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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(d34:1)_M+H2CO2_feature1Cer 34:1;O2ME633158--5.36582.5099034
Cer(d38:1)_M+H2CO2_feature1Cer 38:1;O2ME633157--6.94638.5731934
Cer(d40:1)_M+H2CO2_feature1Cer 40:1;O2ME633156--7.24666.6049634
Cer(d40:2)_M+H2CO2_feature1Cer 40:2;O2ME633155--6.91664.5889734
Cer(d40:2)_M+H2CO2_feature2Cer 40:2;O2ME633154--7664.5889234
Cer(d41:1)_M+H2CO2_feature1Cer 41:1;O2ME633153--7.39680.6209234
Cer(d41:2)_M+H2CO2_feature1Cer 41:2;O2ME633152--7.15678.6044934
Cer(d42:0)_M+H2CO2_feature1Cer 42:0;O2ME633151--7.67696.6518534
Cer(d42:1)_M+H2CO2_feature2Cer 42:1;O2ME633150--7.56648.6313234
Cer(d42:2)_M+H2CO2_feature3Cer 42:2;O2ME633149--7.2692.6207334
Cer(d42:2)_M+H2CO2_feature4Cer 42:2;O2ME633148--7.3692.6206534
Cer(d43:1)_M+H2CO2_feature1Cer 43:1;O2ME633147--7.73708.6520334
Cer(d44:1)_M+H2CO2_feature1Cer 44:1;O2ME633146--7.9722.6676334
Cer(d44:2)_M+H2CO2_feature2Cer 44:2;O2ME633145--7.51720.6518834
Cholesterol sulfate_feature1Cholesterol sulfateME633144--2.93465.3040134
CL(72:6)_feature1CL 72:6ME633143--7.841451.987623
CL(72:7)_feature1CL 72:7ME633142--7.831449.981633
CL(72:8)_feature1CL 72:8ME633141--7.661447.966253
CL(74:10)_feature1CL 74:10ME633140--7.831471.963023
CL(74:11)_feature2CL 74:11ME633139--7.661469.947373
GTInternalStandard_PC(18:1(d7))>PC(18:1(9z,d7)/...-ME633002--2.28573.3903034
GTInternalStandard_PC(33:1(d7))>PC(15:0/18:1(9z...-ME633001--4.84797.6049034
GTInternalStandard_PE(18:1(d7))>PE(18:1(9z,d7)/...-ME633000--2.33485.3376134
GTInternalStandard_PE(33:1(d7))>PE(15:0/18:1(9z...-ME632999--5.08709.5523034
GTInternalStandard_PG(33:1(d7))>PG(15:0/18:1(9z...-ME632998--4.49740.5468134
GTInternalStandard_PS(33:1(d7))>PS(15:0/18:1(9z...-ME633003--4.42753.5417134
GTInternalStandard_SM(d36:2(d9))>SM(d18:1/18:1(...-ME632997--4.47782.6384534
HexCer(d40:1)_M+H2CO2_feature2HexCer 40:1;O2ME633138--6.97828.6582934
HexCer(d42:0-OH)_M+H2CO2_feature1HexCer 42:0;O3ME633137--7.11874.6998334
HexCer(d42:1) M+ H2CO2_feature2HexCer 42:1;O2ME633136--7.24856.6895734
LPC(16:0)>LPC(16:0/0:0) 2M + H2CO2_feature2LPC 16:0/0:0ME633135--2.23540.3308634
LPC(18:0)>LPC(18:0/0:0)_and_LPC(0:0/18:0)_M+H2C...LPC 18:0ME633134--2.55568.3623734
LPC(18:1)>LPC(18:1/0:0)_and_LPC(0:0/18:1)_M+H2C...LPC 18:1ME633133--2.28566.3462434
LPC(20:4)>LPC(20:4/0:0)_and_LPC(0:0/20:4)_M+H2C...LPC 20:4ME633132--1.9588.3308134
LPE(16:0)>LPE(16:0/0:0)_and_LPE(0:0/16:0)_featu...LPE 16:0ME633131--2.27452.2780434
LPE(18:0)>LPE(18:0/0:0)_and_LPE(0:0/18:0)_featu...LPE 18:0ME633130--2.59480.3092434
LPE(20:4)>LPE(20:4/0:0)_and_LPE(0:0/20:4)_featu...LPE 20:4ME633129--1.95500.2780534
LPE(O-15:0)_feature1LPE O-15:0ME633128--2.33424.2849634
PC(30:0)>PC(14:0_16:0)_M+H2CO2_feature1PC 14:0_16:0ME633127--4.41750.5290434
PC(32:0)>PC(16:0_16:0)_M+H2CO2_feature2PC 16:0/16:0ME633126--5.22778.5613634
PC(32:1)>PC(14:0_18:1)_and_PC(16:0_16:1) M+ H2C...PC 32:1ME633125--4.49776.5454034
PC(32:2)>PC(14:0_18:2) M+ H2CO2_feature3PC 14:0_18:2ME633124--3.95774.5299034
PC(34:1)>PC(16:0_18:1)_M+H2CO2_feature2PC 16:0_18:1ME633123--5.3804.5781034
PC(34:2)>PC(16:0_18:2)_M+H2CO2_feature1PC 16:0_18:2ME633122--4.66802.5621834
PC(34:3)>PC(16:0_18:3)_M+H2CO2_feature3PC 16:0_18:3ME633121--4.28800.5459434
PC(34:3)>PC(16:1_18:2)_M+H2CO2_feature1PC 16:1_18:2ME633120--4.03800.5458234
PC(34:4)>PC(14:0_20:4)_M+H2CO2_feature2PC 14:0_20:4ME633119--3.85798.5301234
PC(35:2)>PC(17:0_18:2)_M+H2CO2_feature2PC 17:0_18:2ME633118--5.08816.5769434
PC(35:4)>PC(15:0_20:4)_M+H2CO2_feature2PC 15:0_20:4ME633117--4.17812.5455634
PC(36:0)>PC(18:0/18:0)_M+H2CO2_feature3PC 18:0/18:0ME633116--6.84834.6240134
PC(36:1)>PC(16:0_20:1)_and_PC(18:0_18:1)_M+H2CO...PC 36:1ME633115--6.24832.6096634
PC(36:2)>PC(18:0_18:2)_M+H2CO2_feature3PC 18:0_18:2ME633114--5.54830.5939334
PC(36:3)>PC(16:0_20:3)_M+H2CO2_feature3PC 16:0_20:3ME633113--4.87828.5766334
PC(36:4)>PC(16:0_20:4)_M+H2CO2_feature3PC 16:0_20:4ME633112--4.53826.5620434
PC(36:4)>PC(18:2/18:2)_M+H2CO2_feature2PC 18:2/18:2ME633111--4.15826.5620434
PC(36:5)>PC(16:0_20:5)_M+H2CO2_feature3PC 16:0_20:5ME633110--4.09824.5458734
PC(36:5)>PC(16:1_20:4)_M+H2CO2_feature2PC 16:1_20:4ME633109--3.92824.5459034
PC(37:2)>PC(18:2_19:0)_M+H2CO2_feature1PC 18:2_19:0ME633108--6.02844.6082534
PC(37:4)>PC(17:0_20:4)_M+H2CO2_feature2PC 17:0_20:4ME633107--4.8840.5768834
PC(37:4)>PC(17:0_20:4)_M+H2CO2_feature3PC 17:0_20:4ME633106--4.95840.5767234
PC(38:2)>PC(18:0_20:2)_M+H2CO2_feature4PC 18:0_20:2ME633105--6.35858.6241134
PC(38:3)>PC(18:0_20:3)_M+H2CO2_feature3PC 18:0_20:3ME633104--5.77856.6085334
PC(38:4)>PC(18:0_20:4)_M+H2CO2_feature4PC 18:0_20:4ME633103--5.39854.5938034
PC(38:5)>PC(16:0_22:5)_and_PC(18:1_20:4)_M+H2CO...PC 38:5ME633102--4.58852.5765534
PC(38:5)>PC(16:0_22:5)_and_PC(18:1_20:4)_M+H2CO...PC 38:5ME633101--4.85852.5765334
PC(38:6)>PC(18:2_20:4)_M+H2CO2_feature1PC 18:2_20:4ME633100--4.04850.5624134
PC(39:4)>PC(19:0_20:4)_M+H2CO2_feature4PC 19:0_20:4ME633098--5.68868.6082934
PC(39:4)>PC(19:0_20:4)_M+H2CO2_feature5PC 19:0_20:4ME633099--5.87868.6082734
PC(40:4)>PC(20:0_20:4)_M+H2CO2_feature3PC 20:0_20:4ME633097--6.35882.6243034
PC(40:5)>PC(18:0_22:5)_M+H2CO2_feature4PC 18:0_22:5ME633096--5.75880.6073134
PC(40:6)>PC(18:0_22:6) _M+H2CO2_feature3PC 18:0_22:6ME633095--5.16878.5940134
PC(40:7)>PC(18:1_22:6) _M+H2CO2_feature3PC 18:1_22:6ME633094--4.39876.5766634
PC(O-34:1)>PC(O-18:1/16:0)_M+H2CO2_feature2PC O-18:1/16:0ME633093--5.86790.5973234
PC(O-36:5)>PC(O-16:1/20:4)_M+H2CO2_feature5PC O-16:1/20:4ME633092--4.9810.5651434
PC(O-40:9)>PC(O:20:5/20:4)_M+H2CO2_feature1PC O:20:5/20:4ME633091--5.39844.5634334
PE(32:1)>PE(16:0_16:1)_feature1PE 16:0_16:1ME633090--4.73688.4920434
PE(34:1)>PE(16:0_18:1)_feature1PE 16:0_18:1ME633089--5.57716.5242434
PE(34:2)>PE(16:0_18:2)_feature2PE 16:0_18:2ME633088--4.9714.5090534
PE(34:3)>PE(16:0_18:3)_feature2PE 16:0_18:3ME633087--4.48712.4926234
PE(34:3)>PE(16:1_18:2)_feature1PE 16:1_18:2ME633086--4.2712.4925734
PE(35:2)>PE(17:0_18:2)_feature1PE 17:0_18:2ME633085--5.33728.5237534
PE(36:1)>PE(18:0_18:1)_feature3PE 18:0_18:1ME633084--6.49744.5564134
PE(36:2)>PE(18:0_18:2)_feature2PE 18:0_18:2ME633083--5.81742.5410834
PE(36:3)>PE(16:0_20:3)_and_PE(36:3)>PE(18:1_...PE 36:3ME633082--5.1740.5240534
PE(36:3)>PE(18:1_18:2)_feature1PE 18:1_18:2ME633081--4.95740.5241734
PE(36:4)>(16:0_20:4)_feature3-ME633080--4.76738.5093734
PE(36:4)>PE(18:2/18:2)_feature1PE 18:2/18:2ME633079--4.34738.5093934
PE(36:5)>PE(16:0_20:5)_M+H2CO2_feature3PE 16:0_20:5ME633078--4.27736.4930634
PE(36:5)>PE(16:1_20:4)_feature2PE 16:1_20:4ME633077--4.09736.4930534
PE(37:4)>PE(17:0_20:4)_feature2PE 17:0_20:4ME633076--5.19752.5241234
PE(38:3)>PE(18:0_20:3)_feature3PE 18:0_20:3ME633074--6.03768.5562734
PE(38:3)>PE(18:0_20:3)_feature4PE 18:0_20:3ME633075--6.32768.5562834
PE(38:4)>PE(18:0_20:4)_feature5PE 18:0_20:4ME633073--5.68766.5408534
PE(38:5)>PE(16:0_22:5)_and_PE(18:1_20:4)_featur...PE 38:5ME633072--4.8764.5244634
PE(38:5)>PE(18:0_20:5)_feature6PE 18:0_20:5ME633071--5.08764.5244334
PE(38:6)>PE(16:0_22:6)_feature3PE 16:0_22:6ME633070--4.56762.5090534
PE(38:6)>PE(18:2_20:4)_feature2PE 18:2_20:4ME633069--4.23762.5090634
PE(38:7)>PE(16:1_22:6)_feature1PE 16:1_22:6ME633068--3.93760.4927834
PE(39:4)>PE(19:0_20:4)_feature2PE 19:0_20:4ME633067--5.93780.5558634
PE(39:4)>PE(19:0_20:4)_feature3PE 19:0_20:4ME633066--6.14780.5558234
PE(39:6)>PE(17:0_22:6)_feature2PE 17:0_22:6ME633065--4.97776.5238434
PE(40:4)>PE(18:0_22:4)_feature2PE 18:0_22:4ME633064--6.28794.5718934
PE(40:4)>PE(20:0_20:4)_feature3PE 20:0_20:4ME633063--5.4794.5702834
PE(40:5)>PE(18:0_22:5)_feature3PE 18:0_22:5ME633061--5.71792.5552234
PE(40:5)>PE(18:0_22:5)_feature4PE 18:0_22:5ME633062--6.01792.5552234
PE(40:6)>PE(18:0_22:6)_feature2PE 18:0_22:6ME633060--5.43790.5404234
PE(40:7)>PE(18:1_22:6)_and_PE(18:0_22:7)_featur...PE 40:7ME633059--4.6788.5240334
PE(40:8)>PE(18:2_22:6)_feature1PE 18:2_22:6ME633058--4.06786.5084534
PE(O-34:2)>PE(O-16:2/18:0)_and_PE(O-18:2/16:0)_...PE O-34:2ME633057--6.05700.5293234
PE(O-36:3)>PE(O-18:1/18:2)_feature6PE O-18:1/18:2ME633056--6.28726.5449834
PE(O-36:4)>PE(O-18:3/18:1)_feature6PE O-18:3/18:1ME633055--6.8728.5608634
PE(O-36:5)>PE(O-16:1/20:4)_feature3PE O-16:1/20:4ME633054--5.17722.5136234
PE(O-38:5)>PE(O-16:1/22:4)_feature5PE O-16:1/22:4ME633053--5.81750.5458734
PE(O-38:5)>PE(O-18:1/20:4)_feature6PE O-18:1/20:4ME633052--6.11750.5459134
PE(O-38:6)>PE(O-16:1/22:5)_feature3PE O-16:1/22:5ME633051--5.52748.5292734
PE(O-38:6)>PE(O-18:2/20:4)_and_PE(O-16:1/22:5)_...PE O-38:6ME633050--5.22748.5292734
PE(O-40:5)>PE(O-18:1/22:4)_feature3PE O-18:1/22:4ME633049--6.67778.5769634
PE(O-40:6)>PE(O-18:1/22:5)_feature3PE O-18:1/22:5ME633048--6.15776.5607334
PE(O-40:6)>PE(O-18:2/22:4)_feature2PE O-18:2/22:4ME633047--5.85776.5607334
PE(O-40:7)>PE(O-18:1/22:6)_and_PE(O-22:7/18:0)_...PE O-40:7ME633046--5.86774.5448734
PG(34:1)>PG(16:0_18:1)_feature1PG 16:0_18:1ME633045--4.88747.5184034
PG(34:2)>PG(16:0_18:2)_feature1PG 16:0_18:2ME633044--4.33745.5026434
PG(36:2)>PG(18:0_18:2)_feature2PG 18:0_18:2ME633043--5.13773.5341134
PG(40:7)>PG(18:1_22:6)_feature1PG 18:1_22:6ME633042--3.69819.5191334
PG(40:8)>PG(18:2_22:6)_feature1PG 18:2_22:6ME633041--3.33817.5035534
PG(42:10)>PG(20:4_22:6)_feature1PG 20:4_22:6ME633040--3.27841.5034834
PG(44:12)>PG(22:6/22:6)_feature1PG 22:6/22:6ME633039--3.18865.5037734
PI(34:2)>PI(16:0_18:2)_feature1PI 16:0_18:2ME633038--4.17833.5195334
PI(36:2)>PI(18:0_18:2)_feature2PI 18:0_18:2ME633037--4.95861.5504734
PI(36:4)>PI(16:0_20:4)_feature1PI 16:0_20:4ME633036--4.08857.5197334
PI(38:3)>PI(18:0_20:3)_feature2PI 18:0_20:3ME633035--5.17887.5655034
PI(38:4)>PI(18:0_20:4)_feature2PI 18:0_20:4ME633034--4.83885.5515934
PI(38:5)>PI(18:1_20:4)_feature1PI 18:1_20:4ME633033--4.12883.5348734
PI(38:6)>PI(16:0_22:6)_feature1PI 16:0_22:6ME633032--3.92881.5191434
PI(40:5)>PI(18:0_22:5)_feature1PI 18:0_22:5ME633031--4.86911.5653434
PI(40:6)>PI(18:0_22:6)_feature1PI 18:0_22:6ME633030--4.64909.5496434
PS(36:1)>PS(18:0_18:1)_feature1PS 18:0_18:1ME633029--5.74788.5446634
PS(36:2)>PS(18:0_18:2)_feature4PS 18:0_18:2ME633028--5.05786.5298334
PS(36:4)>PS(16:0_20:4)_feature1PS 16:0_20:4ME633027--4.16782.4983834
PS(38:4)>PS(18:0_20:4)_feature2PS 18:0_20:4ME633025--4806.4984834
PS(38:4)>PS(18:0_20:4)_feature4PS 18:0_20:4ME633026--4.93810.5301234
PS(40:5)_feature3PS 40:5ME633024--4.96836.5449234
PS(40:6)_feature3PS 40:6ME633023--4.73834.5297034
PS(O-40:7)>PS(O-20:3/20:4)_feature1PS O-20:3/20:4ME633022--6.11818.5327234
PS(O-40:7)>PS(O-20:3/20:4)_feature2PS O-20:3/20:4ME633021--6.67846.5641534
SM(d34:1)_M+H2CO2_feature1SM 34:1;O2ME633020--4.41747.5670934
SM(d36:1)_M+H2CO2_feature1SM 36:1;O2ME633019--5.25775.5980234
SM(d38:1)_M+H2CO2_feature2SM 38:1;O2ME633018--6.22803.6295134
SM(d39:1)_M+H2CO2_feature2SM 39:1;O2ME633017--6.65817.6452034
SM(d40:0-OH)_feature1SM 40:0;O3ME633016--7.17849.6630534
SM(d40:1)_M+H2CO2_feature2SM 40:1;O2ME633015--6.88831.6619434
SM(d40:2)_M+H2CO2_feature1SM 40:2;O2ME633014--6.16829.6450534
SM(d40:2)_M+H2CO2_feature2SM 40:2;O2ME633013--6.41829.6450534
SM(d41:1)_M+H2CO2_feature1SM 41:1;O2ME633012--7.04845.6775834
SM(d41:2)_M+H2CO2_feature2and3SM 41:2;O2ME633011--6.76843.6609434
SM(d42:1)_M+H2CO2_feature2SM 42:1;O2ME633010--7.17859.6933834
SM(d42:2)_M+H2CO2_feature2SM 42:2;O2ME633009--6.84857.6776734
SM(d42:3)_M+H2CO2_feature1SM 42:3;O2ME633008--6.29855.6607234
SM(d43:1)_feature1SM 43:1;O2ME633007--7.27873.7077534
SM(d43:2)_feature2SM 43:2;O2ME633006--7.01871.6918934
SM(d44:1)_M+H2CO2_feature1SM 44:1;O2ME633005--7.47887.7235234
SM(d44:2)_M+H2CO2_feature1SM 44:2;O2ME633004--7.13885.7075734


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