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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;O2ME634636--5.4582.5095766
Cer(d36:1)_M+H2CO2_feature1Cer 36:1;O2ME634635--6.38610.5411866
Cer(d38:1)_M+H2CO2_feature1Cer 38:1;O2ME634634--6.94638.5725966
Cer(d40:1)_M+H2CO2_feature1Cer 40:1;O2ME634633--7.24666.6043066
Cer(d41:1)_M+H2CO2_feature1Cer 41:1;O2ME634632--7.4680.6200766
Cer(d41:2)_M+H2CO2_feature2Cer 41:2;O2ME634631--7.16678.6041766
Cer(d42:1)_feature3Cer 42:1;O2ME634630--7.56648.6306166
Cer(d42:2)_feature3Cer 42:2;O2ME634629--7.2646.6145266
Cer(d42:2)_M+H2CO2_feature3Cer 42:2;O2ME634628--7.31692.6200666
CL(70:6)_feature1CL 70:6ME634627--7.861423.965507
CL(70:7)_feature1CL 70:7ME634626--7.641421.949817
CL(72:6)_feature1CL 72:6ME634625--8.051451.996617
CL(72:7)_feature1CL 72:7ME634624--7.861449.981827
CL(72:8)_M-2H_feature1CL 72:8ME634623--7.671447.967087
CL(74:10)_feature1CL 74:10ME634622--7.861471.962807
CL(74:11)_feature1CL 74:11ME634621--7.681469.947297
FA(22:6)_feature1DHAME634620--2.51327.2318366
GTInternalStandard_PC(18:1(d7))>PC(18:1(9z,d7)/...-ME634486--2.29573.3897466
GTInternalStandard_PC(33:1(d7))>PC(15:0/18:1(9z...-ME634485--4.9797.6046966
GTInternalStandard_PE(18:1(d7))>PE(18:1(9z,d7)/...-ME634488--2.32485.3369566
GTInternalStandard_PE(33:1(d7))>PE(15:0/18:1(9z...-ME634487--5.12709.5518566
GTInternalStandard_PG(33:1(d7))>PG(15:0/18:1(9z...-ME634484--4.54740.5466966
GTInternalStandard_SM(d36:2(d9))>SM(d18:1/18:1(...-ME634483--4.52782.6381666
HexCer(d40:1)_M+H2CO2_feature2HexCer 40:1;O2ME634619--6.97828.6575366
HexCer(d42:1)_M+H2CO2_feature2HexCer 42:1;O2ME634618--7.22856.6888766
HexCer(d42:2)_M+H2CO2_feature3HexCer 42:2;O2ME634617--6.93854.6732266
LPC(16:0)>LPC(16:0/0:0)_and_LPC(0:0/16:0)_M+H2C...LPC 16:0ME634616--2.23540.3303166
LPC(18:0)>LPC(18:0/0:0)_and_LPC(0:0/18:0)_M+H2C...LPC 18:0ME634615--2.55568.3617966
LPC(20:4)>LPC(20:4/0:0)_and_LPC(0:0/20:4)_M+H2C...LPC 20:4ME634614--1.91588.3301066
LPE(16:0)>LPE(16:0/0:0)_and_LPE(0:0/16:0)_featu...LPE 16:0ME634613--2.27452.2773766
LPE(18:0)>LPE(18:0/0:0)_and_LPE(0:0/18:0)_featu...LPE 18:0ME634612--2.59480.3086466
LPE(20:4)>LPE(20:4/0:0)_feature2LPE 20:4/0:0ME634611--1.94500.2774066
LPE(O-15:0)_feature1LPE O-15:0ME634610--2.33424.2842966
PC(30:0)>PC(14:0_16:0)_M+H2CO2_feature1PC 14:0_16:0ME634609--4.47750.5288166
PC(32:0)>PC(16:0_16:0)_M+H2CO2_feature2PC 16:0/16:0ME634608--5.3778.5611366
PC(32:1)>PC(14:0_18:1)_and_PC(16:0_16:1) M+ H2C...PC 32:1ME634607--4.55776.5448466
PC(32:2)>PC(14:0_18:2) M+ H2CO2_feature3PC 14:0_18:2ME634606--3.99774.5293766
PC(34:0)>PC(16:0_18:0)_M+H2CO2_feature3PC 16:0_18:0ME634605--6.26806.5924066
PC(34:1)>PC(16:0_18:1)_M+H2CO2_feature2PC 16:0_18:1ME634604--5.37804.5775966
PC(34:2)>PC(16:0_18:2)_M+H2CO2_feature1PC 16:0_18:2ME634603--4.71802.5618566
PC(34:3)>PC(16:1_18:2)_M+H2CO2_feature1PC 16:1_18:2ME634602--4.06800.5449466
PC(35:2)>PC(17:0_18:2)_M+H2CO2_feature2PC 17:0_18:2ME634601--5.15816.5763966
PC(35:4)>PC(15:0_20:4)_M+H2CO2_feature2PC 15:0_20:4ME634600--4.22812.5449066
PC(36:0)>PC(18:0/18:0)_M+H2CO2_feature3PC 18:0/18:0ME634599--6.88834.6234366
PC(36:1)>PC(16:0_20:1)_and_PC(18:0_18:1)_M+H2CO...PC 36:1ME634598--6.33832.6089866
PC(36:2)>PC(18:0_18:2)_M+H2CO2_feature3PC 18:0_18:2ME634597--5.61830.5934566
PC(36:3)>PC(18:1_18:2)_M+H2CO2_feature2PC 18:1_18:2ME634596--4.77828.5765066
PC(36:4)>PC(16:0_20:4)_M+H2CO2_feature3PC 16:0_20:4ME634595--4.59826.5618666
PC(36:4)>PC(18:2/18:2)_M+H2CO2_feature2PC 18:2/18:2ME634594--4.19826.5618666
PC(36:5)>PC(16:1_20:4)_M+H2CO2_feature2PC 16:1_20:4ME634593--3.96824.5450466
PC(37:4)>PC(17:0_20:4)_M+H2CO2_feature3PC 17:0_20:4ME634592--5.01840.5757766
PC(38:2)>PC(18:0_20:2)_M+H2CO2_feature4PC 18:0_20:2ME634591--6.44858.6234166
PC(38:3)>PC(18:0_20:3)_M+H2CO2_feature3PC 18:0_20:3ME634590--5.86856.6074066
PC(38:4)>PC(18:0_20:4)_M+H2CO2_feature4PC 18:0_20:4ME634589--5.46854.5930166
PC(38:6)>PC(16:0_22:6)_and_PC(38:6)>PC(18:0_...PC 38:6ME634588--4.4850.5613766
PC(38:6)>PC(18:2_20:4)_M+H2CO2_feature1PC 18:2_20:4ME634587--4.08850.5613166
PC(40:4)>PC(18:0_22:4)_M+H2CO2_feature2PC 18:0_22:4ME634586--6.11882.6235066
PC(40:5)>PC(18:0_22:5)_M+H2CO2_feature3PC 18:0_22:5ME634585--5.51880.6071966
PC(40:6)>PC(18:0_22:6) _M+H2CO2_feature3PC 18:0_22:6ME634584--5.23878.5922466
PC(40:8)>PC(20:4_20:4) _M+H2CO2_feature1PC 20:4/20:4ME634583--3.93874.5609566
PC(O-34:1)>PC(O-18:1/16:0)_M+H2CO2_feature2PC O-18:1/16:0ME634582--5.96790.5971366
PC(O-36:5)>PC(O-16:1/20:4)_M+H2CO2_feature5PC O-16:1/20:4ME634581--4.97810.5650966
PC(O-40:9)>PC(O:20:5/20:4)_M+H2CO2_feature1PC O:20:5/20:4ME634580--5.47844.5627566
PE(34:1)>PE(16:0_18:1)_feature1PE 16:0_18:1ME634579--5.61716.5236166
PE(34:2)>PE(16:0_18:2)_feature2PE 16:0_18:2ME634578--4.92714.5084266
PE(34:3)>PE(16:1_18:2)_feature1PE 16:1_18:2ME634577--4.22712.4922966
PE(35:1)>PE(17:0_18:1)_feature1PE 17:0_18:1ME634576--6.09730.5394066
PE(35:2)>PE(17:0_18:2)_feature1PE 17:0_18:2ME634575--5.37728.5231566
PE(36:1)>PE(18:0_18:1)_feature3PE 18:0_18:1ME634574--6.53744.5562266
PE(36:2)>PE(18:0_18:2)_feature1PE 18:0_18:2ME634573--4.71742.5386466
PE(36:2)>PE(18:0_18:2)_feature2PE 18:0_18:2ME634572--5.85742.5404266
PE(36:2)>PE(18:1/18:1)_feature2PE 18:1/18:1ME634571--5.67742.5404366
PE(36:3)>PE(18:1_18:2)_feature1PE 18:1_18:2ME634570--4.98740.5244266
PE(36:4)>(16:0_20:4)_feature3-ME634569--4.79738.5087466
PE(36:4)>PE(18:2/18:2)_feature1PE 18:2/18:2ME634568--4.36738.5087166
PE(36:5)>PE(16:1_20:4)_feature2PE 16:1_20:4ME634567--4.11736.4925966
PE(37:4)>PE(17:0_20:4)_feature2PE 17:0_20:4ME634566--5.22752.5233366
PE(38:1)>PE(18:1_20:0)_and_PE(18:0_20:1)_featur...PE 38:1ME634565--6.94772.5863766
PE(38:3)>PE(18:0_20:3)_feature3PE 18:0_20:3ME634563--6.08768.5555266
PE(38:3)>PE(18:0_20:3)_feature4PE 18:0_20:3ME634564--6.37768.5555766
PE(38:4)>PE(18:0_20:4)_feature5PE 18:0_20:4ME634562--5.71766.5402966
PE(38:5)>PE(16:0_22:5)_and_PE(38:5)>PE(18:1_...PE 38:5ME634561--4.84764.5245366
PE(38:5)>PE(18:0_20:5)_feature6PE 18:0_20:5ME634560--5.12764.5245566
PE(38:6)>PE(16:0_22:6)_feature3PE 16:0_22:6ME634559--4.58762.5082566
PE(38:6)>PE(18:2_20:4)_feature2PE 18:2_20:4ME634558--4.25762.5082566
PE(38:7)>PE(16:1_22:6)_feature1PE 16:1_22:6ME634557--3.94760.4924966
PE(39:4)>PE(19:0_20:4)_feature2PE 19:0_20:4ME634555--5.98780.5552466
PE(39:4)>PE(19:0_20:4)_feature3PE 19:0_20:4ME634556--6.18780.5550666
PE(39:6)>PE(17:0_22:6)_feature2PE 17:0_22:6ME634554--5776.5230966
PE(40:4)>PE(18:0_22:4)_feature2PE 18:0_22:4ME634553--6.33794.5711866
PE(40:4)>PE(20:0_20:4)_feature3PE 20:0_20:4ME634552--6.6794.5712066
PE(40:5)>PE(18:0_22:5)_feature3PE 18:0_22:5ME634551--5.74792.5548566
PE(40:5)>PE(18:0_22:5)_feature4PE 18:0_22:5ME634550--6.05792.5549766
PE(40:6)>PE(18:0_22:6)_feature2PE 18:0_22:6ME634549--5.46790.5401666
PE(40:7)>PE(18:1_22:6)_and_PE(18:0_22:7)_featur...PE 40:7ME634548--4.64788.5242566
PE(40:7)>PE(18:2_22:5)_feature1PE 18:2_22:5ME634547--4.28788.5242566
PE(40:8)>PE(18:2_22:6)_feature1PE 18:2_22:6ME634546--4.07786.5086666
PE(42:10)>PE(20:4_22:6)_feature1PE 20:4_22:6ME634545--3.93810.5083566
PE(42:8)>PE(20:4_22:4)_feature2PE 20:4_22:4ME634544--4.63814.5393466
PE(44:10)>PE(22:4_22:6)_feature1PE 22:4_22:6ME634543--4.43838.5395966
PE(O-34:1)>PE(O-18:1_16:0)_feature2PE O-18:1/16:0ME634542--6.8702.5445766
PE(O-34:2)>PE(O-16:2/18:0)_and_PE(O-18:2/16:0)_...PE O-34:2ME634541--6.1700.5289866
PE(O-34:3)>PE(O-16:1/18:2)_feature1PE O-16:1/18:2ME634540--5.37698.5126466
PE(O-34:5)>PE(O-17:1/20:4)_feature1PE O-17:1/20:4ME634539--5.51736.5281466
PE(O-34:5)>PE(O-17:1/20:4)_feature2PE O-17:1/20:4ME634538--5.68736.5281566
PE(O-36:3)>PE(O-18:1/18:2)_feature6PE O-18:1/18:2ME634537--6.33726.5443866
PE(O-36:3)>PE(O-18:2/18:1)_feature3PE O-18:2/18:1ME634536--6.15726.5446666
PE(O-36:4)>PE(O-18:2/18:2)_feature1PE O-18:2/18:2ME634535--5.42724.5282566
PE(O-36:4)>PE(O-18:3/18:1)_feature6PE O-18:3/18:1ME634534--6.82728.5607766
PE(O-36:5)>PE(O-16:1/20:4)_feature3PE O-16:1/20:4ME634533--5.21722.5139466
PE(O-38:5)>PE(O-16:1/22:4)_feature5PE O-16:1/22:4ME634532--5.85750.5453166
PE(O-38:5)>PE(O-18:1/20:4)_feature6PE O-18:1/20:4ME634531--6.16750.5453066
PE(O-38:6)>PE(O-16:1/22:5)_feature3PE O-16:1/22:5ME634530--5.55748.5290766
PE(O-38:6)>PE(O-18:2/20:4)_and_PE(O-16:1/22:5)_...PE O-38:6ME634529--5.25748.5290766
PE(O-38:7)>PE(O-16:1/22:6)_and_PE(O-20:7/18:0)_...PE O-38:7ME634528--4.98746.5132966
PE(O-38:7)>PE(O-18:3/20:4)_feature1PE O-18:3/20:4ME634527--4.61746.5131466
PE(O-40:5)>PE(O-18:1/22:4)_feature4PE O-18:1/22:4ME634526--6.69778.5764966
PE(O-40:6)>PE(O-18:1/22:5)_feature4PE O-18:1/22:5ME634525--6.19776.5603166
PE(O-40:6)>PE(O-18:2/22:4)_feature2PE O-18:2/22:4ME634524--5.9776.5602766
PE(O-40:7)_feature10PE O-40:7ME634523--5.2774.5355866
PE(O-40:8)>PE(O-22:8/18:0)_and_PE(O-18:2/22:6)_...PE O-40:8ME634522--5.01772.5285066
PG(34:1)>PG(16:0_18:1)_feature1PG 16:0_18:1ME634521--4.97747.5176766
PG(34:2)>PG(16:0_18:2)_feature1PG 16:0_18:2ME634519--4.38745.5025466
PG(34:2)>PG(16:0_18:2)_feature2PG 16:0_18:2ME634520--3.86745.5029566
PG(36:4)>PG(18:2/18:2)_feature1PG 18:2/18:2ME634518--3.52769.5030266
PG(40:7)>PG(18:1_22:6)_feature1PG 18:1_22:6ME634517--3.72819.5188866
PG(40:8)>PG(18:2_22:6)_feature1PG 18:2_22:6ME634516--3.36817.5031266
PI(34:2)>PI(16:0_18:2)_feature1PI 16:0_18:2ME634515--4.21833.5187066
PI(36:1)>PI(18:0_18:1)_feature1PI 18:0_18:1ME634514--5.68863.5648166
PI(36:2)>PI(18:0_18:2)_feature2PI 18:0_18:2ME634513--4.99861.5502066
PI(36:4)>PI(16:0_20:4)_feature1PI 16:0_20:4ME634512--4.11857.5186766
PI(38:3)>PI(18:0_20:3)_feature2PI 18:0_20:3ME634511--5.21887.5655166
PI(38:4)>PI(18:0_20:4)_feature2PI 18:0_20:4ME634510--4.88885.5507766
PS(36:1)>PS(18:0_18:1)_feature1PS 18:0_18:1ME634509--5.79788.5446966
PS(36:2)>PS(18:0_18:2)_feature4PS 18:0_18:2ME634508--5.11786.5296866
PS(38:4)>PS(18:0_20:4)_feature2PS 18:0_20:4ME634507--4.99810.5285266
PS(38:4)>PS(18:0_20:4)_feature3PS 18:0_20:4ME634506--5.86810.5268966
PS(40:4)>PS(18:0_22:4)_feature1PS 18:0_22:4ME634505--5.59838.5599166
PS(40:5)>PS(18:0_22:5)_feature2PS 18:0_22:5ME634504--5.01836.5445366
PS(40:6)>PS(18:0_22:6)_feature1PS 18:0_22:6ME634503--4.73834.5650366
PS(40:6)>PS(18:0_22:6)_feature2PS 18:0_22:6ME634502--4.79834.5275166
PS(O-40:7)>PS(O-20:3/20:4)_feature1PS O-20:3/20:4ME634501--6.16818.5320866
PS(O-42:7)>PS(O-20:3/22:4)_feature1PS O-20:3/22:4ME634500--6.69846.5635266
SM(d34:1)_M+H2CO2_feature1SM 34:1;O2ME634499--4.44747.5667566
SM(d36:1)_M+H2CO2_feature1SM 36:1;O2ME634498--5.3775.5976766
SM(d38:1)_M+H2CO2_feature2SM 38:1;O2ME634497--6.28803.6288966
SM(d40:0-OH)_M+H2CO2_feature1SM 40:0;O3ME634496--7.2849.6626066
SM(d40:1)_M+H2CO2_feature2SM 40:1;O2ME634495--6.9831.6609166
SM(d40:2)_M+H2CO2_feature1SM 40:2;O2ME634494--6.23829.6445566
SM(d40:2)_M+H2CO2_feature2SM 40:2;O2ME634493--6.47829.6445866
SM(d42:2)_M+H2CO2_feature2SM 42:2;O2ME634492--6.86857.6764866
SM(d42:3)_M+H2CO2_feature1SM 42:3;O2ME634491--6.36855.6598066
SM(d43:1)_M+H2CO2_feature2SM 43:1;O2ME634490--7.31873.7072466
Sulfatide(d42:1-OH)_feature1SHexCer 42:1;O3ME634489--6.83906.6350866


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