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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;O2ME626373--5.321166.025757
Cer(d36:2)_M+H2CO2_feature1Cer 36:2;O2ME626372--5.48608.5246066
Cer(d38:1)_M+H2CO2_feature1Cer 38:1;O2ME626371--6.87638.5720866
Cer(d41:1)_M+H2CO2_feature1Cer 41:1;O2ME626370--7.33680.6192366
Cer(d42:1)_M+H2CO2_feature3Cer 42:1;O2ME626369--7.49694.6349766
Cer(d42:2)_M+H2CO2_feature4Cer 42:2;O2ME626368--7.13692.6191566
CL(70:7)_feature1CL 70:7ME626367--7.551421.948417
CL(72:7)_feature1CL 72:7ME626366--7.761449.970877
GTInternalStandard_PC(18:1(d7))>PC(18:1(9z,d7)/...-ME626248--2.21573.3891966
GTInternalStandard_PC(33:1(d7))>PC(15:0/18:1(9z...-ME626247--4.79797.6039166
GTInternalStandard_PE(18:1(d7))>PE(18:1(9z,d7)/...-ME626246--2.25485.3365366
GTInternalStandard_PE(33:1(d7))>PE(15:0/18:1(9z...-ME626245--5.03709.5511466
GTInternalStandard_PG(33:1(d7))>PG(15:0/18:1(9z...-ME626244--4.43740.5456666
GTInternalStandard_PI(33:1(d7))>PI(15:0/18:1(9z...-ME626250--4.26828.5618566
GTInternalStandard_PS(33:1(d7))>PS(15:0/18:1(9z...-ME626249--4.36753.5406666
GTInternalStandard_SM(d36:2(d9))>SM(d18:1/18:1(...-ME626243--4.42782.6372266
Hex2Cer(d40:3)Hex2Cer 40:3;O2ME626365--7.1940.6701166
HexCer(d40:1)_M+H2CO2_feature2HexCer 40:1;O2ME626364--6.89828.6569466
HexCer(d40:1-OH)>HexCer(d18:1/22:0-OH)_feature2HexCer 18:1;O2/22:0;OME626363--6.82798.6459366
HexCer(d41:1-OH)_M+H2CO2_feature2HexCer 41:1;O3ME626362--6.96858.6673066
HexCer(d42:1) M+ H2CO2_feature2HexCer 42:1;O2ME626361--7.17856.6881766
HexCer(d42:2) M+ H2CO2_feature3HexCer 42:2;O2ME626360--6.86854.6724166
LPC(16:0)>LPC(16:0/0:0)_and_LPC(0:0/16:0)_M+H2C...LPC 16:0ME626359--2.15540.3296366
LPC(18:0/0:0)_and_LPC(0:0/18:0)_M+H2CO2_feature1an...LPC 18:0ME626358--2.47568.3610066
LPE(O-15:0)_feature1LPE O-15:0ME626357--2.25424.2838866
New_Cer(d36:1)Cer 36:1;O2ME626385--6.29564.5353866
New_CL(72:6)CL 72:6ME626384--7.961451.995337
New_CL(72:8) M-2HCL 72:8ME626383--7.581447.965547
New_CL(74:10)CL 74:10ME626381--7.531471.964107
New_CL(74:10)_feature1CL 74:10ME626382--7.761471.961227
New_CL(74:11)CL 74:11ME626380--7.581469.945757
New_CL(74:9)CL 74:9ME626379--7.631473.979607
New_CL(76:12)CL 76:12ME626378--7.471495.963647
New_PC(40:5)>PC(20:1_20:4) _M+H2CO2PC 20:1_20:4ME626377--5.38880.6059766
New_PE(O-39:7)>PE(O-21:7/18:0)_and_PE(O-17:1/22...PE O-39:7ME626376--5.15760.5276266
New_PE(O-40:7)PE O-40:7ME626375--5.08774.5342666
New_PI(38:4)>PI(18:0_20:4)PI 18:0_20:4ME626374--4.77885.5504466
PC(30:0)>PC(14:0_16:0)_M+H2CO2_feature1PC 14:0_16:0ME626356--4.35750.5280066
PC(32:0)>PC(16:0_16:0)_M+H2CO2_feature2PC 16:0/16:0ME626355--5.17778.5599366
PC(32:1)>PC(14:0_18:1)_and_PC(16:0_16:1) M+ H2C...PC 32:1ME626354--4.43776.5439466
PC(34:0)>PC(16:0_18:0) M+ H2CO2_feature3PC 16:0_18:0ME626353--6.12806.5911566
PC(34:1)>PC(16:0_18:1)_M+H2CO2_feature2PC 16:0_18:1ME626352--5.23804.5764766
PC(34:2)>PC(16:0_18:2)_M+H2CO2_feature1PC 16:0_18:2ME626351--4.6802.5608866
PC(34:3)>PC(16:0_18:3)_M+H2CO2_feature3PC 16:0_18:3ME626350--4.21800.5441666
PC(34:3)>PC(16:1_18:2)_M+H2CO2_feature1PC 16:1_18:2ME626349--3.95800.5441566
PC(34:4)>PC(14:0_20:4)_M+H2CO2_feature2PC 14:0_20:4ME626348--3.78798.5286566
PC(35:2)>PC(17:0_18:2)_M+H2CO2_feature2PC 17:0_18:2ME626347--5.03816.5755966
PC(35:4)>PC(15:0_20:4)_M+H2CO2_feature2PC 15:0_20:4ME626346--4.11812.5442266
PC(36:1)>PC(16:0_20:1)_and_PC(18:0_18:1)_M+H2CO...PC 36:1ME626345--6.18832.6075766
PC(36:2)>PC(18:0_18:2)_M+H2CO2_feature3PC 18:0_18:2ME626344--5.49830.5925266
PC(36:3)>PC(18:1_18:2)_M+H2CO2_feature2PC 18:1_18:2ME626342--4.66828.5757166
PC(36:3)>PC(18:1_18:2)_M+H2CO2_feature3PC 18:1_18:2ME626343--4.81828.5756966
PC(36:4)>PC(16:0_20:4)_M+H2CO2_feature3PC 16:0_20:4ME626341--4.47826.5609466
PC(36:4)>PC(18:2/18:2)_M+H2CO2_feature2PC 18:2/18:2ME626340--4.08826.5609366
PC(36:5)>PC(16:0_20:5)_M+H2CO2_feature3PC 16:0_20:5ME626339--4.02824.5444566
PC(36:5)>PC(16:1_20:4)_M+H2CO2_feature2PC 16:1_20:4ME626338--3.85824.5444566
PC(37:4)>PC(17:0_20:4)_M+H2CO2_feature3PC 17:0_20:4ME626337--4.89840.5748166
PC(38:3)>PC(18:0_20:3)_M+H2CO2_feature3PC 18:0_20:3ME626336--5.72856.6066466
PC(38:4)>PC(16:0_22:4)_M+H2CO2_feature3PC 16:0_22:4ME626335--5.04854.5917666
PC(38:4)>PC(18:0_20:4)_M+H2CO2_feature4PC 18:0_20:4ME626334--5.34854.5917666
PC(38:5)>PC(16:0_22:5)_and_PC(18:1_20:4)_M+H2CO...PC 38:5ME626332--4.52852.5753366
PC(38:5)>PC(16:0_22:5)_M+H2CO2_feature5PC 16:0_22:5ME626333--4.79852.5753166
PC(38:6)>PC(16:0_22:6)_and_PC(18:0_20:6)_M+H2CO...PC 38:6ME626331--4.28850.5610266
PC(38:6)>PC(18:2_20:4)_M+H2CO2_feature1PC 18:2_20:4ME626330--3.97850.5610266
PC(40:4)>PC(18:0_22:4)_M+H2CO2_feature2PC 18:0_22:4ME626329--5.98882.6225066
PC(40:6)>PC(18:0_22:6) _M+H2CO2_feature3PC 18:0_22:6ME626328--5.11878.5918666
PC(40:7)>PC(18:1_22:6) _M+H2CO2_feature3PC 18:1_22:6ME626327--4.34876.5752266
PC(40:7)>PC(18:2_22:5)_M+H2CO2_feature1PC 18:2_22:5ME626326--4.01876.5752166
PC(40:8)>PC(20:4_20:4) _M+H2CO2_feature1PC 20:4/20:4ME626325--3.82874.5603566
PC(O-32:1)>PC(O-16:1/16:0)_M+H2CO2_feature2PC O-16:1/16:0ME626324--5.65762.5646566
PC(O-34:1)>PC(O-18:1/16:0)_M+H2CO2_feature2PC O-18:1/16:0ME626323--5.81790.5954066
PC(O-36:5)>PC(O-16:1/20:4)_M+H2CO2_feature5PC O-16:1/20:4ME626322--4.84810.5646066
PE(34:1)>PE(16:0_18:1)_feature1PE 16:0_18:1ME626321--5.5716.5226466
PE(34:2)>PE(16:0_18:2)_feature2PE 16:0_18:2ME626320--4.83714.5071466
PE(36:1)>PE(18:0_18:1)_feature3PE 18:0_18:1ME626319--6.44744.5546166
PE(36:2)>PE(18:0_18:2)_feature2PE 18:0_18:2ME626318--5.76742.5393466
PE(36:2)>PE(18:1/18:1)_feature2PE 18:1/18:1ME626317--5.57742.5393466
PE(36:3)>PE(18:1_18:2)_feature1PE 18:1_18:2ME626316--4.89740.5227066
PE(36:4)>(16:0_20:4)_feature3-ME626315--4.7738.5075066
PE(36:4)>PE(18:2/18:2)_feature1PE 18:2/18:2ME626314--4.27738.5068066
PE(37:4)>PE(17:0_20:4)_feature2PE 17:0_20:4ME626313--5.13752.5226066
PE(38:3)>PE(18:0_20:3)_feature3PE 18:0_20:3ME626312--5.98768.5542666
PE(38:4)>PE(18:0_20:4)_feature5PE 18:0_20:4ME626311--5.61766.5395766
PE(38:5)>PE(16:0_22:5)_and_PE(18:1_20:4)_featur...PE 38:5ME626310--4.74764.5229966
PE(38:5)>PE(18:0_20:5)_feature6PE 18:0_20:5ME626309--5.03764.5229966
PE(38:6)>PE(16:0_22:6)_feature3PE 16:0_22:6ME626308--4.49762.5071566
PE(38:6)>PE(18:2_20:4)_feature2PE 18:2_20:4ME626307--4.15762.5071466
PE(39:6)>PE(17:0_22:6)_feature2PE 17:0_22:6ME626306--4.91776.5223866
PE(40:4)>PE(18:0_22:4)_feature2PE 18:0_22:4ME626305--6.23794.5701566
PE(40:5)>PE(18:0_22:5)_feature3PE 18:0_22:5ME626304--5.64792.5544366
PE(40:5)>PE(18:0_22:5)_feature4PE 18:0_22:5ME626303--5.95792.5544866
PE(40:6)>PE(18:0_22:6)_feature2PE 18:0_22:6ME626302--5.37790.5395366
PE(40:7)>PE(18:2_22:5)_feature1PE 18:2_22:5ME626301--4.19788.5228966
PE(40:8)>PE(18:2_22:6)_feature1PE 18:2_22:6ME626300--3.98786.5078466
PE(O-32:1)>PE(O-16:1/16:0)_feature1PE O-16:1/16:0ME626299--5.951350.032627
PE(O-34:1)>PE(O-18:1/16:0)_feature2PE O-18:1/16:0ME626298--6.72702.5437766
PE(O-34:2)>PE(O-16:2/18:0)_and_PE(O-18:2/16:0)_...PE O-34:2ME626297--6700.5281766
PE(O-34:3)>PE(O-16:1/18:2)_feature1PE O-16:1/18:2ME626296--5.28698.5119866
PE(O-36:3)>PE(O-18:1/18:2)_feature6PE O-18:1/18:2ME626295--6.24726.5438266
PE(O-36:3)>PE(O-18:2/18:1)_feature3PE O-18:2/18:1ME626294--6.05726.5439566
PE(O-36:4)>PE(O-18:2/18:2)_feature1PE O-18:2/18:2ME626293--5.32724.5275166
PE(O-36:4)>PE(O-18:3/18:1)_feature6PE O-18:3/18:1ME626292--6.74728.5598866
PE(O-36:5)>PE(O-16:1/20:4)_feature3PE O-16:1/20:4ME626291--5.11722.5125666
PE(O-38:5)>PE(O-16:1/22:4)_feature5PE O-16:1/22:4ME626290--5.75750.5440166
PE(O-38:5)>PE(O-18:1/20:4)_feature6PE O-18:1/20:4ME626289--6.06750.5440166
PE(O-38:6)>PE(O-18:2/20:4)_and_PE(O-16:1/22:5)_...PE O-38:6ME626288--5.15748.5284366
PE(O-38:6)>PE(O-18:2/20:4)_and_PE(O-16:1/22:5)_...PE O-38:6ME626287--5.45748.5284266
PE(O-38:7)>PE(O-16:1/22:6)_and_PE(O-20:7/18:0)_...PE O-38:7ME626286--4.88746.5132466
PE(O-39:7)>PE(O-21:7/18:0)_and_PE(O-17:1/22:6)_...PE O-39:7ME626285--5.32760.5276066
PE(O-40:5)>PE(O-18:1/22:4)_feature4PE O-18:1/22:4ME626284--6.6778.5753366
PE(O-40:6)>PE(O-18:1/22:5)_feature4PE O-18:1/22:5ME626282--6.1776.5599766
PE(O-40:6)>PE(O-18:1/22:5)_feature5PE O-18:1/22:5ME626283--6.39776.5599566
PE(O-40:7)>PE(O-18:1/22:6)_and_PE(O-22:7/18:0)_...PE O-40:7ME626281--5.81774.5446666
PE(O-40:7)>PE(O-18:2/22:5)_feature4PE O-18:2/22:5ME626280--5.2774.5446866
PE(O-40:8)>PE(O-22:8/18:0)_and_PE(O-18:2/22:6)_...PE O-40:8ME626279--4.92772.5281466
PG(34:2)>PG(16:0_18:2)_feature1PG 16:0_18:2ME626278--4.27745.5012966
PI(36:2)>PI(18:0_18:2)_feature2PI 18:0_18:2ME626277--4.89861.5486366
PI(38:3)>PI(18:0_20:3)_feature2PI 18:0_20:3ME626275--5.1887.5647866
PI(38:3)>PI(18:0_20:3)_feature4PI 18:0_20:3ME626276--5.39887.5647666
PI(38:5)>PI(18:1_20:4)_feature1PI 18:1_20:4ME626274--4.06883.5335866
PI(40:4)>PI(18:0_22:4)_feature1PI 18:0_22:4ME626273--5.36913.5797466
PI(40:5)>PI(18:0_22:5)_feature1PI 18:0_22:5ME626272--4.8911.5645866
PI(40:6)>PI(18:0_22:6)_feature2PI 18:0_22:6ME626271--4.57909.5486266
PS(36:1)>PS(18:0_18:1)_feature1PS 18:0_18:1ME626270--5.67788.5439866
PS(36:2)>PS(18:0_18:2)_feature4PS 18:0_18:2ME626269--5786.5286066
PS(38:4)>PS(18:0_20:4)_feature2PS 18:0_20:4ME626268--4.87810.5280466
PS(38:6)>PS(16:0_22:6)_feature1PS 16:0_22:6ME626267--3.93806.4973066
PS(40:4)>PS(18:0_22:4)_feature1PS 18:0_22:4ME626266--5.47838.5596866
PS(40:5)>PS(18:0_22:5)_feature2PS 18:0_22:5ME626264--4.9836.5436766
PS(40:5)>PS(18:0_22:5)_feature5PS 18:0_22:5ME626265--5.2836.5436066
PS(40:6)>PS(18:0_22:6)_feature2PS 18:0_22:6ME626263--4.61834.5645266
PS(40:6)>PS(18:0_22:6)_feature3PS 18:0_22:6ME626262--4.67834.5288166
PS(O-42:7)>PS(O-20:3/22:4)_feature1PS O-20:3/22:4ME626261--6.6846.5625466
SM(d36:1)_M+H2CO2_feature1SM 36:1;O2ME626259--5.2775.5968566
SM(d38:1)_M+H2CO2_feature2SM 38:1;O2ME626258--6.18803.6280666
SM(d40:1)_M+H2CO2_feature2SM 40:1;O2ME626257--6.82831.6596966
SM(d42:1)_M+H2CO2_feature2SM 42:1;O2ME626255--7.11859.6911666
SM(d42:2)_M+H2CO2_feature2SM 42:2;O2ME626254--6.77857.6754266
SM(d42:3)_M+H2CO2_feature1SM 42:3;O2ME626253--6.25855.6592466
Sulfatide(d34:1)_feature1SHexCer 34:1;O2ME626260--4.35747.5653566
Sulfatide(d41:1)_feature1SHexCer 41:1;O2ME626256--6.97845.6751466
Sulfatide(d42:1)_feature2SHexCer 42:1;O2ME626252--6.81890.6391266
Sulfatide(d42:1-OH)_feature1SHexCer 42:1;O3ME626251--6.74906.6340966


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