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Analysis: Reversed phase NEGATIVE ION MODE

SelectMetabolite Name RefMet Name/Standardized Name* WorkBench
Metabolite_ID		 PubChem
Compound_ID		 Kegg Id Retention
time/index		 m/z ratio
Cer(d15:0_26:1)+CH3COOCer 15:0;O2/26:1ME640320---694.6354975
Cer(d15:0_26:2)+CH3COOCer 15:0;O2/26:2ME640321---692.6198475
Cer(d16:1_24:1)+CH3COOCer 16:1;O2/24:1ME640319---678.6041975
Cer(d18:1_16:0)+CH3COOCer 18:1;O2/16:0ME640311---596.5259475
Cer(d18:1_16:0)-HCer 18:1;O2/16:0ME640312---536.5048175
Cer(d18:1_18:0)+CH3COOCer 18:1;O2/18:0ME640314---624.5572475
Cer(d18:1_22:0)+CH3COOCer 18:1;O2/22:0ME640317---680.6198475
Cer(d18:1_22:0)-HCer 18:1;O2/22:0ME640318---620.5987175
Cer(d18:1_24:0)+CH3COOCer 18:1;O2/24:0ME640322---708.6511475
Cer(d18:1_24:0)-HCer 18:1;O2/24:0ME640323---648.6300175
Cer(d18:1_24:1)+CH3COOCer 18:1;O2/24:1ME640324---706.6354975
Cer(d18:1_24:1)-HCer 18:1;O2/24:1ME640325---646.6143675
Cer(d18:2_16:0)+CH3COOCer 18:2;O2/16:0ME640313---594.5102975
Cer(d18:2_18:0)+CH3COOCer 18:2;O2/18:0ME640316---622.5415975
Cer(d18:2_24:1)+CH3COOCer 18:2;O2/24:1ME640326---704.6198475
Cer(d36:1)-HCer 36:1;O2ME640315---564.5361175
CL(14:0_18:1_18:1_16:0)-HCL 14:0_16:0_18:1_18:1ME640328---1375.964955
CL(15:0_18:1_16:0_18:1)-HCL 15:0_16:0_18:1_18:1ME640329---1389.980605
CL(17:1_18:1_18:1_18:2)-HCL 17:1_18:1_18:1_18:2ME640342---1439.996255
CL(18:1_16:0_16:0_18:1)-HCL 16:0_16:0_18:1_18:1ME640331---1403.996255
CL(18:1_16:0_18:1_16:1)-HCL 16:0_16:1_18:1_18:1ME640333---1401.980605
CL(18:1_16:0_18:1_18:1)-HCL 16:0_18:1_18:1_18:1ME640337---1430.011905
CL(18:2_16:1_16:1_18:1)-HCL 16:1_16:1_18:1_18:2ME640335---1397.949305
CL(18:2_16:1_18:1_18:2)-HCL 16:1_18:1_18:2_18:2ME640339---1423.964955
CL(18:2_18:1_18:2_18:1)-HCL 18:1_18:1_18:2_18:2ME640344---1451.996255
CL(18:2_18:1_18:2_18:2)-HCL 18:1_18:2_18:2_18:2ME640345---1449.980605
CL(21:0_20:4_16:0_18:1)-2HCL 16:0_18:1_20:4_21:0*ME640352---747.525789
CL(66:1)-2HCL 66:1ME640327---688.486664
CL(68:1)-2HCL 68:1ME640330---702.502314
CL(68:2)-2HCL 68:2ME640332---701.494489
CL(68:4)-HCL 68:4ME640334---1399.964955
CL(69:3)-HCL 69:3ME640336---1415.996255
CL(70:3)-2HCL 70:3ME640338---714.502314
CL(71:3)-2HCL 71:3ME640340---721.510139
CL(71:5)-2HCL 71:5ME640341---719.494489
CL(72:3)-2HCL 72:3ME640343---728.517964
CL(73:5)-2HCL 73:5ME640346---733.510139
CL(74:1)-2HCL 74:1ME640347---744.549264
CL(74:2)-2HCL 74:2ME640348---743.541439
CL(74:3)-2HCL 74:3ME640349---742.533614
CL(74:5)-2HCL 74:5ME640350---740.517964
CL(74:7)-2HCL 74:7ME640351---738.502314
CL(75:7)-2HCL 75:7ME640353---745.510139
CL(76:3)-2HCL 76:3ME640354---756.549264
CL(76:7)-2HCL 76:7ME640355---752.517964
CL(77:6)-2HCL 77:6ME640356---760.533614
CL(78:1)-2HCL 78:1ME640357---772.580564
CL(78:7)-2HCL 78:7ME640358---766.533614
CL(78:9)-2HCL 78:9ME640359---764.517964
CL(79:5)-2HCL 79:5ME640360---775.557089
CL(79:6)-2HCL 79:6ME640361---774.549264
CL(79:7)-2HCL 79:7ME640362---773.541439
CL(80:0)-2HCL 80:0ME640363---787.604039
CL(82:11)-2HCL 82:11ME640364---790.533614
CL(82:7)-2HCL 82:7ME640365---794.564914
CL(82:8)-2HCL 82:8ME640366---793.557089
CL(87:17)-2HCL 87:17ME640367---819.525789
GD1a(d42:2)-2HGD1a (42:2;O2)*ME640368---958.517889
GM1(d42:2)-2HGM1 42:2;O2ME640369---812.9701795
GM3(d42:2)-HGM3 42:2;O2ME640370---1261.815437
Hex1Cer(d16:0_18:1)+CH3COOHexCer 16:0;O2/18:1ME640371---758.5787725
Hex1Cer(d18:1_22:0)+CH3COOHexCer 18:1;O2/22:0ME640373---842.6726725
Hex1Cer(d18:1_24:0)+CH3COOHexCer 18:1;O2/24:0ME640375---870.7039725
Hex1Cer(d18:1_24:1)+CH3COOHexCer 18:1;O2/24:1ME640376---868.6883225
Hex1Cer(d36:1)+CH3COOHexCer 36:1;O2ME640372---786.6100725
Hex1Cer(d41:1)+CH3COOHexCer 41:1;O2ME640374---856.6883225
Hex1Cer(t16:0_20:5)-HHexCer 16:0;O3/20:5ME640378---734.5212575
Hex1Cer(t16:0_22:6)-HHexCer 16:0;O3/22:6ME640379---760.5369075
Hex1Cer(t36:4)-HHexCer 36:4;O3ME640377---736.5369075
Hex2Cer(d34:1)+CH3COOHex2Cer 34:1;O2ME640380---920.6315975
Hex2Cer(d40:1)+CH3COOHex2Cer 40:1;O2ME640381---1004.725498
Hex2Cer(d42:1)+CH3COOHex2Cer 42:1;O2ME640382---1032.756798
Hex2Cer(d42:2)-HHex2Cer 42:2;O2ME640383---970.7200175
Hex3Cer(d34:1)+CH3COOHex3Cer 34:1;O2ME640384---1082.684423
LPC(16:0)+CH3COOLPC 16:0ME640385---554.3463455
LPC(18:0)+CH3COOLPC 18:0ME640386---582.3776455
LPC(18:1)+CH3COOLPC 18:1ME640387---580.3619955
LPE(18:0)-HLPE 18:0ME640388---480.3095655
LPE(18:1)-HLPE 18:1ME640389---478.2939155
LPE(20:4)-HLPE 20:4ME640390---500.2782655
LPI(18:0)-HLPI 18:0ME640391---599.3201915
LPS(18:0)-HLPS 18:0ME640392---524.2993955
MLCL(48:2)-2HMLCL 48:2ME640393---554.3483565
MLCL(52:2)-2HMLCL 52:2ME640394---582.3796565
MLCL(52:4)-2HMLCL 52:4ME640395---580.3640065
MLCL(61:0)-2HMLCL 61:0ME640396---647.4657315
MLCL(61:2)-2HMLCL 61:2ME640397---645.4500815
PA(16:0_16:0)-HPA 16:0/16:0ME640398---647.4657315
PA(16:0_16:1)-HPA 16:0_16:1ME640399---645.4500815
PA(16:0_18:1)-HPA 16:0_18:1ME640400---673.4813815
PA(18:1_18:1)-HPA 18:1/18:1ME640401---699.4970315
PC(14:0_14:0)+CH3COOPC 14:0/14:0ME640402---736.5134105
PC(14:0_20:5)-CH3PC 14:0_20:5ME640425---736.4922805
PC(15:0_16:1)+CH3COOPC 15:0_16:1ME640408---776.5447105
PC(15:0_20:4)+CH3COOPC 15:0_20:4ME640428---826.5603605
PC(16:0_12:1)+CH3COOPC 12:1_16:0*ME640403---734.4977605
PC(16:0_14:0)-CH3PC 14:0_16:0ME640405---690.5079305
PC(16:0_14:0)+CH3COOPC 14:0_16:0ME640404---764.5447105
PC(16:0_16:0)+CH3COOPC 16:0/16:0ME640409---792.5760105
PC(16:0_16:1)+CH3COOPC 16:0_16:1ME640411---790.5603605
PC(16:0_17:0)+CH3COOPC 16:0_17:0ME640415---806.5916605
PC(16:0_17:0)+HCOOPC 16:0_17:0ME640414---792.5760105
PC(16:0_18:1)-CH3PC 16:0_18:1ME640419---744.5548805
PC(16:0_18:1)+CH3COOPC 16:0_18:1ME640420---818.5916605
PC(16:0_18:1)+HCOOPC 16:0_18:1ME640418---804.5760105
PC(16:0_20:4)+CH3COOPC 16:0_20:4ME640436---840.5760105
PC(16:0_22:1)+CH3COOPC 16:0_22:1ME640443---874.6542605
PC(16:0_22:4)-CH3PC 16:0_22:4ME640448---794.5705305
PC(16:0_22:4)+CH3COOPC 16:0_22:4ME640447---868.6073105
PC(16:0_22:6)-CH3PC 16:0_22:6ME640452---790.5392305
PC(16:0_24:1)+CH3COOPC 16:0_24:1ME640454---902.6855605
PC(16:0e_14:0)+CH3COOPC O-16:0/14:0ME640406---750.5654455
PC(16:0e_16:0)+CH3COOPC O-16:0/16:0ME640410---778.5967455
PC(16:0e_16:1)+CH3COOPC O-16:0/16:1ME640412---776.5810955
PC(16:0e_20:4)+CH3COOPC O-16:0/20:4ME640437---826.5967455
PC(16:1_14:0)+CH3COOPC 14:0_16:1ME640407---762.5290605
PC(16:1_16:1)+HCOOPC 16:1/16:1ME640413---774.5290605
PC(16:1_18:1)-CH3PC 16:1_18:1ME640423---742.5392305
PC(16:1_18:1)+CH3COOPC 16:1_18:1ME640422---816.5760105
PC(16:1_18:2)+CH3COOPC 16:1_18:2ME640424---814.5603605
PC(16:1e_22:5)+CH3COOPC O-16:1/22:5ME640453---850.5967455
PC(17:0_20:4)+CH3COOPC 17:0_20:4ME640441---854.5916605
PC(17:1_16:0)+CH3COOPC 16:0_17:1ME640416---804.5760105
PC(17:1_16:1)+CH3COOPC 16:1_17:1ME640417---802.5603605
PC(17:1_18:1)+HCOOPC 17:1_18:1ME640426---816.5760105
PC(17:1_18:2)+CH3COOPC 17:1_18:2ME640427---828.5760105
PC(17:1_20:4)+CH3COOPC 17:1_20:4ME640442---852.5760105
PC(18:0_18:1)+CH3COOPC 18:0_18:1ME640430---846.6229605
PC(18:0_18:1)+HCOOPC 18:0_18:1ME640431---832.6073105
PC(18:1_18:1)+CH3COOPC 18:1/18:1ME640432---844.6073105
PC(18:1_18:2)+CH3COOPC 18:1_18:2ME640434---842.5916605
PC(18:1_20:2)+CH3COOPC 18:1_20:2ME640446---870.6229605
PC(18:1_20:4)+CH3COOPC 18:1_20:4ME640449---866.5916605
PC(18:1_20:5)+CH3COOPC 18:1_20:5ME640451---864.5760105
PC(18:1_22:1)+CH3COOPC 18:1_22:1ME640455---900.6699105
PC(18:1_22:4)+CH3COOPC 18:1_22:4ME640456---894.6229605
PC(18:1_22:5)+CH3COOPC 18:1_22:5ME640457---892.6073105
PC(18:1_22:6)+CH3COOPC 18:1_22:6ME640459---890.5916605
PC(18:1_24:0)+CH3COOPC 18:1_24:0ME640461---930.7168605
PC(18:1_24:1)+CH3COOPC 18:1_24:1ME640462---928.7012105
PC(18:1e_16:0)+CH3COOPC O-18:1/16:0ME640421---804.6123955
PC(18:1e_18:1)+CH3COOPC P-18:0/18:1 or PC O-18:1/18:1ME640433---830.6280455
PC(18:1e_20:4)+CH3COOPC P-18:0/20:4 or PC O-18:1/20:4ME640450---852.6123955
PC(18:1e_22:5)+CH3COOPC O-18:1/22:5ME640458---878.6280455
PC(18:2_22:6)+CH3COOPC 18:2_22:6ME640460---888.5760105
PC(18:2e_18:1)+CH3COOPC O-18:2/18:1ME640435---828.6123955
PC(19:1_18:1)+CH3COOPC 18:1_19:1ME640438---858.6229605
PC(19:1_18:1)+HCOOPC 18:1_19:1ME640439---844.6073105
PC(19:1_18:2)+CH3COOPC 18:2_19:1ME640440---856.6073105
PC(20:0e_16:0)+CH3COOPC O-20:0/16:0ME640429---834.6593455
PC(20:0e_18:1)+HCOOPC O-20:0/18:1ME640444---846.6593455
PC(20:1_18:1)+CH3COOPC 18:1_20:1ME640445---872.6386105
PE(16:0_16:1)-HPE 16:0_16:1ME640463---688.4922805
PE(16:0_20:4)-HPE 16:0_20:4ME640473---738.5079305
PE(16:0_22:6)-HPE 16:0_22:6ME640485---762.5079305
PE(16:1_18:1)-HPE 16:1_18:1ME640466---714.5079305
PE(16:1e_16:0)-HPE O-16:1/16:0ME640464---674.5130155
PE(16:1e_18:2)-HPE O-16:1/18:2ME640467---698.5130155
PE(16:1e_20:4)-HPE O-16:1/20:4ME640474---722.5130155
PE(16:1e_20:5)-HPE O-16:1/20:5ME640475---720.4973655
PE(16:1e_22:6)-HPE O-16:1/22:6ME640486---746.5130155
PE(17:0_20:4)-HPE 17:0_20:4ME640478---752.5235805
PE(17:1_16:0)-HPE 16:0_17:1ME640465---702.5079305
PE(17:1_18:1)-HPE 17:1_18:1ME640468---728.5235805
PE(18:0_18:1)-HPE 18:0_18:1ME640469---744.5548805
PE(18:0_20:4)-HPE 18:0_20:4ME640482---766.5392305
PE(18:0_22:4)-HPE 18:0_22:4ME640489---794.5705305
PE(18:0_22:6)-HPE 18:0_22:6ME640491---790.5392305
PE(18:1_18:2)-HPE 18:1_18:2ME640471---740.5235805
PE(18:1_20:2)-HPE 18:1_20:2ME640481---768.5548805
PE(18:1_20:4)-HPE 18:1_20:4ME640483---764.5235805
PE(18:1_22:0)-HPE 18:1_22:0ME640487---800.6174805
PE(18:1_22:1)-HPE 18:1_22:1ME640488---798.6018305
PE(18:1_24:0)-HPE 18:1_24:0ME640495---828.6487805
PE(18:1_24:1)-HPE 18:1_24:1ME640496---826.6331305
PE(18:1e_18:1)-HPE O-18:1/18:1ME640470---728.5599655
PE(18:1e_20:4)-HPE O-18:1/20:4ME640484---750.5443155
PE(18:1e_22:4)-HPE O-18:1/22:4ME640490---778.5756155
PE(18:1e_22:5)-HPE O-18:1/22:5ME640492---776.5599655
PE(18:1e_22:6)-HPE O-18:1/22:6ME640493---774.5443155
PE(18:2e_18:1)-HPE O-18:2/18:1ME640472---726.5443155
PE(18:2e_22:6)-HPE O-18:2/22:6ME640494---772.5286655
PE(19:1_18:0)-HPE 18:0_19:1ME640476---758.5705305
PE(19:1_18:1)-HPE 18:1_19:1ME640477---756.5548805
PE(20:0_18:1)-HPE 18:1_20:0ME640479---772.5861805
PE(38:2e)-HPE O-38:2ME640480---756.5912655
PG(15:0_18:1)-HPG 15:0_18:1ME640499---733.5025115
PG(16:0_16:0)-HPG 16:0/16:0ME640497---721.5025115
PG(16:0_18:1)-HPG 16:0_18:1ME640500---747.5181615
PG(16:1_18:1)-HPG 16:1_18:1ME640501---745.5025115
PG(18:0_18:1)-HPG 18:0_18:1ME640502---775.5494615
PG(18:1_14:0)-HPG 14:0_18:1ME640498---719.4868615
PG(18:1_18:1)-HPG 18:1/18:1ME640503---773.5338115
PG(18:1_22:6)-HPG 18:1_22:6ME640504---819.5181615
PG(22:6_22:6)-HPG 22:6/22:6ME640505---865.5025115
PI(16:0_16:1)-HPI 16:0_16:1ME640506---807.5029065
PI(16:0_20:4)-HPI 16:0_20:4ME640511---857.5185565
PI(16:1_18:1)-HPI 16:1_18:1ME640507---833.5185565
PI(17:0_18:1)-HPI 17:0_18:1ME640508---849.5498565
PI(17:0_20:4)-HPI 17:0_20:4ME640513---871.5342065
PI(17:1_18:1)-HPI 17:1_18:1ME640509---847.5342065
PI(18:0_20:2)-HPI 18:0_20:2ME640514---889.5811565
PI(18:0_20:3)-HPI 18:0_20:3ME640515---887.5655065
PI(18:0_20:4)-HPI 18:0_20:4ME640516---885.5498565
PI(18:0_22:4)-HPI 18:0_22:4ME640521---913.5811565
PI(18:0_22:5)-HPI 18:0_22:5ME640522---911.5655065
PI(18:1_18:1)-HPI 18:1/18:1ME640510---861.5498565
PI(18:1_20:4)-HPI 18:1_20:4ME640517---883.5342065
PI(18:1_22:5)-HPI 18:1_22:5ME640523---909.5498565
PI(18:1_22:6)-HPI 18:1_22:6ME640524---907.5342065
PI(18:2_20:4)-HPI 18:2_20:4ME640518---881.5185565
PI(19:1_18:1)-HPI 18:1_19:1ME640512---875.5655065
PI(19:1_20:4)-HPI 19:1_20:4ME640520---897.5498565
PI(39:3)-HPI 39:3ME640519---901.5811565
PIP(16:0_13:0)-H-ME640525---847.4379395
PS(16:0_16:0)-HPS 16:0/16:0ME640526---734.4977605
PS(16:0_16:1)-HPS 16:0_16:1ME640527---732.4821105
PS(16:0_18:1)-HPS 16:0_18:1ME640528---760.5134105
PS(16:1_18:1)-HPS 16:1_18:1ME640529---758.4977605
PS(17:0_18:1)-HPS 17:0_18:1ME640530---774.5290605
PS(17:1_18:1)-HPS 17:1_18:1ME640531---772.5134105
PS(18:0_18:1)-HPS 18:0_18:1ME640532---788.5447105
PS(18:0_20:3)-HPS 18:0_20:3ME640535---812.5447105
PS(18:0_20:4)-HPS 18:0_20:4ME640536---810.5290605
PS(18:0_22:4)-HPS 18:0_22:4ME640537---838.5603605
PS(18:0_22:5)-HPS 18:0_22:5ME640538---836.5447105
PS(18:0_22:6)-HPS 18:0_22:6ME640539---834.5290605
PS(18:1_18:1)-HPS 18:1/18:1ME640533---786.5290605
PS(18:1_18:2)-HPS 18:1_18:2ME640534---784.5134105
PS(18:1_24:0)-HPS 18:1_24:0ME640540---872.6386105
SM(d32:1)+CH3COOSM 32:1;O2ME640541---733.5501295
SM(d34:1)+CH3COOSM 34:1;O2ME640542---761.5814295
SM(d34:2)+CH3COOSM 34:2;O2ME640543---759.5657795
SM(d36:1)+CH3COOSM 36:1;O2ME640544---789.6127295
SM(d36:2)+CH3COOSM 36:2;O2ME640545---787.5970795
SM(d40:1)+CH3COOSM 40:1;O2ME640546---845.6753295
SM(d40:2)+CH3COOSM 40:2;O2ME640547---843.6596795
SM(d41:1)+CH3COOSM 41:1;O2ME640548---859.6909795
SM(d41:2)+CH3COOSM 41:2;O2ME640549---857.6753295
SM(d42:1)+CH3COOSM 42:1;O2ME640550---873.7066295
SM(d42:2)+CH3COOSM 42:2;O2ME640551---871.6909795
SM(t34:1)+CH3COOSM 34:1;O3ME640552---777.5763445


Analysis: Reversed phase POSITIVE ION MODE

SelectMetabolite Name RefMet Name/Standardized Name* WorkBench
Metabolite_ID		 PubChem
Compound_ID		 Kegg Id Retention
time/index		 m/z ratio
AcCa(14:0)+HCAR 14:0ME640553---372.3108355
Cer(d16:1_22:0)+HCer 16:1;O2/22:0ME640559---594.5819705
Cer(d18:1_16:0)+HCer 18:1;O2/16:0ME640554---538.5193705
Cer(d18:1_16:0)+H-H2OCer 18:1;O2/16:0ME640555---520.5088055
Cer(d18:1_18:0)+HCer 18:1;O2/18:0ME640556---566.5506705
Cer(d18:1_22:0)+HCer 18:1;O2/22:0ME640560---622.6132705
Cer(d18:1_23:0)+HCer 18:1;O2/23:0ME640563---636.6289205
Cer(d18:1_24:0)+HCer 18:1;O2/24:0ME640566---650.6445705
Cer(d18:1_24:1)+HCer 18:1;O2/24:1ME640568---648.6289205
Cer(d18:1_25:0)+HCer 18:1;O2/25:0ME640572---664.6602205
Cer(d18:1_26:1)+HCer 18:1;O2/26:1ME640574---676.6602205
Cer(d18:2_18:0)+HCer 18:2;O2/18:0ME640558---564.5350205
Cer(d18:2_22:0)+HCer 18:2;O2/22:0ME640561---620.5976205
Cer(d18:2_23:0)+HCer 18:2;O2/23:0ME640565---634.6132705
Cer(d18:2_24:1)+HCer 18:2;O2/24:1ME640570---646.6132705
Cer(d36:1)+H-H2OCer 36:1;O2ME640557---548.5401055
Cer(d40:2)+H-H2OCer 40:2;O2ME640562---602.5870555
Cer(d41:1)+H-H2OCer 41:1;O2ME640564---618.6183555
Cer(d42:1)+H-H2OCer 42:1;O2ME640567---632.6340055
Cer(d42:2)+H-H2OCer 42:2;O2ME640569---630.6183555
Cer(d42:3)+H-H2OCer 42:3;O2ME640571---628.6027055
Cer(d44:1+O)+H-H2OCer 44:1;O3ME640573---676.6602205
CerG2GNAc1(d39:1)+H-ME640596---1135.782644
CerG2GNAc1(t39:0)+H-H2O-ME640597---1135.782644
Cer(t16:0_22:0)+H-H2OCer 16:0;O3/22:0ME640579---594.5819705
Cer(t18:0_16:0)+H-2H2OCer 18:0;O3/16:0ME640576---520.5088055
Cer(t18:0_16:0)+H-H2OCer 18:0;O3/16:0ME640575---538.5193705
Cer(t18:0_18:0)+H-2H2OCer 18:0;O3/18:0ME640578---548.5401055
Cer(t18:0_18:0)+H-H2OCer 18:0;O3/18:0ME640577---566.5506705
Cer(t18:0_22:0)+H-2H2OCer 18:0;O3/22:0ME640581---604.6027055
Cer(t18:0_22:0)+H-H2OCer 18:0;O3/22:0ME640580---622.6132705
Cer(t18:0_23:0)+H-H2OCer 18:0;O3/23:0ME640584---636.6289205
Cer(t18:0_24:0)+H-2H2OCer 18:0;O3/24:0ME640587---632.6340055
Cer(t18:0_24:0)+H-H2OCer 18:0;O3/24:0ME640588---650.6445705
Cer(t18:0_24:1)+H-2H2OCer 18:0;O3/24:1ME640590---630.6183555
Cer(t18:0_24:1)+H-H2OCer 18:0;O3/24:1ME640589---648.6289205
Cer(t18:0_25:0)+H-H2OCer 18:0;O3/25:0ME640593---664.6602205
Cer(t18:0_26:0)+H-H2OCer 18:0;O3/26:0ME640594---678.6758705
Cer(t18:0_26:1)+H-H2OCer 18:0;O3/26:1ME640595---676.6602205
Cer(t18:1_22:0)+H-H2OCer 18:1;O3/22:0ME640582---620.5976205
Cer(t18:1_23:0)+H-H2OCer 18:1;O3/23:0ME640586---634.6132705
Cer(t18:1_24:1)+H-2H2OCer 18:1;O3/24:1ME640592---628.6027055
Cer(t18:1_24:1)+H-H2OCer 18:1;O3/24:1ME640591---646.6132705
Cer(t40:1)+H-2H2OCer 40:1;O3ME640583---602.5870555
Cer(t41:0)+H-2H2OCer 41:0;O3ME640585---618.6183555
ChE(16:1)+NH4CE 16:1ME640599---640.6027055
ChE(18:1)+NH4CE 18:1ME640600---668.6340055
ChE(18:2)+NH4CE 18:2ME640601---666.6183555
ChE(18:3)+NH4CE 18:3ME640602---664.6027055
ChE(20:1)+NH4CE 20:1ME640603---696.6653055
ChE(20:2)+NH4CE 20:2ME640604---694.6496555
ChE(20:3)+NH4CE 20:3ME640605---692.6340055
ChE(20:4)+NH4CE 20:4ME640606---690.6183555
ChE(20:5)+NH4CE 20:5ME640607---688.6027055
ChE(22:1)+NH4CE 22:1ME640608---724.6966055
ChE(22:3)+NH4CE 22:3ME640609---720.6653055
ChE(22:4)+NH4CE 22:4ME640610---718.6496555
ChE(22:5)+NH4CE 22:5ME640611---716.6340055
ChE(22:6)+NH4CE 22:6ME640612---714.6183555
ChE(24:1)+NH4CE 24:1ME640613---752.7279055
ChE(24:3)+NH4CE 24:3ME640614---748.6966055
ChE(24:4)+NH4CE 24:4ME640615---746.6809555
ChE(24:5)+NH4CE 24:5ME640616---744.6653055
ChE(24:6)+NH4CE 24:6ME640617---742.6496555
ChE(26:2)+NH4CE 26:2ME640618---778.7435555
ChE(26:4)+NH4CE 26:4ME640619---774.7122555
ChE(26:5)+NH4CE 26:5ME640620---772.6966055
ChE(26:6)+NH4CE 26:6ME640621---770.6809555
ChE()+H-H2O-ME640598---369.3515765
CL(66:2)+HCL 66:2ME640622---1377.979507
CL(68:2)+HCL 68:2ME640623---1406.010807
CL(68:3)+HCL 68:3ME640624---1403.995157
CL(70:3)+HCL 70:3ME640625---1432.026457
CL(70:5)+HCL 70:5ME640626---1427.995157
CL(72:6)+HCL 72:6ME640627---1454.010807
CL(72:7)+HCL 72:7ME640628---1451.995157
Co(Q10)+HCoenzyme Q10ME640630---863.6911865
Co(Q10)+NH4Coenzyme Q10ME640629---880.7177355
DG(16:0_14:0)+NH4DG 14:0_16:0ME640633---558.5092005
DG(16:0_16:0)+HDG 16:0_16:0ME640636---569.5139515
DG(16:0_16:0)+NH4DG 16:0_16:0ME640635---586.5405005
DG(16:0_16:1)+NH4DG 16:0_16:1ME640638---584.5248505
DG(16:0_17:0)+NH4DG 16:0_17:0ME640643---600.5561505
DG(16:0_18:1)+NH4DG 16:0_18:1ME640646---612.5561505
DG(16:0_24:1)+NH4DG 16:0_24:1ME640670---696.6500505
DG(16:1_18:1)+NH4DG 16:1_18:1ME640649---610.5405005
DG(17:0_18:1)+NH4DG 17:0_18:1ME640653---626.5718005
DG(18:0_16:0)+HDG 16:0_18:0ME640645---597.5452515
DG(18:0_16:0)+NH4DG 16:0_18:0ME640644---614.5718005
DG(18:0_18:0)+HDG 18:0_18:0ME640655---625.5765515
DG(18:0_18:0)+NH4DG 18:0_18:0ME640654---642.6031005
DG(18:0_18:1)+NH4DG 18:0_18:1ME640656---640.5874505
DG(18:0_20:0)+NH4DG 18:0_20:0ME640665---670.6344005
DG(18:0_20:4)+NH4DG 18:0_20:4ME640668---662.5718005
DG(18:0_22:5)+NH4DG 18:0_22:5ME640671---688.5874505
DG(18:1_18:1)+NH4DG 18:1_18:1ME640657---638.5718005
DG(18:1_18:2)+NH4DG 18:1_18:2ME640659---636.5561505
DG(18:2e)+HDG O-18:2*ME640632---355.2842865
DG(20:0_18:1)+NH4DG 18:1_20:0ME640666---668.6187505
DG(20:1_18:1)+NH4DG 18:1_20:1ME640667---666.6031005
DG(26:0_16:0)+NH4DG 16:0_26:0ME640672---726.6970005
DG(26:1_16:0)+NH4DG 16:0_26:1ME640673---724.6813505
DG(30:0e)+NaDG O-30:0ME640634---549.4853315
DG(32:0e)+NaDG O-32:0ME640637---577.5166315
DG(32:1e)+NaDG O-32:1ME640639---575.5009815
DG(32:2e)+HDG O-32:2ME640640---551.5033865
DG(32:2e)+NaDG O-32:2ME640641---573.4853315
DG(32:3e)+HDG O-32:3ME640642---549.4877365
DG(34:1e)+NaDG O-34:1ME640648---603.5322815
DG(34:1)+HDG 34:1ME640647---595.5296015
DG(34:2e)+NaDG O-34:2ME640650---601.5166315
DG(34:3e)+HDG O-34:3ME640651---577.5190365
DG(34:4e)+HDG O-34:4ME640652---575.5033865
DG(36:2e)+HDG O-36:2ME640658---607.5659865
DG(36:3e)+HDG O-36:3ME640660---605.5503365
DG(36:3e)+NaDG O-36:3ME640661---627.5322815
DG(36:4e)+HDG O-36:4ME640663---603.5346865
DG(36:4e)+NaDG O-36:4ME640662---625.5166315
DG(36:5e)+HDG O-36:5ME640664---601.5190365
DG(38:5)+NH4DG 38:5ME640669---660.5561505
DG(9:0_9:0)+HDG 9:0_9:0ME640631---373.2948515
GM3(d34:1)+HGM3 34:1;O2ME640674---1153.720439
GM3(d36:1)+HGM3 36:1;O2ME640675---1181.751739
GM3(d40:1)+HGM3 40:1;O2ME640676---1237.814339
GM3(d42:1)+HGM3 42:1;O2ME640677---1265.845639
GM3(d42:2)+HGM3 42:2;O2ME640678---1263.829989
GM3(t40:0)+H-H2OGM3 ( 40:0;O3)*ME640679---1237.814339
GM3(t42:0+O)+H-2H2O-ME640680---1263.829989
Hex1Cer(d18:1_16:0)+HHexCer 18:1;O2/16:0ME640681---700.5721955
Hex1Cer(d18:1_18:0)+HHexCer 18:1;O2/18:0ME640682---728.6034955
Hex1Cer(d18:1_23:0)+HHexCer 18:1;O2/23:0ME640684---798.6817455
Hex1Cer(d18:1_24:0)+HHexCer 18:1;O2/24:0ME640685---812.6973955
Hex1Cer(d18:1_24:1)+HHexCer 18:1;O2/24:1ME640687---810.6817455
Hex1Cer(d18:1_25:0)+HHexCer 18:1;O2/25:0ME640689---826.7130455
Hex1Cer(d18:1_26:0)+HHexCer 18:1;O2/26:0ME640690---840.7286955
Hex1Cer(d36:1)+H-H2OHexCer 36:1;O2ME640683---710.5929305
Hex1Cer(d42:1)+H-H2OHexCer 42:1;O2ME640686---794.6868305
Hex1Cer(d42:2)+H-H2OHexCer 42:2;O2ME640688---792.6711805
Hex1Cer(t18:0_23:0)+H-H2OHexCer 18:0;O3/23:0ME640691---798.6817455
Hex1Cer(t18:0_24:0)+H-H2OHexCer 18:0;O3/24:0ME640692---812.6973955
Hex1Cer(t42:0)+H-2H2OHexCer 42:0;O3ME640693---794.6868305
Hex2Cer(d18:1_22:0)+HHex2Cer 18:1;O2/22:0ME640694---946.7189205
Hex2Cer(d18:1_22:1)+HHex2Cer 18:1;O2/22:1ME640695---944.7032705
Hex2Cer(d18:1_23:0)+HHex2Cer 18:1;O2/23:0ME640696---960.7345705
Hex2Cer(d18:1_23:1)+H-ME640697---958.7189205
Hex2Cer(d18:1_24:0)+HHex2Cer 18:1;O2/24:0ME640698---974.7502205
Hex2Cer(d18:1_24:1)+HHex2Cer 18:1;O2/24:1ME640700---972.7345705
Hex2Cer(d18:1_24:2)+HHex2Cer 18:1;O2/24:2ME640701---970.7189205
Hex2Cer(d18:1_25:1)+H-ME640702---986.7502205
Hex2Cer(d18:1_26:1)+HHex2Cer 18:1;O2/26:1ME640703---1000.76587
Hex2Cer(d42:1)+H-H2OHex2Cer 42:1;O2ME640699---956.7396555
Hex2Cer(t18:0_22:0)+H-H2O-ME640704---946.7189205
Hex2Cer(t18:0_23:0)+H-H2O-ME640705---960.7345705
Hex2Cer(t18:0_24:0)+H-H2O-ME640706---974.7502205
Hex2Cer(t18:0_24:1)+H-H2O-ME640707---972.7345705
Hex2Cer(t42:1)+H-2H2OHex2Cer 42:1;O3ME640708---954.7240055
Hex3Cer(d18:1_16:0)+HHex3Cer 18:1;O2/16:0ME640709---1024.677845
Hex3Cer(d18:1_22:0)+HHex3Cer 18:1;O2/22:0ME640710---1108.771745
Hex3Cer(d18:1_24:0)+HHex3Cer 18:1;O2/24:0ME640711---1136.803045
Hex3Cer(d18:1_24:1)+HHex3Cer 18:1;O2/24:1ME640712---1134.787395
Hex3Cer(d42:3)+HHex3Cer 42:3;O2*ME640713---1132.771745
Hex3Cer(t18:0_16:0)+H-H2O-ME640714---1024.677845
Hex3Cer(t18:0_22:0)+H-H2O-ME640715---1108.771745
Hex3Cer(t18:0_24:0)+H-H2O-ME640716---1136.803045
Hex3Cer(t18:0_24:1)+H-H2O-ME640717---1134.787395
LPC(14:0)+HLPC 14:0ME640718---468.3084685
LPC(16:0e)+HLPC O-16:0ME640720---482.3605035
LPC(16:0)+HLPC 16:0ME640719---496.3397685
LPC(16:1e)+HLPC O-16:1ME640722---480.3448535
LPC(16:1)+HLPC 16:1ME640721---494.3241185
LPC(17:0)+HLPC 17:0ME640723---510.3554185
LPC(18:0e)+HLPC O-18:0ME640725---510.3918035
LPC(18:0)+HLPC 18:0ME640724---524.3710685
LPC(18:1e)+HLPC O-18:1ME640727---508.3761535
LPC(18:1)+HLPC 18:1ME640726---522.3554185
LPC(18:2)+HLPC 18:2ME640728---520.3397685
LPC(20:4)+HLPC 20:4ME640729---544.3397685
LPC(28:0)+HLPC 28:0ME640730---664.5275685
LPE(16:0)+HLPE 16:0ME640731---454.2928185
LPE(18:0)+HLPE 18:0ME640732---482.3241185
LPE(18:1)+HLPE 18:1ME640733---480.3084685
LPE(22:5)+HLPE 22:5ME640734---528.3084685
LPS(18:0)+HLPS 18:0ME640735---526.3139485
LPS(18:1)+HLPS 18:1ME640736---524.2982985
LSM(d20:1)+HLSM 20:1;O2*ME640737---493.3764875
LSM(d20:2)+HLSM 20:2;O2*ME640738---491.3608375
MG(14:0)+HMG 14:0ME640739---303.2529865
MG(16:0)+HMG 16:0ME640740---331.2842865
MG(16:0)+NH4MG 16:0ME640741---348.3108355
MG(17:0)+HMG 17:0ME640742---345.2999365
MG(18:0)+HMG 18:0ME640743---359.3155865
MG(18:0)+NH4MG 18:0ME640744---376.3421355
MG(18:1)+HMG 18:1ME640745---357.2999365
MG(18:2)+HMG 18:2ME640746---355.2842865
MG(20:0)+HMG 20:0ME640747---387.3468865
MG(32:0)+HMG 32:0ME640748---555.5346865
MG(34:0)+HMG 34:0ME640749---583.5659865
PC(14:1e_16:0)+HPC O-14:1/16:0ME640759---690.5432185
PC(14:1e_20:4)+HPC O-14:1/20:4ME640783---738.5432185
PC(16:0_16:0)+HPC 16:0/16:0ME640766---734.5694335
PC(16:0_16:1)+HPC 16:0_16:1ME640768---732.5537835
PC(16:0_18:1)+HPC 16:0_18:1ME640777---760.5850835
PC(16:1_13:0)+HPC 13:0_16:1ME640755---690.5068335
PC(16:1_21:0)+HPC 16:1_21:0ME640799---802.6320335
PC(17:1_17:0)+HPC 17:0_17:1ME640778---760.5850835
PC(18:1_13:0)+HPC 13:0_18:1ME640763---718.5381335
PC(18:1_21:1)+HPC 18:1_21:1ME640819---828.6476835
PC(20:4e_18:0)+HPC O-20:4_18:0*ME640811---796.6214685
PC(21:0_10:2)+HPC 10:2_21:0*ME640764---716.5224835
PC(22:6_13:0)+HPC 13:0_22:6ME640788---764.5224835
PC(26:0)+HPC 26:0ME640750---650.4755335
PC(28:0)+HPC 28:0ME640751---678.5068335
PC(28:1)+HPC 28:1ME640752---676.4911835
PC(29:0)+HPC 29:0ME640753---692.5224835
PC(29:1)+HPC 29:1ME640754---690.5068335
PC(30:0e)+HPC O-30:0ME640757---692.5588685
PC(30:0)+HPC 30:0ME640756---706.5381335
PC(30:1)+HPC 30:1ME640758---704.5224835
PC(30:2)+HPC 30:2ME640760---702.5068335
PC(31:0)+HPC 31:0ME640761---720.5537835
PC(31:1)+HPC 31:1ME640762---718.5381335
PC(31:2)+HPC 31:2ME640765---716.5224835
PC(32:0e)+HPC O-32:0ME640767---720.5901685
PC(32:1e)+HPC O-32:1ME640769---718.5745185
PC(32:2)+HPC 32:2ME640770---730.5381335
PC(32:3)+HPC 32:3ME640771---728.5224835
PC(33:0)+HPC 33:0ME640772---748.5850835
PC(33:1)+HPC 33:1ME640773---746.5694335
PC(33:2)+HPC 33:2ME640774---744.5537835
PC(33:4)+HPC 33:4ME640775---740.5224835
PC(34:0)+HPC 34:0ME640776---762.6007335
PC(34:1e)+HPC O-34:1ME640779---746.6058185
PC(34:2)+HPC 34:2ME640780---758.5694335
PC(34:3)+HPC 34:3ME640781---756.5537835
PC(34:4)+HPC 34:4ME640782---754.5381335
PC(35:1)+HPC 35:1ME640784---774.6007335
PC(35:2)+HPC 35:2ME640785---772.5850835
PC(35:3)+HPC 35:3ME640786---770.5694335
PC(35:4)+HPC 35:4ME640787---768.5537835
PC(36:1e)+HPC O-36:1ME640790---774.6371185
PC(36:1)+HPC 36:1ME640789---788.6163835
PC(36:2e)+HPC O-36:2ME640792---772.6214685
PC(36:2)+HPC 36:2ME640791---786.6007335
PC(36:3)+HPC 36:3ME640793---784.5850835
PC(36:4e)+HPC O-36:4ME640795---768.5901685
PC(36:4)+HPC 36:4ME640794---782.5694335
PC(36:5e)+HPC O-36:5ME640797---766.5745185
PC(36:5)+HPC 36:5ME640796---780.5537835
PC(36:6)+HPC 36:6ME640798---778.5381335
PC(37:2)+HPC 37:2ME640800---800.6163835
PC(37:3)+HPC 37:3ME640801---798.6007335
PC(37:4)+HPC 37:4ME640802---796.5850835
PC(37:5)+HPC 37:5ME640803---794.5694335
PC(37:6)+HPC 37:6ME640804---792.5537835
PC(38:0e)+HPC O-38:0ME640805---804.6840685
PC(38:1e)+HPC O-38:1ME640807---802.6684185
PC(38:1)+HPC 38:1ME640806---816.6476835
PC(38:2)+HPC 38:2ME640808---814.6320335
PC(38:3)+HPC 38:3ME640809---812.6163835
PC(38:4)+HPC 38:4ME640810---810.6007335
PC(38:5e)+HPC O-38:5ME640813---794.6058185
PC(38:5)+HPC 38:5ME640812---808.5850835
PC(38:6e)+HPC O-38:6ME640815---792.5901685
PC(38:6)+HPC 38:6ME640814---806.5694335
PC(38:7)+HPC 38:7ME640816---804.5537835
PC(39:1)+HPC 39:1ME640817---830.6633335
PC(39:2)+HPC 39:2ME640818---828.6476835
PC(39:4)+HPC 39:4ME640820---824.6163835
PC(39:5)+HPC 39:5ME640821---822.6007335
PC(39:6)+HPC 39:6ME640822---820.5850835
PC(39:7)+HPC 39:7ME640823---818.5694335
PC(40:0)+HPC 40:0ME640824---846.6946335
PC(40:1e)+HPC O-40:1ME640826---830.6997185
PC(40:1)+HPC 40:1ME640825---844.6789835
PC(40:2)+HPC 40:2ME640827---842.6633335
PC(40:3)+HPC 40:3ME640828---840.6476835
PC(40:4e)+HPC O-40:4ME640830---824.6527685
PC(40:4)+HPC 40:4ME640829---838.6320335
PC(40:5e)+HPC O-40:5ME640832---822.6371185
PC(40:5)+HPC 40:5ME640831---836.6163835
PC(40:6e)+HPC O-40:6ME640834---820.6214685
PC(40:6)+HPC 40:6ME640833---834.6007335
PC(40:7)+HPC 40:7ME640835---832.5850835
PC(40:8)+HPC 40:8ME640836---830.5694335
PC(41:2)+HPC 41:2ME640837---856.6789835
PC(41:7)+HPC 41:7ME640838---846.6007335
PC(42:1)+HPC 42:1ME640839---872.7102835
PC(42:2e)+HPC O-42:2ME640841---856.7153685
PC(42:2)+HPC 42:2ME640840---870.6946335
PC(42:3)+HPC 42:3ME640842---868.6789835
PC(42:4e)+HPC O-42:4ME640844---852.6840685
PC(42:4)+HPC 42:4ME640843---866.6633335
PC(42:5e)+HPC O-42:5ME640846---850.6684185
PC(42:5)+HPC 42:5ME640845---864.6476835
PC(42:6e)+HPC O-42:6ME640848---848.6527685
PC(42:6)+HPC 42:6ME640847---862.6320335
PC(42:7)+HPC 42:7ME640849---860.6163835
PC(42:8)+HPC 42:8ME640850---858.6007335
PC(42:9)+HPC 42:9ME640851---856.5850835
PC(43:2)+HPC 43:2ME640852---884.7102835
PC(44:10)+HPC 44:10ME640854---882.6007335
PC(44:11)+HPC 44:11ME640855---880.5850835
PC(44:1)+HPC 44:1ME640853---900.7415835
PC(44:2)+HPC 44:2ME640856---898.7259335
PC(44:3)+HPC 44:3ME640857---896.7102835
PC(44:4)+HPC 44:4ME640858---894.6946335
PC(44:5e)+HPC O-44:5ME640859---878.6997185
PC(44:6e)+HPC O-44:6ME640861---876.6840685
PC(44:6)+HPC 44:6ME640860---890.6633335
PC(44:7)+HPC 44:7ME640862---888.6476835
PC(44:8)+HPC 44:8ME640863---886.6320335
PC(44:9)+HPC 44:9ME640864---884.6163835
PE(16:0_18:1)+HPE 16:0_18:1ME640877---718.5381335
PE(16:0_20:4)+HPE 16:0_20:4ME640891---740.5224835
PE(16:0_20:5)+HPE 16:0_20:5ME640893---738.5068335
PE(16:0_22:6)+HPE 16:0_22:6ME640904---764.5224835
PE(16:0e)+HPE O-16:0ME640865---454.2928185
PE(16:0p_16:0)+HPE P-16:0/16:0 or PE O-16:1/16:0ME640873---676.5275685
PE(16:0p_18:1)+HPE P-16:0/18:1ME640878---702.5432185
PE(16:0p_18:2)+HPE P-16:0/18:2ME640880---700.5275685
PE(16:0p_20:4)+HPE P-16:0/20:4 or PE O-16:1/20:4ME640892---724.5275685
PE(16:0p_20:5)+HPE P-16:0/20:5 or PE O-16:1/20:5ME640894---722.5119185
PE(16:0p_22:4)+HPE P-16:0/22:4 or PE O-16:1/22:4ME640901---752.5588685
PE(16:0p_22:5)+HPE P-16:0/22:5ME640903---750.5432185
PE(16:0p_22:6)+HPE P-16:0/22:6 or PE O-16:1/22:6ME640905---748.5275685
PE(16:1_18:1)+HPE 16:1_18:1ME640879---716.5224835
PE(18:0_18:1)+HPE 18:0_18:1ME640883---746.5694335
PE(18:0_20:1)+NaPE 18:0_20:1ME640898---796.5826785
PE(18:0_20:4)+HPE 18:0_20:4ME640900---768.5537835
PE(18:0_22:4)+HPE 18:0_22:4ME640906---796.5850835
PE(18:0_22:5)+HPE 18:0_22:5ME640908---794.5694335
PE(18:0_22:6)+HPE 18:0_22:6ME640910---792.5537835
PE(18:0e)+HPE O-18:0ME640866---482.3241185
PE(18:0p_18:1)+HPE P-18:0/18:1ME640884---730.5745185
PE(18:0p_22:4)+HPE P-18:0/22:4 or PE O-18:1/22:4ME640907---780.5901685
PE(18:0p_22:5)+HPE P-18:0/22:5 or PE O-18:1/22:5ME640909---778.5745185
PE(18:1_18:1)+HPE 18:1/18:1ME640885---744.5537835
PE(18:1_18:1)+NaPE 18:1/18:1ME640886---766.5357285
PE(18:1_18:2)+HPE 18:1_18:2ME640889---742.5381335
PE(18:1_18:2)+NaPE 18:1_18:2ME640890---764.5200785
PE(18:1_20:4)+HPE 18:1_20:4ME640902---766.5381335
PE(18:1e)+HPE O-18:1ME640867---480.3084685
PE(18:1p_18:1)+HPE P-18:1/18:1 or PE O-18:2/18:1ME640888---728.5588685
PE(18:1p_22:5)+HPE P-18:1/22:5ME640912---776.5588685
PE(18:1p_22:6)+HPE P-18:1/22:6 or PE O-18:2/22:6ME640913---774.5432185
PE(20:0p_22:5)+HPE P-20:0/22:5 or PE O-20:1/22:5ME640915---806.6058185
PE(20:3e)+NaPE O-20:3ME640868---526.2904135
PE(20:4e)+HPE O-20:4ME640869---502.2928185
PE(22:5e)+HPE O-22:5ME640870---528.3084685
PE(31:2e)+LiPE O-31:2ME640871---666.5044435
PE(31:3e)+LiPE O-31:3ME640872---664.4887935
PE(32:1e)+HPE O-32:1ME640874---676.5275685
PE(32:2e)+HPE O-32:2ME640875---674.5119185
PE(33:2e)+HPE O-33:2ME640876---688.5275685
PE(34:3e)+HPE O-34:3ME640881---700.5275685
PE(35:4e)+LiPE O-35:4ME640882---718.5357435
PE(36:2e)+HPE O-36:2ME640887---730.5745185
PE(36:6e)+HPE O-36:6ME640895---722.5119185
PE(37:4e)+LiPE O-37:4ME640896---746.5670435
PE(37:5e)+HPE O-37:5ME640897---738.5432185
PE(38:3)+NaPE 38:3ME640899---792.5513785
PE(40:6e)+HPE O-40:6ME640911---778.5745185
PE(42:1)+HPE 42:1ME640914---830.6633335
PE(42:6e)+HPE O-42:6ME640916---806.6058185
PE(42:7e)+HPE O-42:7ME640917---804.5901685
PE(43:5e)+LiPE O-43:5ME640918---828.6452935
PE(44:0)+LiPE 44:0ME640919---866.7184585
PE(45:7)+NaPE 45:7*ME640920---882.5983285
PE(46:0)+LiPE 46:0ME640921---894.7497585
PE(46:1)+LiPE 46:1ME640922---892.7341085
PE(47:0)+LiPE 47:0ME640923---908.7654085
PE(47:1)+LiPE 47:1ME640924---906.7497585
PE(48:0)+LiPE 48:0ME640925---922.7810585
PE(48:1)+LiPE 48:1ME640926---920.7654085
PE(48:2)+LiPE 48:2ME640927---918.7497585
PE(49:1)+LiPE 49:1ME640928---934.7810585
PE(49:2)+LiPE 49:2ME640929---932.7654085
PE(50:1)+LiPE 50:1ME640930---948.7967085
PE(50:2)+LiPE 50:2ME640931---946.7810585
PE(50:3)+LiPE 50:3ME640932---944.7654085
PE(51:4)+LiPE 51:4ME640933---956.7654085
PE(52:0)+LiPE 52:0ME640934---978.8436585
PE(52:2)+LiPE 52:2ME640935---974.8123585
PE(52:3)+LiPE 52:3ME640936---972.7967085
PE(52:4)+LiPE 52:4ME640937---970.7810585
PE(52:5)+LiPE 52:5ME640938---968.7654085
PE(54:1)+LiPE 54:1ME640939---1004.859308
PE(54:4)+LiPE 54:4ME640940---998.8123585
PE(54:5)+LiPE 54:5ME640941---996.7967085
PE(54:6)+LiPE 54:6ME640942---994.7810585
PG(16:0_18:1)+HPG 16:0_18:1ME640945---749.5327145
PG(16:0_18:1)+NH4PG 16:0_18:1ME640944---766.5592635
PG(18:1_18:1)+NH4PG 18:1/18:1ME640947---792.5749135
PG(18:1_22:6)+NH4PG 18:1_22:6ME640948---838.5592635
PG(22:6_22:6)+NH4PG 22:6/22:6ME640949---884.5436135
PG(32:1)+NH4PG 32:1ME640943---738.5279635
PG(34:2)+NH4PG 34:2ME640946---764.5436135
PI(16:0_20:4)+HPI 16:0_20:4ME640959---859.5331095
PI(16:0_20:4)+NH4PI 16:0_20:4ME640958---876.5596585
PI(17:0_20:4)+NH4PI 17:0_20:4ME640960---890.5753085
PI(18:0_18:1)+NaPI 18:0_18:1ME640952---887.5620045
PI(18:0_18:1)+NH4PI 18:0_18:1ME640953---882.6066085
PI(18:0_20:4)+HPI 18:0_20:4ME640965---887.5644095
PI(18:0_20:4)+NH4PI 18:0_20:4ME640964---904.5909585
PI(18:0_22:5)+NH4PI 18:0_22:5ME640968---930.6066085
PI(18:0_22:6)+NH4PI 18:0_22:6ME640969---928.5909585
PI(18:1_18:1)+HPI 18:1/18:1ME640954---863.5644095
PI(18:1_18:1)+NaPI 18:1/18:1ME640956---885.5463545
PI(18:1_18:1)+NH4PI 18:1/18:1ME640955---880.5909585
PI(18:1_20:4)+NH4PI 18:1_20:4ME640966---902.5753085
PI(24:1_10:1)+NH4PI 10:1_24:1*ME640951---852.5596585
PI(34:1)+NH4PI 34:1ME640950---854.5753085
PI(36:3)+HPI 36:3ME640957---861.5487595
PI(37:4e)+LiPI O-37:4ME640961---865.5776695
PI(37:5e)+LiPI O-37:5*ME640962---863.5620195
PI(38:2)+NH4PI 38:2ME640963---908.6222585
PI(40:4)+NH4PI 40:4ME640967---932.6222585
PS(16:0_16:1)+HPS 16:0_16:1ME640970---734.4966635
PS(16:0_18:1)+HPS 16:0_18:1ME640974---762.5279635
PS(16:1_18:1)+HPS 16:1_18:1ME640975---760.5123135
PS(18:0_18:0)+NaPS 18:0/18:0ME640978---814.5568585
PS(18:0_18:1)+HPS 18:0_18:1ME640979---790.5592635
PS(18:0_18:1)+NaPS 18:0_18:1ME640980---812.5412085
PS(18:0_20:2)+NaPS 18:0_20:2ME640987---838.5568585
PS(18:0_20:3)+HPS 18:0_20:3ME640988---814.5592635
PS(18:0_20:4)+HPS 18:0_20:4ME640989---812.5436135
PS(18:0_22:5)+HPS 18:0_22:5ME640990---838.5592635
PS(18:0_22:6)+HPS 18:0_22:6ME640991---836.5436135
PS(18:1_18:1)+HPS 18:1/18:1ME640982---788.5436135
PS(18:1_18:1)+NaPS 18:1/18:1ME640981---810.5255585
PS(18:1_18:2)+HPS 18:1_18:2ME640983---786.5279635
PS(18:3e_18:1)+LiPS O-18:3_18:1*ME640984---776.5412235
PS(33:3e)+LiPS O-33:3ME640971---736.5099235
PS(33:4e)+LiPS O-33:4ME640972---734.4942735
PS(34:0)+NaPS 34:0ME640973---786.5255585
PS(34:4e)+LiPS O-34:4ME640976---748.5099235
PS(35:4e)+LiPS O-35:4ME640977---762.5255735
PS(36:5e)+LiPS O-36:5ME640985---774.5255735
PS(37:5e)+LiPS O-37:5*ME640986---788.5412235
PS(40:7)+HPS 40:7ME640992---834.5279635
PS(43:4e)+LiPS O-43:4*ME640993---874.6507735
PS(43:5e)+LiPS O-43:5*ME640994---872.6351235
SM(d18:0_16:1)+HSM 18:0;O2/16:1ME640999---703.5748525
SM(d18:1_24:0)+HSM 18:1;O2/24:0ME641008---815.7000525
SM(d19:1_24:1)+HSM 19:1;O2/24:1ME641011---827.7000525
SM(d31:1)+HSM 31:1;O2ME640995---661.5279025
SM(d32:1)+HSM 32:1;O2ME640996---675.5435525
SM(d32:2)+HSM 32:2;O2ME640997---673.5279025
SM(d33:1)+HSM 33:1;O2ME640998---689.5592025
SM(d34:2)+HSM 34:2;O2ME641000---701.5592025
SM(d35:1)+HSM 35:1;O2ME641001---717.5905025
SM(d35:2)+HSM 35:2;O2ME641002---715.5748525
SM(d36:1)+HSM 36:1;O2ME641003---731.6061525
SM(d36:4)+HSM 36:4;O2ME641004---725.5592025
SM(d41:1)+HSM 41:1;O2ME641005---801.6844025
SM(d41:2)+HSM 41:2;O2ME641006---799.6687525
SM(d41:6)+HSM 41:6;O2ME641007---791.6061525
SM(d42:2)+HSM 42:2;O2ME641009---813.6844025
SM(d42:3)+HSM 42:3;O2ME641010---811.6687525
SM(d43:5)+HSM 43:5;O2ME641012---821.6531025
SM(d44:2)+HSM 44:2;O2ME641013---841.7157025
SM(d44:4)+HSM 44:4;O2ME641014---837.6844025
SM(t34:1)+HSM 34:1;O3ME641015---719.5697675
SM(t34:2)+HSM 34:2;O3ME641016---717.5541175
SPH(d18:0)+H-ME641017---302.3053555
SPH(d18:1)+H-ME641018---300.2897055
SPH(t18:0)+H-ME641019---318.3002705
ST(t38:4)+NH4SHexCer 38:4;O3ME641020---863.5661265
TG(12:0_12:0_12:0)+NH4TG 12:0/12:0/12:0ME641021---656.5823655
TG(12:0e_6:0_18:0)+HTG O-12:0_6:0_18:0*ME641022---625.5765515
TG(12:0e_6:0_20:4)+HTG O-12:0_6:0_20:4ME641024---645.5452515
TG(14:0_14:0_14:0)+NH4TG 14:0/14:0/14:0ME641026---740.6762655
TG(14:0_14:0_22:4)+NH4TG 14:0_14:0_22:4ME641050---844.7388655
TG(14:0_18:2_20:4)+NH4TG 14:0_18:2_20:4ME641062---868.7388655
TG(15:0_14:0_16:0)+NH4TG 14:0_15:0_16:0ME641030---782.7232155
TG(15:0_16:0_16:0)+NH4TG 15:0_16:0_16:0ME641035---810.7545155
TG(15:0_16:0_22:5)+NH4TG 15:0_16:0_22:5ME641066---884.7701655
TG(15:0_18:2_18:2)+NH4TG 15:0_18:2_18:2ME641055---858.7545155
TG(16:0_14:0_14:0)+NH4TG 14:0_14:0_16:0ME641027---768.7075655
TG(16:0_14:0_16:0)+NH4TG 14:0_16:0_16:0ME641031---796.7388655
TG(16:0_14:0_16:1)+NH4TG 14:0_16:0_16:1ME641032---794.7232155
TG(16:0_14:0_17:1)+NH4TG 14:0_16:0_17:1ME641036---808.7388655
TG(16:0_14:0_18:1)+NH4TG 14:0_16:0_18:1ME641039---822.7545155
TG(16:0_16:0_16:0)+NH4TG 16:0/16:0/16:0ME641038---824.7701655
TG(16:0_16:0_17:0)+NH4TG 16:0_16:0_17:0ME641042---838.7858155
TG(16:0_16:0_17:1)+NH4TG 16:0_16:0_17:1ME641043---836.7701655
TG(16:0_16:0_18:1)+NH4TG 16:0_16:0_18:1ME641046---850.7858155
TG(16:0_16:1_18:1)+NH4TG 16:0_16:1_18:1ME641048---848.7701655
TG(16:0_16:1_18:2)+NH4TG 16:0_16:1_18:2ME641049---846.7545155
TG(16:0_16:1_20:4)+NH4TG 16:0_16:1_20:4ME641061---870.7545155
TG(16:0_16:1_22:6)+NH4TG 16:0_16:1_22:6ME641073---894.7545155
TG(16:0_17:1_18:1)+NH4TG 16:0_17:1_18:1ME641053---862.7858155
TG(16:0_17:1_22:4)+NH4TG 16:0_17:1_22:4ME641078---912.8014655
TG(16:0_18:1_18:1)+NH4TG 16:0_18:1_18:1ME641058---876.8014655
TG(16:0_18:1_20:4)+NH4TG 16:0_18:1_20:4ME641071---898.7858155
TG(16:0_18:1_22:4)+NH4TG 16:0_18:1_22:4ME641082---926.8171155
TG(16:0_18:1_22:5)+NH4TG 16:0_18:1_22:5ME641083---924.8014655
TG(16:0_18:1_24:1)+NH4TG 16:0_18:1_24:1ME641091---960.8953655
TG(16:0_22:5_22:5)+NH4TG 16:0_22:5_22:5ME641101---972.8014655
TG(16:0_22:6_22:6)+NH4TG 16:0_22:6_22:6ME641102---968.7701655
TG(16:0e_16:0_18:1)+NH4TG O-16:0_16:0_18:1ME641047---836.8065505
TG(16:1_14:0_16:1)+NH4TG 14:0_16:1_16:1ME641033---792.7075655
TG(16:1_14:0_17:1)+NH4TG 14:0_16:1_17:1ME641037---806.7232155
TG(16:1_14:0_18:1)+NH4TG 14:0_16:1_18:1ME641040---820.7388655
TG(16:1_14:0_20:4)+NH4TG 14:0_16:1_20:4ME641051---842.7232155
TG(16:1_16:1_16:1)+NH4TG 16:1/16:1/16:1ME641041---818.7232155
TG(16:1_16:1_17:1)+NH4TG 16:1_16:1_17:1ME641045---832.7388655
TG(16:1_16:1_22:6)+NH4TG 16:1_16:1_22:6ME641074---892.7388655
TG(16:1_17:1_20:4)+NH4TG 16:1_17:1_20:4ME641067---882.7545155
TG(16:1_18:1_18:1)+NH4TG 16:1_18:1_18:1ME641059---874.7858155
TG(16:1_18:1_18:2)+NH4TG 16:1_18:1_18:2ME641060---872.7701655
TG(16:1_18:1_20:4)+NH4TG 16:1_18:1_20:4ME641072---896.7701655
TG(16:1_18:1_22:5)+NH4TG 16:1_18:1_22:5ME641084---922.7858155
TG(16:1_18:1_22:6)+NH4TG 16:1_18:1_22:6ME641085---920.7701655
TG(17:0_18:1_22:4)+NH4TG 17:0_18:1_22:4ME641088---940.8327655
TG(17:1_17:1_17:1)+NH4TG 17:1/17:1/17:1*ME641054---860.7701655
TG(18:0_16:0_18:1)+NH4TG 16:0_18:0_18:1ME641057---878.8171155
TG(18:0_18:1_18:1)+NH4TG 18:0_18:1_18:1ME641068---904.8327655
TG(18:0_18:1_20:0)+NH4TG 18:0_18:1_20:0ME641079---934.8797155
TG(18:0_18:1_22:3)+NH4TG 18:0_18:1_22:3ME641093---956.8640655
TG(18:0_18:1_22:4)+NH4TG 18:0_18:1_22:4ME641094---954.8484155
TG(18:1_12:0_14:0)+NH4TG 12:0_14:0_18:1ME641028---766.6919155
TG(18:1_14:0_17:1)+NH4TG 14:0_17:1_18:1ME641044---834.7545155
TG(18:1_17:1_18:1)+NH4TG 17:1_18:1_18:1ME641064---888.8014655
TG(18:1_17:1_18:2)+NH4TG 17:1_18:1_18:2ME641065---886.7858155
TG(18:1_17:1_22:4)+NH4TG 17:1_18:1_22:4ME641089---938.8171155
TG(18:1_18:1_18:1)+NH4TG 18:1/18:1/18:1ME641069---902.8171155
TG(18:1_18:1_18:2)+NH4TG 18:1_18:1_18:2ME641070---900.8014655
TG(18:1_18:1_20:2)+NH4TG 18:1_18:1_20:2ME641081---928.8327655
TG(18:1_18:1_21:1)+NH4TG 18:1_18:1_21:1ME641086---944.8640655
TG(18:1_18:1_22:1)+NH4TG 18:1_18:1_22:1ME641092---958.8797155
TG(18:1_18:1_22:4)+NH4TG 18:1_18:1_22:4ME641095---952.8327655
TG(18:1_18:1_22:5)+NH4TG 18:1_18:1_22:5ME641096---950.8171155
TG(18:1_18:1_22:6)+NH4TG 18:1_18:1_22:6ME641097---948.8014655
TG(18:1_18:1_24:0)+NH4TG 18:1_18:1_24:0ME641103---988.9266655
TG(18:1_18:1_24:1)+NH4TG 18:1_18:1_24:1ME641104---986.9110155
TG(18:1_18:1_24:2)+NH4TG 18:1_18:1_24:2ME641105---984.8953655
TG(18:1_18:2_22:6)+NH4TG 18:1_18:2_22:6ME641098---946.7858155
TG(18:1_20:3_22:4)+NH4TG 18:1_20:3_22:4ME641109---976.8327655
TG(18:1_20:4_22:0)+NH4TG 18:1_20:4_22:0ME641106---982.8797155
TG(18:1_22:5_22:5)+NH4TG 18:1_22:5_22:5ME641112---998.8171155
TG(18:1_22:5_22:6)+NH4TG 18:1_22:5_22:6ME641113---996.8014655
TG(18:1_22:6_22:6)+NH4TG 18:1_22:6_22:6ME641114---994.7858155
TG(18:2_20:4_20:4)+NH4TG 18:2_20:4_20:4ME641090---944.7701655
TG(19:1_16:0_16:0)+NH4TG 16:0_16:0_19:1ME641052---864.8014655
TG(19:1_16:0_18:1)+NH4TG 16:0_18:1_19:1ME641063---890.8171155
TG(19:1_18:0_18:1)+NH4TG 18:0_18:1_19:1ME641075---918.8484155
TG(19:1_18:1_18:1)+NH4TG 18:1_18:1_19:1ME641076---916.8327655
TG(19:1_18:1_18:2)+NH4TG 18:1_18:2_19:1ME641077---914.8171155
TG(19:1_18:1_22:4)+NH4TG 18:1_19:1_22:4ME641099---966.8484155
TG(19:1_18:1_22:5)+NH4TG 18:1_19:1_22:5ME641100---964.8327655
TG(20:1_18:1_18:1)+NH4TG 18:1_18:1_20:1ME641080---930.8484155
TG(20:1_18:1_22:4)+NH4TG 18:1_20:1_22:4ME641107---980.8640655
TG(20:1_18:1_22:5)+NH4TG 18:1_20:1_22:5ME641108---978.8484155
TG(26:1_18:1_18:1)+NH4TG 18:1_18:1_26:1ME641115---1014.942315
TG(37:0)+HTG 37:0ME641023---653.5714665
TG(40:2)+LiTG 40:2ME641025---697.5952915
TG(44:6e)+NH4TG O-44:6*ME641029---742.6344005
TG(46:8)+HTG 46:8ME641034---763.5871165
TG(51:5)+NH4TG 51:5ME641056---856.7388655
TG(57:4)+NH4TG 57:4ME641087---942.8484155
TG(61:6e)+KTG O-61:6*ME641110---1001.829784
TG(61:7e)+KTG O-61:7*ME641111---999.8141345
ZyE(13:0)+H-ME641117---581.5292065
ZyE(20:4)+NH4-ME641118---688.6027055
ZyE(22:5)+H-ME641119---697.5918065
ZyE()+H-H2O-ME641116---367.3359265


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