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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;O2ME635857--5.4536.5048734
Cer(d36:1)_M+H2CO2_feature1Cer 36:1;O2ME635856--6.35610.5414234
Cer(d36:2)_M+H2CO2_feature1Cer 36:2;O2ME635855--5.55608.5256934
Cer(d40:2)_M+H2CO2_feature2Cer 40:2;O2ME635854--7.04664.5890334
Cer(d41:1)_M+H2CO2_feature1Cer 41:1;O2ME635853--7.42680.6202934
Cer(d41:2)_M+H2CO2_feature2Cer 41:2;O2ME635852--7.19678.6045334
Cer(d42:1)_M+H2CO2_feature1Cer 42:1;O2ME635851--7.57648.6310134
Cer(d42:2)_M+H2CO2_feature3Cer 42:2;O2ME635850--7.33646.6151534
Cer(d42:2)_M+H2CO2_feature4Cer 42:2;O2ME635849--7.24692.6207034
Cholesterol sulfate_feature1Cholesterol sulfateME635848--3465.3037634
CL(72:8)_feature1CL 72:8ME635847--7.681447.964653
FA(20:4)_feature1Arachidonic acidME635846--2.69303.2325634
FA(22:6)_feature1DHAME635845--2.62327.2325534
GTInternalStandard_PC(18:1(d7))>PC(18:1(9z,d7)/...-ME635743--2.38573.3901734
GTInternalStandard_PC(33:1(d7))>PC(15:0/18:1(9z...-ME635742--4.89797.6050834
GTInternalStandard_PE(18:1(d7))>PE(18:1(9z,d7)/...-ME635741--2.42485.3374734
GTInternalStandard_PE(33:1(d7))>PE(15:0/18:1(9z...-ME635740--5.12709.5521834
GTInternalStandard_PG(33:1(d7))>PG(15:0/18:1(9z...-ME635739--4.53740.5472634
GTInternalStandard_SM(d36:2(d9))>SM(d18:1/18:1(...-ME635738--4.54782.6385534
Hex2Cer(d40:3)_feature1Hex2Cer 40:3;O2ME635844--7.2940.6708134
HexCer(d40:1)_M+H2CO2_feature2HexCer 40:1;O2ME635843--7.01828.6578034
HexCer(d41:1-OH)_M+H2CO2_feature1HexCer 41:1;O3ME635842--6.92844.6522334
HexCer(d41:1-OH)_M+H2CO2_feature2HexCer 41:1;O3ME635841--7.08858.6680234
HexCer(d42:1)_M+H2CO2_feature2HexCer 42:1;O2ME635840--7.27856.6889234
HexCer(d42:2)_M+H2CO2_feature3HexCer 42:2;O2ME635839--6.98854.6733334
LPC(16:0/0:0)_and_LPC(0:0/16:0)_feature1and2LPC 16:0ME635838--2.32540.3306434
LPC(18:0/0:0)_and_LPC(0:0/18:0)_M+H2CO2_feature1an...LPC 18:0ME635837--2.63568.3622334
LPE(18:0/0:0)_and_LPE(0:0/18:0)_feature1and2LPE 18:0ME635836--2.68480.3091334
LPE(20:0_0:0)_and_LPE(0:0/20:0)_feature1and2LPE 20:0ME635835--2.63508.3401834
LPE(O-15:0)_feature1LPE O-15:0ME635834--2.41424.2848134
PC(32:0)>PC(16:0_16:0)_M+H2CO2_feature2PC 16:0/16:0ME635833--5.25778.5612534
PC(32:1)_feature2PC 32:1ME635831--4.67776.5453034
PC(32:1)>PC(14:0_18:1)_and_PC(16:0_16:1)_M+H2CO...PC 32:1ME635832--4.55776.5451934
PC(34:1)>PC(16:0_18:1)_M+H2CO2_feature2PC 16:0_18:1ME635830--5.33804.5776534
PC(34:2)>PC(16:0_18:2)_M+H2CO2_feature1PC 16:0_18:2ME635829--4.71802.5620334
PC(35:2)>PC(17:0_18:2)_M+H2CO2_feature2PC 17:0_18:2ME635828--5.12816.5765534
PC(36:0)>PC(18:0/18:0)_M+H2CO2_feature3PC 18:0/18:0ME635827--6.88834.6234534
PC(36:1)>PC(16:0_20:1)_and_PC(18:0_18:1)_M+H2CO...PC 36:1ME635826--6.25832.6088034
PC(36:2)>PC(18:0_18:2)_M+H2CO2_feature3PC 18:0_18:2ME635825--5.56830.5935834
PC(36:2)>PC(18:1/18:1)_M+H2CO2_feature2PC 18:1/18:1ME635824--5.39830.5935934
PC(36:3)>PC(18:1_18:2)_M+H2CO2_feature2PC 18:1_18:2ME635823--4.76828.5771534
PC(36:4)>PC(16:0_20:4)_M+H2CO2_feature3PC 16:0_20:4ME635822--4.59826.5621934
PC(36:4)>PC(18:2/18:2)_M+H2CO2_feature2PC 18:2/18:2ME635821--4.22826.5621634
PC(37:4)>PC(17:0_20:4)_M+H2CO2_feature3PC 17:0_20:4ME635820--4.99840.5763134
PC(38:3)>PC(18:0_20:3)_M+H2CO2_feature3PC 18:0_20:3ME635819--5.79856.6078434
PC(38:4)>PC(18:0_20:4)_M+H2CO2_feature4PC 18:0_20:4ME635818--5.42854.5933734
PC(38:5)>PC(16:0_22:5)_and_PC(18:1_20:4)_M+H2CO...PC 38:5ME635817--4.64852.5768934
PC(38:6)>PC(18:2_20:4)_M+H2CO2_feature1PC 18:2_20:4ME635816--4.11850.5611934
PC(40:5)_feature3PC 40:5ME635815--5.44880.6072434
PC(40:6)>PC(18:0_22:6) _M+H2CO2_feature3PC 18:0_22:6ME635814--5.2878.5917534
PC(O-32:0)_feature1PC O-32:0ME635813--5.84764.5813634
PC(O-32:1)>PC(O-16:0/16:1)_M+H2CO2_feature2PC O-16:0/16:1ME635812--5.71762.5656434
PC(O-34:1)_feature2PC O-34:1ME635811--5.86790.5972934
PC(O-36:5)>PC(O-16:1/20:4)_M+H2CO2_feature5PC O-16:1/20:4ME635810--4.95810.5661334
PC(O-38:5)>PC(O-18:1/20:4)_M+H2CO2_feature1PC O-18:1/20:4ME635809--5.12838.5973834
PC(O-38:5)>PC(O-18:1/20:4)_M+H2CO2_feature2PC O-18:1/20:4ME635808--5.84838.5973434
PE(34:1)>PE(16:0_18:1)_feature1PE 16:0_18:1ME635807--5.59716.5238134
PE(34:2)>PE(16:0_18:2)_feature2PE 16:0_18:2ME635806--4.94714.5083134
PE(36:1)>PE(18:0_18:1)_feature3PE 18:0_18:1ME635805--6.5744.5560434
PE(36:2)>PE(18:0_18:2)_feature2PE 18:0_18:2ME635804--5.82742.5402834
PE(36:2)>PE(18:1/18:1)_feature2PE 18:1/18:1ME635803--5.65742.5402934
PE(36:3)>PE(18:1_18:2)_feature1PE 18:1_18:2ME635802--4.99740.5243034
PE(36:4)>(16:0_20:4)_feature3-ME635801--4.81738.5088234
PE(38:4)>PE(16:0_22:4)_feature4PE 16:0_22:4ME635800--5.38766.5406134
PE(38:4)>PE(18:0_20:4)_feature5PE 18:0_20:4ME635799--5.68766.5405934
PE(38:5)_feature4PE 38:5ME635798--4.97832.5114434
PE(38:5)>PE(16:0_22:5)_and_PE(38:5)>PE(18:1_...PE 38:5ME635797--4.87764.5240034
PE(38:6)>PE(16:0_22:6)_feature3PE 16:0_22:6ME635796--4.61762.5080234
PE(40:4)>PE(18:0_22:4)_feature2PE 18:0_22:4ME635795--6.29794.5714034
PE(40:5)>PE(18:0_22:5)_feature3PE 18:0_22:5ME635794--5.71792.5549334
PE(40:6)>PE(18:0_22:6)_feature2PE 18:0_22:6ME635793--5.45790.5396334
PE(40:7)>PE(18:1_22:6)_and_PE(18:0_22:7)_featur...PE 40:7ME635792--4.66788.5239034
PE(O-16:1_20:4)_feature3PE O-16:1/20:4ME635777--6.4764.5601634
PE(O-34:2)>PE(O-16:2/18:0)_and_PE(O-18:2/16:0)_...PE O-34:2ME635791--6.07700.5294234
PE(O-34:3)>PE(O-16:1/18:2)_feature1PE O-16:1/18:2ME635790--5.37698.5129634
PE(O-34:5)>PE(O-17:1/20:4)_feature1PE O-17:1/20:4ME635788--5.5736.5288034
PE(O-34:5)>PE(O-17:1/20:4)_feature2PE O-17:1/20:4ME635789--5.66736.5288134
PE(O-36:3)>PE(O-18:1/18:2)_feature6PE O-18:1/18:2ME635787--6.3726.5446834
PE(O-36:3)>PE(O-18:2/18:1)_feature3PE O-18:2/18:1ME635786--6.121454.096263
PE(O-36:4)>PE(O-18:2/18:2)_feature1PE O-18:2/18:2ME635785--5.42724.5286234
PE(O-36:4)>PE(O-18:3/18:1)_feature6PE O-18:3/18:1ME635784--6.84728.5609134
PE(O-36:5)>PE(O-16:1/20:4)_feature3PE O-16:1/20:4ME635783--5.21722.5142334
PE(O-38:5)>PE(O-16:1/22:4)_feature5PE O-16:1/22:4ME635782--5.83750.5456034
PE(O-38:5)>PE(O-18:1/20:4)_feature6PE O-18:1/20:4ME635781--6.13750.5455934
PE(O-38:6)>PE(O-18:2/20:4)_and_PE(O-16:1/22:5)_...PE O-38:6ME635780--5.26748.5293134
PE(O-38:7)>PE(O-16:1/22:6)_and_PE(O-20:7/18:0)_...PE O-38:7ME635779--4.98746.5136934
PE(O-38:7)>PE(O-18:3/20:4)_feature1PE O-18:3/20:4ME635778--4.64746.5136234
PE(O-40:4)>PE(O-18:0/22:4)_feature4PE O-18:0/22:4ME635771--6.87778.5767034
PE(O-40:5)>PE(O-18:1/22:4)_feature3PE O-18:1/22:4ME635776--6.69778.5767134
PE(O-40:6)>PE(O-18:1/22:5)_feature3PE O-18:1/22:5ME635775--6.16776.5601234
PE(O-40:6)>PE(O-18:2/22:4)_feature2PE O-18:2/22:4ME635774--5.88776.5601134
PE(O-40:7)>PE(O-18:1/22:6)_and_PE(O-22:7/18:0)_...PE O-40:7ME635773--5.88774.5450634
PE(O-40:8)>PE(O-22:8/18:0)_and_PE(O-18:2/22:6)_...PE O-40:8ME635772--5.03772.5291934
PG(34:1)>PG(16:0_18:1)_feature1PG 16:0_18:1ME635770--4.89747.5180134
PI(36:4)>PI(16:0_20:4)_feature1PI 16:0_20:4ME635769--4.13857.5193034
PI(38:4)>PI(18:0_20:4)_feature2PI 18:0_20:4ME635768--4.87885.5512934
PI(38:5)>PI(18:1_20:4)_feature1PI 18:1_20:4ME635767--4.19883.5349934
PS(36:1)>PS(18:0_18:1)_feature1PS 18:0_18:1ME635766--5.74788.5452334
PS(36:2)>PS(18:0_18:2)_feature4PS 18:0_18:2ME635765--5.09786.5299034
PS(38:4)>PS(18:0_20:4)_feature2PS 18:0_20:4ME635764--4.97810.5300334
PS(38:4)>PS(18:0_20:4)_feature6PS 18:0_20:4ME635763--5.82810.5296934
PS(40:4)>PS(18:0_22:4)_feature1PS 18:0_22:4ME635762--5.55838.5604334
PS(40:5)>PS(18:0_22:5)_feature2PS 18:0_22:5ME635761--5836.5450734
PS(O-40:7)>PS(O-18:3/22:4)_feature1PS O-18:3/22:4ME635760--5.83818.5321734
PS(O-40:7)>PS(O-20:3/20:4)_feature2PS O-20:3/20:4ME635759--6.13818.5321734
PS(O-42:7)>PS(O-20:3/22:4)_feature1PS O-20:3/22:4ME635758--6.69846.5637134
SM(d34:0)_M+H2CO2_feature1SM 34:0;O2ME635757--4.75749.5816534
SM(d34:1)_M+H2CO2_feature1SM 34:1;O2ME635756--4.46747.5673934
SM(d36:1)_M+H2CO2_feature1SM 36:1;O2ME635755--5.28775.5976634
SM(d36:2)_M+H2CO2_feature1SM 36:2;O2ME635754--4.59773.5814434
SM(d38:1)_M+H2CO2_feature2SM 38:1;O2ME635753--6.22803.6290534
SM(d40:0-OH)_feature1SM 40:0;O3ME635752--7.2849.6626134
SM(d40:1)_M+H2CO2_feature2SM 40:1;O2ME635751--6.91831.6608134
SM(d40:2)_M+H2CO2_feature1SM 40:2;O2ME635750--6.17829.6444434
SM(d40:2)_M+H2CO2_feature2SM 40:2;O2ME635749--6.4829.6444834
SM(d41:2)_M+H2CO2_feature1SM 41:2;O2ME635748--6.78843.6605334
SM(d42:1)_M+H2CO2_feature2SM 42:1;O2ME635747--7.2859.6922634
SM(d42:2)_M+H2CO2_feature1SM 42:2;O2ME635746--6.87857.6766234
SM(d42:2)_M+H2CO2_feature1and2SM 42:2;O2ME635745--6.99857.6765134
SM(d42:3)_M+H2CO2_feature1SM 42:3;O2ME635744--6.3855.6603034


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