:0;O2ME223069--5.73691.5754
SM 33:1; [M]+@5.44SM 33:1;O2ME22307052931139-5.44689.5597
SM 33:2; [M]+@4.94SM 33:2;O2ME223071--4.94687.5441
SM 34:0; [M]+@6.04SM 34:0;O2ME2230729939965-6.04705.5911
SM 34:1; [M]+@5.75SM 34:1;O2ME223073--5.75703.5754
SM 34:2; [M]+@5.27SM 34:2;O2ME223074--5.27701.5597
SM 35:2; [M]+@5.65SM 35:2;O2ME223075--5.65715.5754
SM 36:0; [M]+@6.74SM 36:0;O2ME22307652931167-6.74733.6224
SM 36:1; [M]+@6.43SM 36:1;O2ME22307744260139-6.43731.6067
SM 36:2; [M]+@5.94SM 36:2;O2ME223078--5.94729.5911
SM 37:1; [M]+@6.70SM 37:1;O2ME223079--6.7745.6224
SM 37:2; [M]+@6.33SM 37:2;O2ME223080--6.33743.6067
SM 38:0; [M]+@6.20SM 38:0;O2ME22308144260131-6.2761.6536
SM 38:1; [M]+@7.12SM 38:1;O2ME223082--7.12759.638
SM 38:2; [M]+@6.66SM 38:2;O2ME223083--6.66757.6224
SM 39:1; [M]+@7.40SM 39:1;O2ME223084--7.4773.6536
SM 39:2; [M]+@7.01SM 39:2;O2ME223085--7.01771.638
SM 40:0; [M]+@7.89SM 40:0;O2ME22308644260132-7.89789.6849
SM 40:1; [M]+@7.65SM 40:1;O2ME223087--7.65787.6693
SM 40:2; [M]+@7.20SM 40:2;O2ME223088--7.2785.6536
SM 40:4; [M]+@6.30SM 40:4;O2ME223089--6.3781.6224
SM 41:1; [M]+@7.90SM 41:1;O2ME223090--7.9801.6849
SM 41:2; [M]+@7.43SM 41:2;O2ME223091--7.43799.6693
SM 41:5; [M]+@6.60SM 41:5;O2ME223092--6.6793.6224
SM 42:1; [M]+@8.16SM 42:1;O2ME22309344260133-8.16815.7006
SM 42:2; [M]+@7.70SM 42:2;O2ME223094--7.7813.6849
SM 42:4; [M]+@6.86SM 42:4;O2ME223095--6.86809.6536
SM 42:5; [M]+@6.53SM 42:5;O2ME223096--6.53807.638
SM 43:1; [M]+@8.34SM 43:1;O2ME223097--8.34829.7163
SM 43:2; [M]+@7.86SM 43:2;O2ME223098--7.86827.7006
SM 44:1; [M]+@8.66SM 44:1;O2ME223099--8.66843.7319
SM 44:2; [M]+@8.23SM 44:2;O2ME223100--8.23841.7163
TG 40:0; [M+NH4]+@9.50TG 40:0ME223101--9.5712.6451
TG 42:0; [M+NH4]+@9.79TG 42:0ME223102--9.79740.6764
TG 42:1; [M+NH4]+@9.53TG 42:1ME223103--9.53738.6608
TG 44:1; [M+NH4]+@9.83TG 44:1ME223104--9.83766.6921
TG 44:2; [M+NH4]+@9.56TG 44:2ME223105--9.56764.6764
TG 46:0; [M+NH4]+@10.35TG 46:0ME223106--10.35796.739
TG 46:1; [M+NH4]+@10.11TG 46:1ME223107--10.11794.7233
TG 46:2; [M+NH4]+@9.86TG 46:2ME223108--9.86792.7077
TG 48:0; [M+NH4]+@10.60TG 48:0ME223109--10.6824.7702
TG 48:1; [M+NH4]+@10.36TG 48:1ME223110--10.36822.7546
TG 48:2; [M+NH4]+@10.15TG 48:2ME223111--10.15820.739
TG 48:3; [M+NH4]+@9.91TG 48:3ME223112--9.91818.7233
TG 49:0; [M+NH4]+@10.72TG 49:0ME223113--10.72838.7859
TG 49:1; [M+NH4]+@10.51TG 49:1ME223114--10.51836.7702
TG 49:2; [M+NH4]+@10.29TG 49:2ME223115--10.29834.7546
TG 50:0; [M+NH4]+@10.84TG 50:0ME223116--10.84852.8015
TG 50:1; [M+NH4]+@10.59TG 50:1ME223117--10.59850.7859
TG 50:2; [M+NH4]+@10.39TG 50:2ME223118--10.39848.7702
TG 50:3; [M+NH4]+@10.18TG 50:3ME223119--10.18846.7546
TG 50:4; [M+NH4]+@9.97TG 50:4ME223120--9.97844.739
TG 50:5; [M+NH4]+@9.77TG 50:5ME223121--9.77842.7233
TG 51:1; [M+NH4]+@10.75TG 51:1ME223122--10.75864.8015
TG 51:2; [M+NH4]+@10.55TG 51:2ME223123--10.55862.7859
TG 51:3; [M+NH4]+@10.36TG 51:3ME223124--10.36860.7702
TG 52:0; [M+NH4]+@11.09TG 52:0ME223125--11.09880.8328
TG 52:1; [M+NH4]+@10.85TG 52:1ME223126--10.85878.8172
TG 52:2; [M+NH4]+@10.63TG 52:2ME223127--10.63876.8015
TG 52:3; [M+NH4]+@10.43TG 52:3ME223128--10.43874.7859
TG 52:4; [M+NH4]+@10.23TG 52:4ME223129--10.23872.7702
TG 52:5; [M+NH4]+@10.03TG 52:5ME223130--10.03870.7546
TG 52:6; [M+NH4]+@9.85TG 52:6ME223131--9.85868.739
TG 53:0; [M+NH4]+@11.20TG 53:0ME223132--11.2894.8484
TG 53:1; [M+NH4]+@10.98TG 53:1ME223133--10.98892.8328
TG 53:2; [M+NH4]+@10.79TG 53:2ME223134--10.79890.8172
TG 53:3; [M+NH4]+@10.59TG 53:3ME223135--10.59888.8015
TG 53:4; [M+NH4]+@10.40TG 53:4ME223136--10.4886.7859
TG 53:5; [M+NH4]+@10.20TG 53:5ME223137--10.2884.7702
TG 54:0; [M+NH4]+@11.33TG 54:0ME223138--11.33908.8641
TG 54:1; [M+NH4]+@11.11TG 54:1ME223139--11.11906.8484
TG 54:2; [M+NH4]+@10.90TG 54:2ME223140--10.9904.8328
TG 54:3; [M+NH4]+@10.70TG 54:3ME223141--10.7902.8172
TG 54:4; [M+NH4]+@10.48TG 54:4ME223142--10.48900.8015
TG 54:5; [M+NH4]+@10.29TG 54:5ME223143--10.29898.7859
TG 54:6; [M+NH4]+@10.09TG 54:6ME223144--10.09896.7702
TG 54:7; [M+NH4]+@9.92TG 54:7ME223145--9.92894.7546
TG 54:8; [M+NH4]+@9.73TG 54:8ME223146--9.73892.739
TG 56:0; [M+NH4]+@11.59TG 56:0ME223147--11.59936.8954
TG 56:1; [M+NH4]+@11.35TG 56:1ME223148--11.35934.8797
TG 56:2; [M+NH4]+@11.13TG 56:2ME223149--11.13932.8641
TG 56:3; [M+NH4]+@10.93TG 56:3ME223150--10.93930.8484
TG 56:4; [M+NH4]+@10.76TG 56:4ME223151--10.76928.8328
TG 56:5; [M+NH4]+@10.60TG 56:5ME223152--10.6926.8172
TG 56:6; [M+NH4]+@10.43TG 56:6ME223153--10.43924.8015
TG 56:7; [M+NH4]+@10.24TG 56:7ME223154--10.24922.7859
TG 56:8; [M+NH4]+@10.05TG 56:8ME223155--10.05920.7702
TG 56:9; [M+NH4]+@9.85TG 56:9ME223156--9.85918.7546
TG 57:7; [M+NH4]+@10.39TG 57:7ME223157--10.39936.8015
TG 58:10; [M+NH4]+@9.98TG 58:10ME223158--9.98944.7702
TG 58:11; [M+NH4]+@9.80TG 58:11ME223159--9.8942.7546
TG 58:2; [M+NH4]+@11.36TG 58:2ME223160--11.36960.8954
TG 58:3; [M+NH4]+@11.16TG 58:3ME223161--11.16958.8797
TG 58:4; [M+NH4]+@10.99TG 58:4ME223162--10.99956.8641
TG 58:5; [M+NH4]+@10.85TG 58:5ME223163--10.85954.8484
TG 58:6; [M+NH4]+@10.65TG 58:6ME223164--10.65952.8328
TG 58:7; [M+NH4]+@10.49TG 58:7ME223165--10.49950.8172
TG 58:8; [M+NH4]+@10.29TG 58:8ME223166--10.29948.8015
TG 58:9; [M+NH4]+@10.15TG 58:9ME223167--10.15946.7859
TG 62:1; [M+NH4]+@12.22TG 62:1ME223168--12.221018.9736


Analysis: C18 POSITIVE ION MODE/Triple quadrupole

SelectMetabolite Name RefMet Name/Standardized Name* WorkBench
Metabolite_ID		 PubChem
Compound_ID		 Kegg Id Retention
time/index		 m/z ratio
12:1 CARNITINECAR 12:1ME22322787087953---
14:1 CARNITINECAR 14:1ME22322887088002---
14:2 CARNITINECAR 14:2ME22322687087940---
16:1 CARNITINECAR 16:1ME22322476040365---
18:3 CARNITINECAR 18:3ME22321454500892---
3-HYDROXYLAUROYLCARNITINECAR 12:0;OHME22322071464535---
3-HYDROXYLINOLEYLCARNITINECAR 18:2;OHME22322371464556---
3-HYDROXYMYRISTOYLCARNITINECAR 14:0;OHME22322171464541---
3-HYDROXYPALMITOYLCARNITINECAR 16:0;3OHME22322271464553---
8:1 CARNITINECAR 8:1ME22322577908888---
AC1MIY4G-ME2232103082079---
ACETYL-DL-CARNITINECAR 2:0ME2232021---
ARACHIDONYL CARNITINECAR 20:4ME22321153477832---
ARACHIDYL CARNITINECAR 20:0ME22321253477833---
BUTYRYLCARNITINECAR 4:0ME223208213144---
CIS-4-DECENOYL CARNITINECAR 10:1ME22321557357170---
DECANOYLCARNITINECAR 10:0ME22320310245190---
DL-CARNITINECarnitineME223209288---
GLUTARYLCARNITINECAR DC5:0ME22321971317118---
ISOVALERYLCARNITINECAR 4:0;3MeME2232166426851---
LAUROYLCARNITINECAR 12:0ME22320410427569---
LINOELAIDYL CARNITINECAR 18:2(9E,12E)ME22321353477834---
L-PALMITOYLCARNITINECAR 16:0ME22320611953816---
MYRISTOYLCARNITINECAR 14:0ME2232176426854---
OLEOYLCARNITINECAR 18:1ME2232186441392---
O-OCTANOYLCARNITINECAR 8:0ME223207123701---
PROPIONYLCARNITINECAR 3:0ME223205107738---


Analysis: HILIC NEGATIVE ION MODE/Amino, Aminopropyl

SelectMetabolite Name RefMet Name/Standardized Name* WorkBench
Metabolite_ID		 PubChem
Compound_ID		 Kegg Id Retention
time/index		 m/z ratio
DL-ASPARTIC ACIDAspartic acidME223231424---
DL-GLUTAMIC ACIDGlutamic acidME223235611---
HEXOPYRANOSEHexoseME223230206---
L-GLUTAMINEGlutamineME2232345961---
OLEIC ACIDOleic acidME223232445639---
STEARIC ACIDStearic acidME2232335281---
XANTHINEXanthineME2232291188---


Analysis: HILIC NEGATIVE ION MODE/Nucleotides, Sugars

SelectMetabolite Name RefMet Name/Standardized Name* WorkBench
Metabolite_ID		 PubChem
Compound_ID		 Kegg Id Retention
time/index		 m/z ratio
2-KETOGLUTARIC ACID2-Oxoglutaric acidME22324551---
6-PHOSPHOGLUCONIC ACID6-Phosphogluconic acidME22325891493---
ADENOSINE 5'-DIPHOSPHATEADPME2232506022---
ADENOSINE 5'-MONOPHOSPHATEAMPME2232516083---
ADENOSINE TRIPHOSPHATEATPME2232475957---
BETA-NAD+NAD+ME22323815938971---
CITRIC ACIDCitric acidME223242311---
COENZYME IINADP+ME22323915938972---
D-ERYTHROSE 4-PHOSPHATEErythrose 4-phosphateME223237122357---
D-FRUCTOSE, 1,6-BIS(DIHYDROGEN PHOSPHATE)Fructose 1,6-bisphosphateME22324121125049---
DIHYDROXYACETONE PHOSPHATEDihydroxyacetone phosphateME223253668---
FADFADME22324446906035---
GLYCERALDEHYDE 3-PHOSPHATEGlyceraldehyde 3-phosphateME223255729---
GLYCERATE 3-PHOSPHATE3-Phosphoglyceric acidME223254724---
HYPOXANTHINEHypoxanthineME223257790---
LACTIC ACIDLactic acidME223252612---
MALIC ACIDMalic acidME223246525---
NADHNADHME223243439153---
PHOSPHOENOLPYRUVATEPhosphoenolpyruvic acidME2232361005---
RIBOSE PHOSPHATERibose 5-phosphateME22325677982---
ROBISON ESTERGlucose 6-phosphateME2232485958---
SEDOHEPTULOSE 7-PHOSPHATESedoheptulose 7-phosphateME223240165007---
SUCROSESucroseME2232495988---


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