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Analysis: C18 HRMS NEGATIVE ION MODE

SelectMetabolite Name RefMet Name/Standardized Name* WorkBench
Metabolite_ID		 PubChem
Compound_ID		 Kegg Id Retention
time/index		 m/z ratio
1,3,7-TRIMETHYLURIC ACID (M-H)-1,3,7-Trimethyluric acidME24792779437-4.9923244210.0745
16:0 LYSO PC (M+Cl)-LPC 16:0ME247928460602-22.26098495.3335
16:0 LYSO PC (M+HCOO)-LPC 16:0ME247929460602-22.246284495.332
1-METHYLXANTHINE (M-H)-1-MethylxanthineME24793080220-2.6050477166.0496
2-HYDROXY-3-METHYLBUTYRIC ACID (M-H)-2-Hydroxy-3-methylbutyric acidME247931853180-3.4712875118.0631
3-(4-HYDROXYPHENYL)LACTATE (M-H)-Hydroxyphenyllactic acidME2479329378-3.8236327182.0577
3-METHYLXANTHINE (M-H)-3-MethylxanthineME24793370639-2.4781027166.0486
4-ACETAMINOPHEN SULFATE (M-H)-Paracetamol sulfateME24793483939-2.4139066231.0195
4-NITROPHENOL (M-H)-4-NitrophenolME247935980-7.0639806139.0264
4-PYRIDOXATE (M-H)-4-Pyridoxic acidME2479366723-1.9090635183.0524
ADIPIC ACID (M-H)-Adipic acidME247937196-3.5439496146.0579
BENZOATE (M-H)-Benzoic acidME247938243-4.977423122.0368
BILIVERDIN (M-H)-BiliverdinME2479395280353-18.550594582.2485
CHOLATE (M+Cl)-Cholic acidME247940221493-20.35182408.2862
CIS-7,10,13,16-DOCOSATETRAENOIC ACID (M-H)-Adrenic acidME2479415497181-22.993395332.271
CIS-ACONITATE (M-H)-cis-Aconitic acidME247942643757-1.1732172174.0167
CITRULLINE (M-H)-CitrullineME2479439750-0.66541433175.0957
CORTISOL (M+Cl)-CortisolME2479445754-13.821042362.2093
CORTISOL (M+HCOO)-CortisolME2479455754-13.820266362.2093
CORTISONE (M+Cl)-CortisoneME247946222786-13.400652360.1931
CORTISONE (M+HCOO)-CortisoneME247947222786-13.402713360.1927
DEHYDROASCORBATE (M-H)-Dehydroascorbic acidME247948210328-0.79387915174.0174
DEOXYCHOLIC ACID (M+Cl)-Deoxycholic acidME247949222528-21.720922392.2934
EPIBRASSINOLIDE [ISTD] (M+HCOO)-24-epi-BrassinolideME2479503239-19.832636480.346
GIBBERELLIC ACID [ISTD] (2M-H)-Gibberellin A3ME2479516466-8.515203346.1411
GIBBERELLIC ACID [ISTD] (M-H)-Gibberellin A3ME2479526466-8.515123346.1422
GLUTARATE (M-H)-Glutaric acidME247953743-2.0489662132.0415
GLYCOCHOLATE (M-H)-Glycocholic acidME24795410140-18.875908465.3083
GLYCOLITHOCHOLATE (M-H)-Glycolithocholic acidME247955115245-21.616348433.319
GULONO-1,4-LACTONE (M-H)-D-GulonolactoneME247956165105-0.71211284178.0482
HIPPURATE (M-H)-Hippuric acidME247957464-4.7980695179.0581
HYODEOXYCHOLATE (M-H)-Hyodeoxycholic acidME2479585283820-22.881977392.2948
INOSINE 5'-DIPHOSPHATE (M-H)-IDPME2479606831-0.8792317428.0153
INOSINE (M-H)-InosineME2479596021-1.846725268.08
ISOCITRATE (M-H)-Isocitric acidME2479615318532-0.7499781192.0283
ISOLEUCINE (M-H)-IsoleucineME2479626306-1.5892383131.0939
L-[15N]ANTHRANILIC ACID [ISTD] (M-H)-2-Aminobenzoic acidME247963227-5.34853138.0445
LEUCINE (M-H)-LeucineME2479646106-1.5960284131.0939
L-HISTIDINE (M-H)-HistidineME2479656274-0.64269096155.0698
LINOLEATE (M-H)-Linoleic acidME2479665280450-22.748962280.2403
L-TRYPTOPHAN-15N2 [ISTD] (M-H)-TryptophanME24796716217285-3.6521347206.0845
MALATE (M-H)-Malic acidME247968222656-0.7428817134.0225
MANDELIC ACID (M-H)-Mandelic acidME24796911914-5.642559152.047
METHYL BETA-D-GALACTOSIDE (M+Cl)-Methyl beta-D-galactosideME24797094214-0.89806914194.0779
METHYLMALONATE (M-H)-Methylmalonic acidME247971487-1.3537214118.0271
N-ACETYL-D-GLUCOSAMINE (M+Cl)-N-AcetylglucosamineME247972439174-0.68750036221.0919
N-ACETYL-L-ALANINE (M-H)-N-AcetylalanineME24797388064-1.5096511131.058
ORNITHINE (M-H)-OrnithineME2479746262-0.66354066132.0895
PALMITATE (M-H)-Palmitic acidME247975985-22.874302256.2401
PANTOTHENATE (M-H)-Pantothenic acidME2479766613-3.256991219.11
PHENYLALANINE (M-H)-PhenylalanineME2479776140-2.5220904165.0785
PURINE (M-H)-PurineME2479781044-1.6028982120.0436
(S)-3-METHYL-2-OXOPENTANOATE (M-H)-3-Methyl-2-oxovaleric acidME24792647-4.2638597130.0633
SALICYLATE (M-H)-Salicylic acidME247979338-8.252464138.0315
SEBACIC ACID (M-H)-Sebacic acidME2479805192-12.9683202.1204
STEARATE (M-H)-Stearic acidME2479815281-23.204784284.2713
SUBERIC ACID (M-H)-Suberic acidME24798210457-8.253072174.0886
THEOPHYLLINE (M-H)-TheophyllineME2479832153-4.448149180.0646
TRYPTOPHAN (M-H)-TryptophanME2479846305-3.6527634204.0886
TYROSINE (M-H)-TyrosineME2479856057-1.3638979181.0737
URIDINE (M+Cl)-UridineME2479866029-1.3722496244.0697
URIDINE (M-H)-UridineME2479876029-1.3732184244.0696
URSODIOL (M-H)-Ursodeoxycholic acidME24798931401-21.708872392.2909
URSODIOL (M+HCOO)-Ursodeoxycholic acidME24798831401-21.612303392.2925
XANTHINE (M-H)-XanthineME2479901188-1.324564152.0334


Analysis: C18 HRMS POSITIVE ION MODE

SelectMetabolite Name RefMet Name/Standardized Name* WorkBench
Metabolite_ID		 PubChem
Compound_ID		 Kegg Id Retention
time/index		 m/z ratio
1,3-DIELAIDIN (M+Na)+DG 18:1(9E)/0:0/0:0/18:1(9E)ME2479915316908-26.721262620.5386
16:0 LYSO PC (M+H)+LPC 16:0ME247992460602-22.24472495.3331
16:0 LYSO PC (M+Na)+LPC 16:0ME247993460602-22.260456495.3335
1-METHYLADENOSINE (M+H)+1-MethyladenosineME24799427476-3.0134337281.1119
1-METHYLXANTHINE (M+H)+1-MethylxanthineME24799580220-2.5263476166.0486
1-METHYLXANTHINE (M+Na)+1-MethylxanthineME24799680220-2.561711166.0502
1-OLEOYL-RAC-GLYCEROL (M+Na)+MG 18:1ME2479975283468-22.738407356.2931
2-METHYLPROPANAL OXIME (M+H)+[-H2O]2-Methylpropanal oximeME2479989023-0.709288887.0687
3-AMINOISOBUTANOATE (M+H)+[-H2O]3-Aminoisobutanoic acidME24799964956-1.765289103.0634
3BETA-HYDROXYANDROST-5-EN-17-ONE (M+Na)+DehydroepiandrosteroneME2480005881-17.333021288.2092
3-HYDROXYLAUROYLCARNITINE (*) (M+H)+CAR 12:0;OHME24800171464535-16.21925359.2655
3-METHOXYTYROSINE (M+H)+3-MethoxytyrosineME2480029307-2.0431068211.0839
5-AMINOPENTANOATE (M+H)+5-Aminopentanoic acidME248003138-0.7299094117.079
ACETAMINOPHEN (TN TYLENOL) (M+Na)+AcetaminophenME2480041983-2.9772375151.0632
AZELAIC ACID (M+Na)+Azelaic acidME2480052266-10.755813188.1056
BILIVERDIN (M+H)+BiliverdinME2480065280353-18.407467582.2483
BIS(2-ETHYLHEXYL)PHTHALATE (M+H)+Bis(2-ethylhexyl)phthalateME2480078343-23.126707390.279
BUTYRYLCARNITINE (*) (M+H)+CAR 4:0ME248008213144-2.936159231.1468
CAFFEINE (M+H)+CaffeineME2480092519-5.9329166194.0814
CARNITINE (M+H)+CarnitineME24801010917-0.670246161.1049
CORTISOL (M+H)+CortisolME2480115754-13.828744362.2084
CORTISONE (M+H)+CortisoneME248012222786-13.409466360.1926
DECANOYLCARNITINE (*) (M+H)+CAR 10:0ME24801311953821-15.384024315.2411
DECENOYLCARNITINE (*) (M+H)+CAR 10:1ME24801457357170-13.895902313.225
DEOXYCHOLIC ACID (M+Na)+Deoxycholic acidME248015222528-21.709497392.2926
DODECENOYLCARNITINE (*) II M+CAR 12:1ME24801653481671-16.782574342.2637
EDTA (M+Na)+Edetic acidME2480176049-1.1380423292.0901
ELAIDIC ACID (M+H)+Elaidic acidME248018637517-22.951698282.2559
ELAIDIC ACID (M+Na)+Elaidic acidME248019637517-22.852907282.2577
EPIBRASSINOLIDE [ISTD] (M+H)+24-epi-BrassinolideME2480203239-19.837307480.3459
ERYTHRITOL (M+Na)+ErythritolME248021222285-0.70112467122.057
GIBBERELLIC ACID [ISTD] (M+Na)+Gibberellin A3ME2480226466-8.524768346.1425
GLUTAMATE (M+H)+[-H2O]Glutamic acidME24802333032-0.68773997147.0531
GLYCOCHENODEOXYCHOLATE (M+H)+Glycochenodeoxycholic acidME2480249548796-20.661718449.3126
GLYCOCHENODEOXYCHOLATE (M+H)+[-H2O]Glycochenodeoxycholic acidME2480259548796-20.332409449.3128
GLYCOCHENODEOXYCHOLATE (M+Na)+Glycochenodeoxycholic acidME2480269548796-20.29396449.3143
GLYCOCHOLATE (M+H)+Glycocholic acidME24802710140-18.890583465.3084
HEXANOYLCARNITINE (*) M+CAR 6:0ME2480283246939-7.123601260.1863
HIPPURATE (M+H)+Hippuric acidME248029464-4.8040724179.0592
HYPOXANTHINE (M+H)+HypoxanthineME248030790-1.1414915136.0398
INDOLE-3-ACETATE (M+H)+Indoleacetic acidME248031802-8.422981175.0636
INOSINE (M+Na)+InosineME2480326021-1.8421109268.0812
ISO-BUTYRYLCARNITINE (*) (M+H)+CAR 3:0;2MeME248033168379-2.851855231.1467
ISOLEUCINE (M+H)+IsoleucineME2480346306-1.5844593131.0946
ISOVALERYLCARNITINE (*) (M+H)+CAR 4:0;3MeME248035169235-4.635372245.1626
KYNURENINE (M+Na)+KynurenineME248036161166-2.2267635208.0846
L-ARGININE (M+H)+ArginineME2480376322-0.6443795174.1103
LEUKOTRIENE B4 (M+H)+[-H2O]LTB4ME2480385280492-20.800774336.2275
L-HISTIDINE (M+H)+HistidineME2480396274-0.72844744155.068
L-TRYPTOPHAN-15N2 [ISTD] (M+H)+TryptophanME24804016217285-3.6639278206.0852
LYSINE (M+H)+LysineME2480415962-0.56587577146.105
METHIONINE (M+H)+MethionineME2480426137-1.0189835149.0508
N6-(DELTA2-ISOPENTENYL)-ADENINE (M+Na)+N6-IsopentenyladenineME24804492180-7.541018203.1181
N-ACETYL-DL-SERINE (M+H)+[-H2O]N-AcetylserineME24804565249-0.7982904147.0531
N-ACETYL-L-ALANINE (M+Na)+N-AcetylalanineME24804688064-1.4224501131.0571
N(PAI)-METHYL-L-HISTIDINE (M+H)+3-MethylhistidineME24804364969-0.6915795169.084
OCTANOYLCARNITINE (*) (M+H)+CAR 8:0ME248047123701-11.846589287.2098
OCTENOYLCARNITINE (*) M+CAR 8:1ME24804871464472-9.587797286.2021
OLEIC ACID (M+Na)+Oleic acidME248049445639-22.548971282.2562
ORNITHINE (M+H)+OrnithineME2480506262-0.56728035132.0899
P-ACETAMIDOPHENYL BETA-D-GLUCURONIDE (M+H)+p-AcetamidophenylglucuronideME24805183944-2.2816138327.0953
PIPECOLATE (M+H)+Pipecolic acidME248052849-0.76563585129.0787
PROGESTERONE (M+H)+ProgesteroneME2480535994-19.762758314.2221
PROPIONYLCARNITINE (*) (M+H)+CAR 3:0ME248054107738-1.6788884217.1306
SARCOSINE (M+H)+SarcosineME2480551088-0.6987495489.0472
SN-GLYCERO-3-PHOSPHOCHOLINE (M+H)+sn-Glycero-3-phosphocholineME248056439285-0.7337633257.1025
STEAROYLCARNITINE (*) (M+H)+CAR 18:0ME24805752922056-21.9188427.3655
TETRADECENOYLCARNITINE (*) M+CAR 14:1ME24805822833575-18.999767370.2942
THEOBROMINE (M+H)+TheobromineME2480595429-3.5218506180.065
THEOPHYLLINE (M+H)+TheophyllineME2480602153-4.348543180.065
THEOPHYLLINE (M+Na)+TheophyllineME2480612153-4.4562693180.0648
THYROXINE (M+H)+ThyroxineME2480625819-16.244997776.6862
TRIMETHYLAMINE (M+H)+TrimethylamineME2480631146-0.6873326359.0733
TRYPTOPHAN (M+H)+TryptophanME2480646305-3.6637251204.089
TRYPTOPHAN (M+Na)+TryptophanME2480656305-3.6610398204.089
TYROSINE (M+H)+TyrosineME2480666057-1.3626505181.0736
TYROSINE (M+Na)+TyrosineME2480676057-1.3578354181.0725
URATE (M+H)+Uric acidME2480681175-1.0591782168.028
URSODIOL (M+Na)+Ursodeoxycholic acidME24806931401-21.714737392.2925
VALINE (M+H)+ValineME2480706287-0.91693157117.0792
ZEATIN [ISTD] (M+H)+trans-ZeatinME248071449093-3.9166963219.1124


Analysis: C18 HRMSMS NEGATIVE ION MODE

SelectMetabolite Name RefMet Name/Standardized Name* WorkBench
Metabolite_ID		 PubChem
Compound_ID		 Kegg Id Retention
time/index		 m/z ratio
Arachidonic acidArachidonic acidME248072444899-1.85303.2329
CL 66:1; [M-2H](2-)CL 66:1ME248073--6.25688.4861
CL 70:1; [M-2H](2-)CL 70:1ME248074--6.88716.5174
CL 70:3; [M-2H](2-)CL 70:3ME248075--6.46714.5018
CL 70:5; [M-2H](2-)CL 70:5ME248076--6.03712.4861
CL 72:3; [M-2H](2-)CL 72:3ME248077--6.74728.5174
CL 74:1; [M-2H](2-)CL 74:1ME248078--6.91744.5487
CL 74:4; [M-2H](2-)CL 74:4ME248079--6.05741.5252
CL 74:5; [M-2H](2-)CL 74:5ME248080--5.09740.5174
CL 74:7; [M-2H](2-)CL 74:7ME248081--6.21738.5018
CL 78:11; [M-2H](2-)CL 78:11ME248083--6.29762.5018
CL 78:1; [M-2H](2-)CL 78:1ME248082--8772.58
CL 78:3; [M-2H](2-)CL 78:3ME248084--6.99770.5644
CL 78:5; [M-2H](2-)CL 78:5ME248085--6.37768.5487
CL 78:7; [M-2H](2-)CL 78:7ME248086--6.9766.5331
CL 82:11; [M-2H](2-)CL 82:11ME248087--6.94790.5331
CL 82:13; [M-2H](2-)CL 82:13ME248088--6.41788.5174
CL 82:15; [M-2H](2-)CL 82:15ME248089--5.93786.5018
CL 82:9; [M-2H](2-)CL 82:9ME248090--7.1792.5487
FFA(16:0)Palmitic acidME248091--2.3255.2329
FFA(18:0)Stearic acidME2480925281-3.27283.2642
FFA(18:1)Octadecenoic acidME248093--2.5281.2486
FFA(18:2)Octadecadienoic acidME248094--1.92279.2329
FFA(20:0)Arachidic acidME24809510467-4.3311.2955
FFA(20:1)Heneicosenoic acidME248096--3.45309.2799
FFA(20:2)Eicosadienoic acidME248097--2.82307.2642
FFA(22:0)Behenic acidME2480988215-5.29339.3268
FFA(22:1)Docosenoic acidME248099--4.43337.3112
FFA(22:2)Docosadienoic acidME248100--3.76335.2955
FFA(22:3)Docosatrienoic acidME248101--3.18333.2799
FFA(24:0)Lignoceric acidME24810211197-6.21367.3581
FFA(24:1)Tetracosenoic acidME248103--5.36365.3425
FFA(24:2)Tetracosadienoic acidME248104--4.7363.3268
FFA(24:3)Tetracosatrienoic acidME24810552921854-4.07361.3112
IS PC 34:0;[M-Ac-H]-PC 34:0ME248106--7.08820.6073
IS PE 34:0 ;[M-H]-PE 34:0ME248107--7.24718.5392
IS PG 34:0 ;[M-H]-PG 34:0ME248108--6.24749.5333
IS PI 37:4 ;[M-H]-PI 37:4ME248109--5.5871.5342
IS PS 34:0 ;[M-H]-PS 34:0ME248110--6.2762.5291
lysoPE 16:0; [M-H]-LPE 16:0ME248111--1.69452.2777
lysoPE 16:1; [M-H]-LPE 16:1ME248112--1.3450.2621
lysoPE 17:0; [M-H]-LPE 17:0ME24811352925149-2.1466.2934
lysoPE 18:0; [M-H]-LPE 18:0ME248114--2.48480.309
lysoPE 18:1; [M-H]-LPE 18:1ME248115--1.85478.2934
lysoPE 18:2; [M-H]-LPE 18:2ME248116--1.39476.2777
lysoPE 20:3; [M-H]-LPE 20:3ME248117--1.65502.2934
lysoPE 20:4; [M-H]-LPE 20:4ME248118--1.37500.2777
lysoPE 22:4; [M-H]-LPE 22:4ME248119--1.9528.309
lysoPE 22:5; [M-H]-LPE 22:5ME248120--1.59526.2934
lysoPE 22:6; [M-H]-LPE 22:6ME248121--1.31524.2777
PA 20:2; [M-H]-PA 20:2ME248122--0.65475.2461
PA 30:3; [M-H]-PA 30:3ME248123--1613.387
PA 33:2; [M-H]-PA 33:2ME248124--1.96657.4495
PA 34:0; [M-H]-_R1PA 34:0ME248125--7.21675.4965
PA 34:0; [M-H]-_R2PA 34:0ME248126--7.69675.4965
PA 34:0; [M-H]-_R3PA 34:0ME248127--8.89675.4965
PA 36:2; [M-H]-PA 36:2ME248128--1.88699.4965
PA 38:2; [M-H]-PA 38:2ME248129--6.47727.5278
PA 39:2; [M-H]-PA 39:2ME248130--6.55741.5434
PC 28:0; [M-Ac-H]-PC 28:0ME248131--5.29736.5129
PC 29:0; [M-Ac-H]-PC 29:0ME248132--5.67750.5285
PC 30:0; [M-Ac-H]-PC 30:0ME248133--6764.5442
PC 30:1; [M-Ac-H]-PC 30:1ME248134--5.48762.5285
PC 31:0; [M-Ac-H]-PC 31:0ME248135--6.24778.5598
PC 32:0; [M-Ac-H]-_R1PC 32:0ME248136--6.59792.5754
PC 32:0; [M-Ac-H]-_R2PC 32:0ME248137--6.66792.5754
PC 32:1; [M-Ac-H]-_R1PC 32:1ME248138--6.12790.5598
PC 32:1; [M-Ac-H]-_R2PC 32:1ME248139--6.18790.5598
PC 32:2; [M-Ac-H]-PC 32:2ME248140--5.65788.5442
PC 32:3; [M-Ac-H]-PC 32:3ME248141--5.26786.5285
PC 33:0; [M-Ac-H]-PC 33:0ME248142--6.92806.5911
PC 33:1; [M-Ac-H]-PC 33:1ME248143--6.47804.5754
PC 33:2; [M-Ac-H]-PC 33:2ME248144--6802.5598
PC 34:0; [M-Ac-H]-PC 34:0ME248145--7.28820.6068
PC 34:1; [M-Ac-H]-PC 34:1ME248146--6.7818.5911
PC 34:2; [M-Ac-H]-PC 34:2ME248147--6.29816.5754
PC 34:3; [M-Ac-H]-PC 34:3ME248148--5.85814.5598
PC 34:4; [M-Ac-H]-PC 34:4ME248149--5.6812.5442
PC 34:5; [M-Ac-H]-PC 34:5ME248150--5.14810.5285
PC 35:1; [M-Ac-H]-PC 35:1ME248151--7.09832.6068
PC 35:2; [M-Ac-H]-PC 35:2ME248152--6.6830.5911
PC 35:3; [M-Ac-H]-PC 35:3ME248153--6.14828.5754
PC 35:4; [M-Ac-H]-PC 35:4ME248154--5.97826.5598
PC 36:0; [M-Ac-H]-PC 36:0ME248155--7.9848.6381
PC 36:1; [M-Ac-H]-PC 36:1ME248156--7.35846.6224
PC 36:2; [M-Ac-H]-PC 36:2ME248157--6.89844.6068
PC 36:3; [M-Ac-H]-PC 36:3ME248158--6.44842.5911
PC 36:4; [M-Ac-H]-PC 36:4ME248159--6.11840.5754
PC 36:5; [M-Ac-H]-PC 36:5ME248160--5.73838.5598
PC 36:6; [M-Ac-H]-PC 36:6ME248161--5.5836.5442
PC 37:2; [M-Ac-H]-PC 37:2ME248162--7.29858.6224
PC 37:3; [M-Ac-H]-PC 37:3ME248163--6.79856.6068
PC 37:4; [M-Ac-H]-PC 37:4ME248164--6.59854.5911
PC 37:5; [M-Ac-H]-PC 37:5ME248165--6.08852.5754
PC 37:6; [M-Ac-H]-PC 37:6ME248166--5.83850.5598
PC 38:2; [M-Ac-H]-PC 38:2ME248167--7.53872.6381
PC 38:3; [M-Ac-H]-PC 38:3ME248168--7.14870.6224
PC 38:4; [M-Ac-H]-PC 38:4ME248169--6.79868.6068
PC 38:5; [M-Ac-H]-PC 38:5ME248170--6.43866.5911
PC 38:6; [M-Ac-H]-PC 38:6ME248171--6.07864.5754
PC 38:7; [M-Ac-H]-PC 38:7ME248172--5.58862.5598
PC 39:4; [M-Ac-H]-PC 39:4ME248173--7.25882.6224
PC 39:6; [M-Ac-H]-PC 39:6ME248174--6.47878.5911
PC 40:2; [M-Ac-H]-PC 40:2ME248175--8.12900.6694
PC 40:4; [M-Ac-H]-PC 40:4ME248176--7.41896.6381
PC 40:5; [M-Ac-H]-PC 40:5ME248177--7.07894.6224
PC 40:6; [M-Ac-H]-PC 40:6ME248178--6.76892.6068
PC 40:7; [M-Ac-H]-PC 40:7ME248179--6.26890.5911
PC 40:8; [M-Ac-H]-PC 40:8ME248180--5.81888.5754
PC 42:10; [M-Ac-H]-PC 42:10ME248182--5.76912.5754
PC 42:1; [M-Ac-H]-PC 42:1ME248181--9.1930.7163
PC 42:6; [M-Ac-H]-PC 42:6ME248183--7.2920.6381
PC 42:9; [M-Ac-H]-PC 42:9ME248184--5.98914.5911
PE 32:0; [M-H]-PE 32:0ME248185--6.73690.5074
PE 32:1; [M-H]-PE 32:1ME248186--6.25688.4917
PE 34:0; [M-H]-PE 34:0ME248187--7.27718.5387
PE 34:1; [M-H]-PE 34:1ME248188--6.86716.5231
PE 34:2; [M-H]-_R1PE 34:2ME248189--4.9714.5074
PE 34:2; [M-H]-_R2PE 34:2ME248190--6.4714.5074
PE 34:3; [M-H]-PE 34:3ME248191--6.05712.4917
PE 35:2; [M-H]-PE 35:2ME248192--6.73728.5231
PE 36:0; [M-H]-PE 36:0ME248193--7.87746.57
PE 36:1; [M-H]-PE 36:1ME248194--7.44744.5543
PE 36:2; [M-H]-_R1PE 36:2ME248195--5.54742.5387
PE 36:2; [M-H]-_R2PE 36:2ME248196--6.29742.5387
PE 36:2; [M-H]-_R3PE 36:2ME248197--7.03742.5387
PE 36:3; [M-H]-_R1PE 36:3ME248198--5.14740.5231
PE 36:3; [M-H]-_R2PE 36:3ME248199--6.55740.5231
PE 36:4; [M-H]-PE 36:4ME248200--6.25738.5074
PE 36:5; [M-H]-PE 36:5ME248201--6.03736.4917
PE 37:4; [M-H]-PE 37:4ME248202--6.69752.5231
PE 38:1; [M-H]-PE 38:1ME248203--7.93772.5856
PE 38:3; [M-H]-_R1PE 38:3ME248204--6.35768.5543
PE 38:3; [M-H]-_R2PE 38:3ME248205--7.25768.5543
PE 38:4; [M-H]-_R1PE 38:4ME248206--5.54766.5387
PE 38:4; [M-H]-_R2PE 38:4ME248207--6.89766.5387
PE 38:4; [M-H]-_R3PE 38:4ME248208--7.03766.5387
PE 38:5; [M-H]-_R1PE 38:5ME248209--5.71764.5231
PE 38:5; [M-H]-_R2PE 38:5ME248210--6.54764.5231
PE 38:6; [M-H]-PE 38:6ME248211--6.18762.5074
PE 39:6; [M-H]-PE 39:6ME248212--6.61776.5231
PE 40:4; [M-H]-PE 40:4ME248213--7.41794.57
PE 40:5; [M-H]-_R1PE 40:5ME248214--6.32792.5543
PE 40:5; [M-H]-_R2PE 40:5ME248215--7.13792.5543
PE 40:6; [M-H]-_R1PE 40:6ME248216--5.86790.5387
PE 40:6; [M-H]-_R2PE 40:6ME248217--6.92790.5387
PE 40:7; [M-H]-PE 40:7ME248218--6.41788.5231
PE 40:8; [M-H]-PE 40:8ME248219--5.93786.5074
PG 27:0; [M-H]-PG 27:0ME248220--8.04651.4237
PG 33:0; [M-H]-PG 33:0ME248221--6.04735.5176
PG 33:1; [M-H]-PG 33:1ME248222--6.48733.5019
PG 34:0; [M-H]-PG 34:0ME248223--6.26749.5333
PG 36:0; [M-H]-PG 36:0ME248224--6.86777.5646
PG 36:2; [M-H]-PG 36:2ME248225--6.05773.5333
PG 38:4; [M-H]-PG 38:4ME248226--6.05797.5333
PI 32:1; [M-H]-PI 32:1ME248227--5.03807.5024
PI 34:1; [M-H]-PI 34:1ME248228--5.67835.5337
PI 34:2; [M-H]-PI 34:2ME248229--5.22833.518
PI 36:2; [M-H]-PI 36:2ME248230--5.87861.5493
PI 36:4; [M-H]-PI 36:4ME248231--5.21857.518
PI 37:4; [M-H]-PI 37:4ME248232--5.55871.5337
PI 38:3; [M-H]-PI 38:3ME248233--6.07887.5649
PI 38:4; [M-H]-PI 38:4ME248234--5.86885.5493
PI 38:5; [M-H]-PI 38:5ME248235--5.37883.5337
PI 38:6; [M-H]-PI 38:6ME248236--5.09881.518
PI 40:5; [M-H]-PI 40:5ME248237--6.03911.5649
PI 40:6; [M-H]-PI 40:6ME248238--5.77909.5493
plasmenyl-PE 32:1; [M-H]-PE P-32:1ME248239--6.59672.4968
plasmenyl-PE 34:0; [M-H]-PE P-34:0ME248240--7.47702.5438
plasmenyl-PE 34:1; [M-H]-PE P-34:1ME248241--7.19700.5281
plasmenyl-PE 34:2; [M-H]-PE P-34:2ME248242--6.73698.5124
plasmenyl-PE 34:3; [M-H]-PE P-34:3ME248243--6.36696.4968
plasmenyl-PE 36:1; [M-H]-PE P-36:1ME248244--7.75728.5594
plasmenyl-PE 36:2; [M-H]-PE P-36:2ME248245--7.35726.5438
plasmenyl-PE 36:3; [M-H]-PE P-36:3ME248246--6.91724.5281
plasmenyl-PE 36:4; [M-H]-PE P-36:4ME248247--6.67722.5124
plasmenyl-PE 36:5; [M-H]-PE P-36:5ME248248--6.33720.4968
plasmenyl-PE 38:1; [M-H]-PE P-38:1ME248249--8.26756.5907
plasmenyl-PE 38:2; [M-H]-PE P-38:2ME248250--7.91754.5751
plasmenyl-PE 38:3; [M-H]-PE P-38:3ME248251--7.56752.5594
plasmenyl-PE 38:4; [M-H]-PE P-38:4ME248252--7.27750.5438
plasmenyl-PE 38:5; [M-H]-PE P-38:5ME248253--6.78748.5281
plasmenyl-PE 38:6; [M-H]-PE P-38:6ME248254--6.58746.5124
plasmenyl-PE 40:3; [M-H]-PE P-40:3ME248255--8.05780.5907
plasmenyl-PE 40:4; [M-H]-PE P-40:4ME248256--7.81778.5751
plasmenyl-PE 40:5; [M-H]-PE P-40:5ME248257--7.4776.5594
plasmenyl-PE 40:6; [M-H]-PE P-40:6ME248258--7.2774.5438
plasmenyl-PE 42:5; [M-H]-PE P-42:5ME248259--7.89804.5907
plasmenyl-PE 42:6; [M-H]-PE P-42:6ME248260--7.77802.5751
PS 34:0; [M-H]-PS 34:0ME248261--6.26762.5285
PS 38:4; [M-H]-PS 38:4ME248262--6.01810.5285


Analysis: C18 HRMSMS POSITIVE ION MODE

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]+CE 16:0ME248263246520-11.07642.6189
CE(16:1); [M+NH4]+CE 16:1ME248264--10.74640.6032
CE(18:0); [M+NH4]+CE 18:0ME248265118246-11.41670.6502
CE(18:1); [M+NH4]+CE 18:1ME2482665283632-10.98668.6345
CE(18:2); [M+NH4]+CE 18:2ME2482675287939-10.81666.6189
CE(18:3); [M+NH4]+CE 18:3ME2482686436907-10.55664.6032
CE(20:1); [M+NH4]+CE 20:1ME24826916061337-11.35696.6659
CE(20:2); [M+NH4]+CE 20:2ME24827016061338-11.12694.6502
CE(20:3); [M+NH4]+CE 20:3ME24827114274976-10.83692.6345
CE(20:4); [M+NH4]+CE 20:4ME2482726479222-10.62690.6189
CE(20:5); [M+NH4]+CE 20:5ME24827310372299-10.47688.6032
CE(22:4); [M+NH4]+CE 22:4ME24827416061341-10.9718.6502
CE(22:5); [M+NH4]+CE 22:5ME24827542608400-10.75716.6345
CE(22:6); [M+NH4]+CE 22:6ME24827614274978-10.53714.6189
Cer(d34:1)[M+H]+Cer 34:1;O2ME248277--6.9538.5194
Cer(d36:1)[M+H]+Cer 36:1;O2ME248278--7.49566.5507
Cer(d42:1)[M+H]+Cer 42:1;O2ME248280--8.95650.6446
Cer(d42:1)[M+H-H2O]Cer 42:1;O2ME248279--8.96632.6345
Cer(d42:1)[M+Na]+Cer 42:1;O2ME248281--8.97672.6265
Cer(d42:2)[M+H]+Cer 42:2;O2ME2482825283568-8.55648.6289
Cer(d42:2)[M+Na]+Cer 42:2;O2ME2482835283568-8.57670.6109
CerP(t39:1)[M+H]+-ME248286--5.92704.5589
Cer(t44:1)[M+H]+Cer 44:1;O3ME248284--8.74694.6708
Cer(t45:1)[M+H]+Cer 45:1;O3ME248285--8.95708.6865
DG 30:0; [M+NH4]+DG 30:0ME248287--7.4558.5094
DG 30:1; [M+NH4]+DG 30:1ME248288--7556.4938
DG 32:0; [M+NH4]+DG 32:0ME248289--7.96586.5407
DG 32:1; [M+NH4]+DG 32:1ME248290--7.53584.5251
DG 32:2; [M+NH4]+DG 32:2ME248291--7.09582.5094
DG 33:1; [M+NH4]+DG 33:1ME248292--7.76598.5407
DG 33:2; [M+NH4]+DG 33:2ME248293--7.38596.5251
DG 34:0; [M+NH4]+DG 34:0ME248294--8.46614.572
DG 34:2; [M+NH4]+DG 34:2ME248295--7.64610.5407
DG 34:3; [M+NH4]+DG 34:3ME248296--7.21608.5251
DG 35:1; [M+NH4]+DG 35:1ME248297--8.28626.572
DG 35:2; [M+NH4]+DG 35:2ME248298--7.87624.5564
DG 36:0; [M+NH4]+DG 36:0ME248299--8.88642.6033
DG 36:1; [M+NH4]+DG 36:1ME248300--8.53640.5877
DG 36:2; [M+NH4]+DG 36:2ME248301--8.1638.572
DG 36:3; [M+NH4]+DG 36:3ME248302--7.72636.5564
DG 36:4; [M+NH4]+DG 36:4ME248303--7.37634.5407
DG 36:5; [M+NH4]+DG 36:5ME248304--7.04632.5251
DG 38:2; [M+NH4]+DG 38:2ME248305--8.61666.6033
DG 38:3; [M+NH4]+DG 38:3ME248306--8.25664.5877
DG 38:4; [M+NH4]+DG 38:4ME248307--7.9662.572
DG 38:5; [M+NH4]+DG 38:5ME248308--7.69660.5564
DG 38:6; [M+NH4]+DG 38:6ME248309--7.31658.5407
DG 40:5; [M+NH4]+DG 40:5ME248310--8.1688.5877
DG 40:6; [M+NH4]+DG 40:6ME248311--7.76686.572
DG 40:7; [M+NH4]+DG 40:7ME248312--7.58684.5564
DG 40:8; [M+NH4]+DG 40:8ME248313--7.19682.5407
IS CE 17:0; [M+NH4]+CE 17:0ME24831424779605-11.27656.634
IS Ceramide;[M-H20]+-ME248315--7.06534.524
IS D31-TAG-ME248316--10.47918.3543
IS d5-DAG-ME248324--9.29675.6663
IS DG 34:1; [M+NH4]+DG 34:1ME248317--8.02612.5561
IS lysoPC 17:0;[M+H]+LPC 17:0ME24832524779463-2.02510.356
IS MG 17:0; [M+NH4]+MG 17:0ME248318107036-3.16362.3265
IS PC 34:0; [M+H]+PC 34:0ME248319--7.32762.6007
IS PE 34:0; [M+H]+PE 34:0ME248320--7.32720.5538
IS PS 34:0;[M+H]+PS 34:0ME248321--6.3764.5436
IS SM 35:1;[M+H]+-ME248322--6.11717.5905
IS TG 51:0; [M+NH4]+TG 51:0ME248323--10.89866.8171
lysoPC 14:0; [M+H]+LPC 14:0ME248541--1.1468.309
lysoPC 15:0; [M+H]+LPC 15:0ME24854224779458-1.27482.3246
lysoPC 16:0; [M+H]+LPC 16:0ME248543--1.61496.3403
lysoPC 16:0; [M+Na]+LPC 16:0ME248544--1.48518.3223
lysoPC 16:1; [M+H]+LPC 16:1ME248545--1.22494.3246
lysoPC 17:1; [M+H]+LPC 17:1ME248546--1.5508.3403
lysoPC 18:0; [M+H]+_R1LPC 18:0ME248547--1.82524.3716
lysoPC 18:0; [M+H]+_R2LPC 18:0ME248548--2.44524.3716
lysoPC 18:1; [M+H]+_R1LPC 18:1ME248549--1.72522.356
lysoPC 18:1; [M+H]+_R2LPC 18:1ME248550--1.87522.356
lysoPC 18:2; [M+H]+LPC 18:2ME248551--1.4520.3403
lysoPC 18:2; [M+Na]+LPC 18:2ME248552--1.2542.3223
lysoPC 18:3; [M+H]+LPC 18:3ME248553--1.11518.3246
lysoPC 19:0; [M+H]+LPC 19:0ME24855424779472-2.94538.3873
lysoPC 20:0; [M+H]+LPC 20:0ME24855524779473-3.41552.4029
lysoPC 20:1; [M+H]+LPC 20:1ME248556--2.61550.3873
lysoPC 20:2; [M+H]+LPC 20:2ME24855752924053-2.03548.3716
lysoPC 20:3; [M+H]+LPC 20:3ME248558--1.59546.356
lysoPC 20:4; [M+H]+LPC 20:4ME248559--1.29544.3403
lysoPC 20:5; [M+H]+LPC 20:5ME24856011757087-1.07542.3246
lysoPC 22:0; [M+H]+LPC 22:0ME24856124779479-4.35580.4342
lysoPC 22:4; [M+H]+LPC 22:4ME24856252924039-1.85572.3716
lysoPC 22:5; [M+H]+LPC 22:5ME248563--1.51570.356
lysoPC 22:6; [M+H]+LPC 22:6ME24856410415542-1.24568.3403
lysoPC 24:0; [M+H]+LPC 24:0ME24856524779481-5.28608.4655
lysoPC 24:1; [M+H]+LPC 24:1ME24856653480477-4.37606.4498
lysoPE 16:0; [M+H]+LPE 16:0ME248567--1.73454.2934
lysoPE 18:0; [M+H]+LPE 18:0ME248568--2.54482.3246
lysoPE 18:1; [M+H]+LPE 18:1ME248569--1.88480.309
lysoPE 18:2; [M+H]+LPE 18:2ME248570--1.4478.2934
lysoPE 20:4; [M+H]+LPE 20:4ME248571--1.32502.2934
lysoPE 22:6; [M+H]+LPE 22:6ME248572--1.27526.2933
MG 17:0; [M+NH4]+MG 17:0ME248326107036-3.34362.327
MG 18:1; [M+NH4]+MG 18:1ME248327--2.97374.327
MG 18:2; [M+NH4]+MG 18:2ME2483285283469-2.38372.3114
PC 21:4; [M+H]+PC 21:4ME248329--1.31572.3352
PC 30:0; [M+Na]+PC 30:0ME248330--6.1728.5206
PC 32:0; [M+Na]+PC 32:0ME248331--6.78756.5519
PC 32:1; [M+Na]+PC 32:1ME248332--6.17754.5363
PC 32:2; [M+Na]+PC 32:2ME248333--5.71752.5206
PC 32:3; [M+H]+PC 32:3ME248334--5.35728.523
PC 32:4; [M+H]+PC 32:4ME248335--5.56726.5074
PC 33:2; [M+Na]+PC 33:2ME248336--6.12766.5363
PC 33:3; [M+H]+PC 33:3ME248337--5.62742.5387
PC 34:0; [M+H]+PC 34:0ME248338--7.35762.6013
PC 34:1; [M+Na]+PC 34:1ME248339--14.39782.5676
PC 34:3; [M+Na]+PC 34:3ME248340--5.94778.5363
PC 34:4; [M+H]+PC 34:4ME248341--6.18754.5387
PC 34:4; [M+Na]+PC 34:4ME248342--5.68776.5206
PC 34:5; [M+H]+PC 34:5ME248343--5.7752.523
PC 35:4; [M+H]+PC 35:4ME248344--5.99768.5543
PC 35:5; [M+H]+PC 35:5ME248345--6.11766.5387
PC 36:2; [M+H]+PC 36:2ME248346--7.08786.6013
PC 36:3; [M+H]+PC 36:3ME248347--8.96784.5856
PC 36:4; [M+Na]+PC 36:4ME248348--6.1804.5519
PC 36:6; [M+H]+PC 36:6ME248349--5.86778.5387
PC 36:7; [M+H]+PC 36:7ME248350--5.53776.523
PC 37:1; [M+H]+PC 37:1ME248351--7.77802.6326
PC 37:6; [M+H]+PC 37:6ME248352--5.82792.5543
PC 38:4; [M+H]+PC 38:4ME248353--5.43810.6013
PC 38:5; [M+H]+PC 38:5ME248354--5.2808.5856
PC 38:6; [M+Na]+PC 38:6ME248355--6.16828.5519
PC 38:7; [M+H]+PC 38:7ME248356--5.33804.5543
PC 38:8; [M+H]+PC 38:8ME248357--6.02802.5387
PC 39:3; [M+H]+PC 39:3ME248358--7.52826.6326
PC 39:4; [M+H]+PC 39:4ME248359--7.36824.617
PC 40:10; [M+H]+PC 40:10ME248360--5.59826.5387
PC 40:4; [M+H]+PC 40:4ME248361--7.64838.6326
PC 40:9; [M+H]+PC 40:9ME248362--6.2828.5543
PC 42:10; [M+H]+PC 42:10ME248363--5.79854.57
PC 42:7; [M+H]+PC 42:7ME248364--6.93860.617
PE 34:0; [M+H]+_R1PE 34:0ME248365--6.32720.5543
PE 34:0; [M+H]+_R2PE 34:0ME248366--7.35720.5543
PE 34:1; [M+H]+PE 34:1ME248367--6.91718.5387
PE 34:2; [M+H]+PE 34:2ME248368--6.45716.523
PE 34:2; [M+Na]+PE 34:2ME248369--6.02738.505
PE 36:1; [M+H]+PE 36:1ME248370--7.49746.57
PE 36:2; [M+H]+PE 36:2ME248371--7.09744.5543
PE 36:3; [M+H]+PE 36:3ME248372--6.58742.5387
PE 36:3; [M+Na]+PE 36:3ME248373--6.29764.5206
PE 36:4; [M+H]+PE 36:4ME248374--6.42740.523
PE 36:5; [M+H]+PE 36:5ME248375--6.03738.5074
PE 38:4; [M+H]+PE 38:4ME248376--7.07768.5543
PE 38:5; [M+H]+PE 38:5ME248377--6.71766.5387
PE 38:6; [M+H]+PE 38:6ME248378--6.31764.523
PE 40:6; [M+H]+PE 40:6ME248379--6.94792.5543
plasmenyl-PC 18:0; [M+Na]+PC P-18:0ME248573--1.86544.3379
plasmenyl-PE 34:1; [M+H]+PE P-34:1ME248574--7.24702.5438
plasmenyl-PE 34:2; [M+H]+PE P-34:2ME248575--6.81700.5281
plasmenyl-PE 36:1; [M+H]+PE P-36:1ME248576--7.8730.5751
plasmenyl-PE 36:2; [M+H]+PE P-36:2ME248577--7.41728.5594
plasmenyl-PE 36:4; [M+H]+PE P-36:4ME248578--6.73724.5281
plasmenyl-PE 36:5; [M+H]+PE P-36:5ME248579--6.43722.5125
plasmenyl-PE 38:2; [M+H]+PE P-38:2ME248580--7.96756.5907
plasmenyl-PE 38:3; [M+H]+PE P-38:3ME248581--7.56754.5751
plasmenyl-PE 38:4; [M+H]+PE P-38:4ME248582--7.33752.5594
plasmenyl-PE 38:5; [M+H]+PE P-38:5ME248583--6.79750.5438
plasmenyl-PE 38:6; [M+H]+PE P-38:6ME248584--6.64748.5281
plasmenyl-PE 40:4; [M+H]+PE P-40:4ME248585--7.91780.5907
plasmenyl-PE 40:5; [M+H]+PE P-40:5ME248586--7.44778.5751
plasmenyl-PE 40:6; [M+H]+PE P-40:6ME248587--7.25776.5594
plasmenyl-PE 42:6; [M+H]+PE P-42:6ME248588--7.79804.5907
PS 34:0; [M+H]+PS 34:0ME248380--6.24764.5441
SM 21:1; [M]+SM 18:1;O2/21:1ME248381--1.35521.3719
SM 30:1; [M]+SM 30:1;O2ME248382--4.41647.5128
SM 31:1; [M]+SM 31:1;O2ME248383--4.8661.5284
SM 32:0; [M]+SM 32:0;O2ME24838444260138-5.5677.5597
SM 32:1; [M]+SM 32:1;O2ME24838611433862-5.28675.5441
SM 32:1; [M+Na]+SM 32:1;O2ME24838511433862-5.16697.5261
SM 32:2; [M]+SM 32:2;O2ME248387--4.54673.5284
SM 33:1; [M]+SM 33:1;O2ME24838952931139-5.58689.5597
SM 33:1; [M+Na]+SM 33:1;O2ME24838852931139-5.6711.5417
SM 33:2; [M]+SM 33:2;O2ME248390--5.01687.5441
SM 34:0; [M]+SM 34:0;O2ME2483919939965-6.18705.5911
SM 34:1; [M]+SM 34:1;O2ME248393--5.87703.5754
SM 34:1; [M+Na]+SM 34:1;O2ME248392--5.93725.5573
SM 34:2; [M]+SM 34:2;O2ME248395--5.33701.5597
SM 34:2; [M+Na]+SM 34:2;O2ME248394--5.33723.5417
SM 35:0; [M]+SM 35:0;O2ME248396--6.52719.6067
SM 35:1; [M]+SM 35:1;O2ME248397--6.1717.5911
SM 35:2; [M]+SM 35:2;O2ME248398--5.73715.5754
SM 36:0; [M]+SM 36:0;O2ME24839952931167-6.9733.6224
SM 36:1; [M]+SM 36:1;O2ME24840044260139-6.55731.6067
SM 36:2; [M]+SM 36:2;O2ME248402--6.07729.5911
SM 36:2; [M+Na]+SM 36:2;O2ME248401--6.12751.573
SM 37:0; [M]+SM 37:0;O2ME248403--7.23747.638
SM 37:1; [M]+SM 37:1;O2ME248404--6.95745.6224
SM 37:2; [M]+SM 37:2;O2ME248405--6.47743.6067
SM 38:0; [M]+SM 38:0;O2ME24840644260131-7.47761.6536
SM 38:1; [M]+SM 38:1;O2ME248408--7.34759.638
SM 38:1; [M+Na]+SM 38:1;O2ME248407--7.3781.6199
SM 38:2; [M]+SM 38:2;O2ME248409--6.75757.6224
SM 38:4; [M]+SM 38:4;O2ME248410--5.66753.5911
SM 38:5; [M]+SM 38:5;O2ME248411--6.1751.5754
SM 39:0; [M]+SM 39:0;O2ME248412--7.81775.6693
SM 39:1; [M]+SM 39:1;O2ME248413--7.55773.6536
SM 39:2; [M]+SM 39:2;O2ME248414--7.08771.638
SM 39:4; [M]+SM 39:4;O2ME248415--6.69767.6067
SM 40:1; [M]+SM 40:1;O2ME248417--7.82787.6693
SM 40:1; [M+Na]+SM 40:1;O2ME248416--7.85809.6513
SM 40:2; [M]+_R1SM 40:2;O2ME248418--6.63785.6536
SM 40:2; [M]+_R2SM 40:2;O2ME248419--7.44785.6536
SM 40:4; [M]+SM 40:4;O2ME248420--6.49781.6224
SM 41:1; [M]+SM 41:1;O2ME248422--8.18801.6849
SM 41:1; [M+Na]+SM 41:1;O2ME248421--8.17823.6669
SM 41:2; [M]+SM 41:2;O2ME248424--7.75799.6693
SM 41:2; [M+Na]+SM 41:2;O2ME248423--7.73821.6513
SM 42:1; [M]+SM 42:1;O2ME24842644260133-8.44815.7006
SM 42:1; [M+Na]+SM 42:1;O2ME24842544260133-8.44837.6826
SM 42:2; [M]+SM 42:2;O2ME248428--7.86813.6849
SM 42:2; [M+Na]+SM 42:2;O2ME248427--7.91835.6669
SM 42:4; [M]+SM 42:4;O2ME248429--6.96809.6536
SM 42:5; [M]+_R1SM 42:5;O2ME248430--6.61807.638
SM 42:5; [M]+_R2SM 42:5;O2ME248431--7.48807.638
SM 43:1; [M]+SM 43:1;O2ME248432--8.67829.7163
SM 43:2; [M]+SM 43:2;O2ME248433--8.16827.7006
SM 43:5; [M]+SM 43:5;O2ME248434--7.69821.6536
SM 44:1; [M]+SM 44:1;O2ME248435--8.98843.7319
SM 44:2; [M]+SM 44:2;O2ME248436--8.47841.7163
TG 40:0; [M+NH4]+TG 40:0ME248437--9.55712.6451
TG 40:1; [M+NH4]+TG 40:1ME248438--9.2710.6295
TG 42:0; [M+NH4]+TG 42:0ME248439--9.8740.6764
TG 42:1; [M+NH4]+TG 42:1ME248440--9.57738.6608
TG 42:2; [M+NH4]+TG 42:2ME248441--9.27736.6451
TG 44:1; [M+NH4]+TG 44:1ME248442--9.85766.6921
TG 44:2; [M+NH4]+TG 44:2ME248443--9.6764.6764
TG 46:0; [M+NH4]+TG 46:0ME248444--10.38796.739
TG 46:1; [M+NH4]+TG 46:1ME248445--10.13794.7233
TG 46:2; [M+NH4]+TG 46:2ME248446--9.87792.7077
TG 46:3; [M+NH4]+TG 46:3ME248447--9.65790.6921
TG 48:0; [M+NH4]+TG 48:0ME248448--10.62824.7702
TG 48:1; [M+Na]+TG 48:1ME248450--9.03827.71
TG 48:1; [M+NH4]+TG 48:1ME248449--10.38822.7546
TG 48:2; [M+NH4]+TG 48:2ME248451--10.16820.739
TG 48:3; [M+NH4]+TG 48:3ME248452--9.92818.7233
TG 49:0; [M+NH4]+TG 49:0ME248453--10.73838.7859
TG 49:1; [M+NH4]+TG 49:1ME248454--10.54836.7702
TG 49:2; [M+NH4]+TG 49:2ME248455--10.31834.7546
TG 49:3; [M+NH4]+TG 49:3ME248456--10.1832.739
TG 49:4; [M+NH4]+TG 49:4ME248457--9.89830.7233
TG 50:0; [M+NH4]+TG 50:0ME248458--10.87852.8015
TG 50:1; [M+Na]+_R1TG 50:1ME248461--10.3855.7413
TG 50:1; [M+Na]+_R2TG 50:1ME248462--9.35855.7413
TG 50:1; [M+NH4]+_R1TG 50:1ME248459--10.6850.7859
TG 50:1; [M+NH4]+_R2TG 50:1ME248460--11.34850.7859
TG 50:2; [M+Na]+TG 50:2ME248464--9.07853.7257
TG 50:2; [M+NH4]+TG 50:2ME248463--10.4848.7702
TG 50:3; [M+NH4]+TG 50:3ME248465--10.19846.7546
TG 50:4; [M+NH4]+TG 50:4ME248466--9.99844.739
TG 50:5; [M+NH4]+TG 50:5ME248467--9.79842.7233
TG 51:1; [M+NH4]+_R1TG 51:1ME248468--10.18864.8015
TG 51:1; [M+NH4]+_R2TG 51:1ME248469--10.76864.8015
TG 51:2; [M+NH4]+_R1TG 51:2ME248470--10.57862.7859
TG 51:2; [M+NH4]+_R2TG 51:2ME248471--9.92862.7859
TG 51:3; [M+NH4]+TG 51:3ME248472--10.37860.7702
TG 51:4; [M+NH4]+TG 51:4ME248473--10.17858.7546
TG 51:5; [M+NH4]+TG 51:5ME248474--9.97856.739
TG 52:0; [M+NH4]+TG 52:0ME248475--11.09880.8328
TG 52:1; [M+NH4]+TG 52:1ME248476--10.88878.8172
TG 52:2; [M+NH4]+_R1TG 52:2ME248477--10.64876.8015
TG 52:2; [M+NH4]+_R2TG 52:2ME248478--9.93876.8015
TG 52:3; [M+NH4]+_R1TG 52:3ME248479--10.45874.7859
TG 52:3; [M+NH4]+_R2TG 52:3ME248480--11.36874.7859
TG 52:4; [M+NH4]+_R1TG 52:4ME248481--10.24872.7702
TG 52:4; [M+NH4]+_R2TG 52:4ME248482--9.34872.7702
TG 52:5; [M+NH4]+_R1TG 52:5ME248483--10.05870.7546
TG 52:5; [M+NH4]+_R2TG 52:5ME248484--9.1870.7546
TG 52:6; [M+NH4]+TG 52:6ME248485--9.88868.739
TG 52:7; [M+NH4]+TG 52:7ME248486--9.67866.7233
TG 53:0; [M+NH4]+TG 53:0ME248487--11.22894.8484
TG 53:1; [M+NH4]+TG 53:1ME248488--11.01892.8328
TG 53:2; [M+NH4]+TG 53:2ME248489--10.81890.8172
TG 53:3; [M+NH4]+TG 53:3ME248490--10.6888.8015
TG 53:4; [M+NH4]+TG 53:4ME248491--10.4886.7859
TG 53:5; [M+NH4]+TG 53:5ME248492--10.22884.7702
TG 53:6; [M+NH4]+TG 53:6ME248493--10.03882.7546
TG 53:7; [M+NH4]+TG 53:7ME248494--9.83880.739
TG 54:0; [M+NH4]+TG 54:0ME248495--11.37908.8641
TG 54:1; [M+NH4]+TG 54:1ME248496--11.13906.8484
TG 54:2; [M+NH4]+TG 54:2ME248497--10.91904.8328
TG 54:3; [M+NH4]+TG 54:3ME248498--10.72902.8172
TG 54:4; [M+NH4]+_R1TG 54:4ME248499--10.52900.8015
TG 54:4; [M+NH4]+_R2TG 54:4ME248500--9.7900.8015
TG 54:5; [M+NH4]+_R1TG 54:5ME248501--10.32898.7859
TG 54:5; [M+NH4]+_R2TG 54:5ME248502--9.44898.7859
TG 54:6; [M+NH4]+TG 54:6ME248503--10.11896.7702
TG 54:7; [M+NH4]+TG 54:7ME248504--9.96894.7546
TG 54:8; [M+NH4]+TG 54:8ME248505--9.78892.739
TG 55:1; [M+NH4]+TG 55:1ME248506--11.27920.8641
TG 55:2; [M+NH4]+TG 55:2ME248507--11.02918.8484
TG 55:3; [M+NH4]+TG 55:3ME248508--10.84916.8328
TG 55:6; [M+NH4]+TG 55:6ME248509--10.36910.7859
TG 55:8; [M+Li]+TG 55:8ME248510--9.7895.7363
TG 56:0; [M+NH4]+TG 56:0ME248511--11.66936.8954
TG 56:10; [M+NH4]+TG 56:10ME248512--9.7916.739
TG 56:1; [M+NH4]+TG 56:1ME248513--11.39934.8797
TG 56:2; [M+NH4]+TG 56:2ME248514--11.16932.8641
TG 56:3; [M+NH4]+TG 56:3ME248515--10.95930.8484
TG 56:4; [M+NH4]+TG 56:4ME248516--10.78928.8328
TG 56:5; [M+NH4]+_R1TG 56:5ME248517--10.62926.8172
TG 56:5; [M+NH4]+_R2TG 56:5ME248518--9.89926.8172
TG 56:6; [M+NH4]+TG 56:6ME248519--10.44924.8015
TG 56:7; [M+NH4]+TG 56:7ME248520--10.27922.7859
TG 56:8; [M+NH4]+TG 56:8ME248521--10.08920.7702
TG 56:9; [M+NH4]+TG 56:9ME248522--9.88918.7546
TG 57:1; [M+NH4]+TG 57:1ME248523--11.51948.8954
TG 57:2; [M+NH4]+TG 57:2ME248524--11.29946.8797
TG 57:3; [M+NH4]+TG 57:3ME248525--11.1944.8641
TG 58:10; [M+NH4]+TG 58:10ME248526--10.02944.7702
TG 58:11; [M+NH4]+TG 58:11ME248527--9.82942.7546
TG 58:1; [M+NH4]+TG 58:1ME248528--11.67962.911
TG 58:2; [M+NH4]+TG 58:2ME248529--11.43960.8954
TG 58:3; [M+NH4]+TG 58:3ME248530--11.2958.8797
TG 58:4; [M+NH4]+TG 58:4ME248531--10.97956.8641
TG 58:5; [M+NH4]+TG 58:5ME248532--10.87954.8484
TG 58:6; [M+NH4]+TG 58:6ME248533--10.65952.8328
TG 58:7; [M+NH4]+TG 58:7ME248534--10.56950.8172
TG 58:8; [M+NH4]+TG 58:8ME248535--10.37948.8015
TG 58:9; [M+NH4]+TG 58:9ME248536--10.18946.7859
TG 60:11; [M+NH4]+TG 60:11ME248537--10.15970.7859
TG 60:12; [M+NH4]+TG 60:12ME248538--9.92968.7702
TG 60:1; [M+NH4]+TG 60:1ME248539--11.96990.9423
TG 62:14; [M+NH4]+TG 62:14ME248540--9.85992.7702


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