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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
Acylcarnitine C10:0CAR 10:0ME11559711953821C032990.591316.2478
Acylcarnitine C12:0CAR 12:0ME11559810427569-0.74344.2801
Acylcarnitine C16:0CAR 16:0ME11559911953816C029901.8400.342
Acylcarnitine C18:0CAR 18:0ME11560052922056-2.544428.3727
Acylcarnitine C18:1CAR 18:1ME1156016441392-1.95426.3578
Acylcarnitine C18:2CAR 18:2ME11560251000598-1.5424.3425
CE (18:1)CE 18:1ME1156035283632C1464111.136673.5894
CE (18:2)CE 18:2ME1156045287939C1544110.586671.5738
CE (20:4)CE 20:4ME11560553480459-10.245695.5738
CE (22:6)CE 22:6ME11560614274978C025309.988719.5738
Ceramide (d18:1/23:0)Cer 18:1;O2/23:0ME11560752931115-8.139636.6289
Ceramide (d40:1)Cer 40:1;O2ME1156085283567-7.823622.6133
Ceramide (d42:1)Cer 42:1;O2ME1156095283571-8.445650.644
Ceramide (d42:2)Cer 42:2;O2ME1156105283568-7.791648.6289
CholesterolCholesterolME1156115997C001874.957369.3516
DG (34:1)DG 34:1ME115612--7.068617.5116
DG (34:2)DG 34:2ME115613---610.5411
DG (36:2) ADG 36:2ME115614--7.126643.5272
DG (36:2) BDG 36:2ME115615--7.126638.5718
DG (36:2) CDG 36:2ME115616--6.365643.5272
DG (36:3) ADG 36:3ME115617--6.596641.5115
DG (36:3) BDG 36:3ME115618--6.596636.5562
DG (36:3) CDG 36:3ME115619--6.596641.5115
DG (38:5) ADG 38:5ME115620--6.438665.5116
DG (38:5) BDG 38:5ME115621--6.526660.5562
DG (38:5) CDG 38:5ME115622--6.438665.5116
Gal-Gal-Cer(d18:1/16:0) or Lactosylceramide(d18:1/...LacCer 18:1;O2/16:0ME11562344260140-4.874862.625
GlcCer (d40:1)GlcCer 40:1;O2ME115624--7.226806.648
GlcCer (d42:1)GlcCer 42:1;O2ME115625--7.876812.69747
GlcCer (d42:2)GlcCer 42:2;O2ME115626--7.272832.6636
Lactosylceramide (d18:1/24:1(15Z))LacCer 18:1;O2/24:1ME11562720057309-6.861972.7346
LPC (14:0)LPC 14:0ME115628460604C042301.031468.3089
LPC (16:0)LPC 16:0ME115629460602C042301.6496.3395
LPC (18:0)LPC 18:0ME115630--2.344524.3708
LPC (18:1)LPC 18:1ME115631--1.562522.3551
LPC (18:2)LPC 18:2ME115632--1.388520.3395
LPC (20:4)LPC 20:4ME115633--1.35544.3403
LPC (o-16:0)LPC O-16:0ME115634162126C139031.802482.3606
PC (30:0)PC 30:0ME115635--4.907706.5378
PC (32:0)PC 32:0ME115636--5.579734.5691
PC (32:1)PC 32:1ME115637--4.974732.5535
PC (32:2)PC 32:2ME115638--4.517730.5378
PC (32:3)PC 32:3ME115639--4.907728.5222
PC (33:1)PC 33:1ME115640--5.339746.57
PC (33:2)PC 33:2ME115641--4.8744.5541
PC (34:0)PC 34:0ME115642--6.218762.6004
PC (34:1)PC 34:1ME115643--5.653760.5904
PC (34:2)PC 34:2ME115644--5.173758.5751
PC (34:3)PC 34:3ME115645--4.65756.5514
PC (35:1)PC 35:1ME115646--5.96774.6007
PC (35:2)PC 35:2ME115647--5.454772.5854
PC (35:3)PC 35:3ME115648--4.957770.5694
PC (36:1)PC 36:1ME115649--6.322788.6161
PC (36:2)PC 36:2ME115650--5.803786.6004
PC (36:3) APC 36:3ME115651--5.154784.5848
PC (36:3) BPC 36:3ME115652--5.404784.5848
PC (36:4) APC 36:4ME115653--4.716782.5694
PC (36:4) BPC 36:4ME115654--5.023782.5721
PC (36:4) CPC 36:4ME115655--5.645782.5691
PC (36:5) APC 36:5ME115656--4.379780.5538
PC (36:5) BPC 36:5ME115657--4.699780.5538
PC (37:2)PC 37:2ME115658--6.118800.6161
PC (37:4)PC 37:4ME115659--5.388796.5848
PC (38:2)PC 38:2ME115660--6.536814.6317
PC (38:3)PC 38:3ME115661--6.046812.6137
PC (38:4) APC 38:4ME115662--5.854810.6004
PC (38:4) BPC 38:4ME115663--6.322810.6004
PC (38:5) APC 38:5ME115664--5.096808.5848
PC (38:5) BPC 38:5ME115665--5.322808.5848
PC (38:6) APC 38:6ME115666--4.874806.5691
PC (40:4)PC 40:4ME115667--6.246838.632
PC (40:5) APC 40:5ME115668--5.804836.6164
PC (40:5) BPC 40:5ME115669--6.054836.6164
PC (40:6) APC 40:6ME115670--5.247834.6007
PC (40:6) BPC 40:6ME115671--5.604834.6007
PC (40:7)PC 40:7ME115672--5.016832.5848
PC (40:8)PC 40:8ME115673--4.569830.5694
PC (o-32:0)PC O-32:0ME115674--5.96720.5902
PC (p-32:0) or PC (o-32:1)PC P-32:0 or PC O-32:1ME115675--5.877718.5745
PC (p-34:0) or PC (o-34:1)PC P-34:0 or PC O-34:1ME115676--6.01746.6058
PC (p-34:1) or PC (o-34:2) APC P-34:1 or PC O-34:2ME115677--5.546744.5908
PC (p-34:2) or PC (o-34:3)PC P-34:2 or PC O-34:3ME115678--5.446742.5745
PC (p-36:1) or PC (o-36:2)PC P-36:1 or PC O-36:2ME115679--6.246772.6215
PC (p-36:2) or PC (o-36:3)PC P-36:2 or PC O-36:3ME115680--5.704770.6058
PC (p-36:3) or PC (o-36:4)PC P-36:3 or PC O-36:4ME115681--5.438768.5902
PC (p-36:4) or PC (o-36:5)PC P-36:4 or PC O-36:5ME115682--5.338766.5759
PC (p-38:3) or PC (o-38:4)PC P-38:3 or PC O-38:4ME115683--6.146796.6215
PC (p-38:4) or PC (o-38:5) APC P-38:4 or PC O-38:5ME115684--5.488794.6058
PC (p-38:4) or PC (o-38:5) BPC P-38:4 or PC O-38:5ME115685--6.096794.6054
PC (p-38:5) or PC (o-38:6)PC P-38:5 or PC O-38:6ME115686--5.446792.5902
PC (p-40:1) or PC (o-40:2)PC P-40:1 or PC O-40:2ME115687--6.916828.6842
PC (p-40:3) or PC (o-40:4)PC P-40:3 or PC O-40:4ME115688--6.876824.6528
PC (p-40:4) or PC (o-40:5)PC P-40:4 or PC O-40:5ME115689--6.196822.6371
PC (p-40:6) or PC (o-40:7) APC P-40:6 or PC O-40:7ME115690--5.354818.6058
PC (p-42:3) or PC (o-42:4)PC P-42:3 or PC O-42:4ME115691--7.486852.6859
PC (p-42:4) or PC (o-42:5)PC P-42:4 or PC O-42:5ME115692--6.836850.669
PC (p-44:4) or PC (o-44:5)PC P-44:4 or PC O-44:5ME115693--7.456878.6997
PE (34:2)PE 34:2ME115694--5.338716.5252
PE (36:1)PE 36:1ME115695--6.606746.57
PE (38:4)PE 38:4ME115696--5.74768.556
PE (38:6)PE 38:6ME115697--5.023764.5235
PE (38:7)PE 38:7ME115698--4.403784.4941
PE (40:7)PE 40:7ME115699--4.976790.5399
PE (p-36:2) or PE (o-36:3)PE P-36:2 or PE O-36:3ME115700--6.322728.5596
PE (p-36:4) or PE (o-36:5)PE P-36:4 or PE O-36:5ME115701--5.53724.5284
PE (p-38:4) or PE (o-38:5)PE P-38:4 or PE O-38:5ME115702--6.176752.559
PE (p-38:5) or PE (o-38:6)PE P-38:5 or PE O-38:6ME115703--5.674750.5437
SM (d32:0)SM 32:0;O2ME115704--4.426677.5592
SM (d32:1)SM 32:1;O2ME115705--4.227675.5439
SM (d32:2)SM 32:2;O2ME115706--3.788673.5279
SM (d33:1)SM 33:1;O2ME115707--4.517689.5592
SM (d34:0)SM 34:0;O2ME115708--5.056705.5905
SM (d34:1)SM 34:1;O2ME115709--4.816703.5773
SM (d34:2)SM 34:2;O2ME115710--4.326701.5602
SM (d36:0)SM 36:0;O2ME115711--5.761733.6218
SM (d36:1)SM 36:1;O2ME115712--5.537731.608
SM (d36:2)SM 36:2;O2ME115713--4.933729.5917
SM (d37:1)SM 37:1;O2ME115714--5.954745.6218
SM (d38:0)SM 38:0;O2ME115715--6.526761.6531
SM (d38:1)SM 38:1;O2ME115716--6.201759.6387
SM (d38:2)SM 38:2;O2ME115717--5.629757.6213
SM (d39:1)SM 39:1;O2ME115718--6.571773.6527
SM (d39:2)SM 39:2;O2ME115719--5.969771.6375
SM (d40:0)SM 40:0;O2ME115720--7.135789.6844
SM (d40:1)SM 40:1;O2ME115721--6.894787.6704
SM (d40:2) ASM 40:2;O2ME115722--6.184785.6531
SM (d40:2) BSM 40:2;O2ME115723--6.322785.6531
SM (d41:1)SM 41:1;O2ME115724--7.226801.6827
SM (d41:2)SM 41:2;O2ME115725--6.637799.6686
SM (d42:0)SM 42:0;O2ME115726--7.781817.7157
SM (d42:1)SM 42:1;O2ME115727--7.55815.7012
SM (d42:2) ASM 42:2;O2ME115728--6.861813.6873
SM (d42:2) BSM 42:2;O2ME115729--7.076813.6857
SM (d42:3)SM 42:3;O2ME115730--6.306811.6664
SM (d43:1)SM 43:1;O2ME115731--7.773829.7157
SM (d43:2) ASM 43:2;O2ME115732--7.077827.7001
SM (d43:2) BSM 43:2;O2ME115733--7.184827.7001
SM (d44:2)SM 44:2;O2ME115734--7.596841.7157
TG (14:0/14:0/14:0)TG 14:0/14:0/14:0ME11573511148-9.516745.6317
TG (42:1)TG 42:1ME115736--8.953743.6162
TG (44:1)TG 44:1ME115737--9.541771.6473
TG (46:0)TG 46:0ME115738--10.469796.7389
TG (46:1)TG 46:1ME115739--10.03799.6786
TG (46:2)TG 46:2ME115740--9.598797.663
TG (48:0)TG 48:0ME115741--11.036829.7256
TG (48:1)TG 48:1ME115742--10.486827.7099
TG (48:2)TG 48:2ME115743--10.079825.6943
TG (49:0)TG 49:0ME115744--11.112843.7412
TG (49:1)TG 49:1ME115745--10.685841.7256
TG (49:2)TG 49:2ME115746--10.262839.7118
TG (50:0)TG 50:0ME115747--11.298857.7569
TG (50:1)TG 50:1ME115748--10.908855.7412
TG (50:2)TG 50:2ME115749--10.51853.7256
TG (50:3)TG 50:3ME115750--10.104851.7099
TG (51:1)TG 51:1ME115751--11.042869.7569
TG (51:2)TG 51:2ME115752--10.71867.7412
TG (52:0)TG 52:0ME115753--11.697885.7882
TG (52:1)TG 52:1ME115754--11.306883.7725
TG (52:2)TG 52:2ME115755--10.917881.7569
TG (52:3)TG 52:3ME115756--10.56879.7412
TG (52:4)TG 52:4ME115757--10.187877.7256
TG (52:5)TG 52:5ME115758--9.814875.7099
TG (53:1)TG 53:1ME115759--11.536897.7882
TG (53:3)TG 53:3ME115760--10.886893.7569
TG (54:1)TG 54:1ME115761--11.697911.8038
TG (54:2)TG 54:2ME115762--11.306909.7882
TG (54:3)TG 54:3ME115763--10.943907.7725
TG (54:4)TG 54:4ME115764--10.577905.7569
TG (54:5) ATG 54:5ME115765--10.286903.7412
TG (54:5) BTG 54:5ME115766--10.486903.7412
TG (54:6) ATG 54:6ME115767--9.906901.7256
TG (56:1)TG 56:1ME115768--11.971939.8351
TG (56:2)TG 56:2ME115769--11.697937.8195
TG (56:3)TG 56:3ME115770--11.306935.8038
TG (56:4)TG 56:4ME115771--11.086933.7882
TG (56:7)TG 56:7ME115772--10.146927.7412
TG (58:1)TG 58:1ME115773--12.112967.8664
TG (58:2)TG 58:2ME115774--11.971965.8508
TG (60:2)TG 60:2ME115775--12.112988.9267


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
Ceramide (d33:1)Cer 33:1;O2ME115819--5.343558.4655
Ceramide (d34:0)Cer 34:0;O2ME115820--6.005574.4967
Ceramide (d34:1)Cer 34:1;O2ME115821--5.672572.4805
Ceramide (d34:2)Cer 34:2;O2ME115822--5.094570.4658
Ceramide (d36:1)Cer 36:1;O2ME115823--6.407600.5129
Ceramide (d38:1)Cer 38:1;O2ME115824--7.124628.5441
Ceramide (d40:1)Cer 40:1;O2ME1158255283567-7.822656.5756
Ceramide (d40:2)Cer 40:2;O2ME115826--7.214654.5597
Ceramide (d41:1)Cer 41:1;O2ME115827--8.146670.5907
Ceramide (d42:0)Cer 42:0;O2ME115828--8.679686.6212
Ceramide (d42:1)Cer 42:1;O2ME1158295283571-8.462684.61
Ceramide (d42:2) ACer 42:2;O2ME115830--7.78682.591
Ceramide (d42:2) BCer 42:2;O2ME115831--7.988682.591
Ceramide (d44:1)Cer 44:1;O2ME115832--9.045712.6369
FA (16:0)Palmitic acidME115833985C002492.447255.233
FA (16:1)Hexadecenoic acidME115834445638C083621.801253.2173
FA (18:0)Stearic acidME1158355281C015303.215283.2643
FA (18:1)Octadecenoic acidME115836445639C007122.663281.2486
FA (18:2)Octadecadienoic acidME1158375280450C015952.033279.2331
FA (20:4)Arachidonic acidME115838444899C002191.917303.233
FA (20:5)Eicosapentaenoic acidME115839446284C064282.267301.2175
FA (22:4)Docosatetraenoic acidME1158405497181C165272.64331.2643
FA (22:6)DHAME115841445580C064292.658327.2333
GlcCer(d14:1(4E)/20:0(2OH))GlcCer 14:1;O2(4E)/20:0;OME11584770699246-5.05750.5285
GlcCer (d38:1)GlcCer 38:1;O2ME115842--6.457790.5969
GlcCer (d40:1)GlcCer 40:1;O2ME115843--7.156818.628
GlcCer (d41:1)GlcCer 41:1;O2ME115844--7.497832.6413
GlcCer (d42:1)GlcCer 42:1;O2ME115845--7.822846.66
GlcCer (d42:2)GlcCer 42:2;O2ME115846--7.138844.6453
LPC (16:0)LPC 16:0ME115848460602C042301.536554.3464
LPC (18:0) ALPC 18:0ME115849--2.342582.3778
LPC (18:0) BLPC 18:0ME115850--2.349582.3777
LPC (18:1)LPC 18:1ME115851--1.675580.362
LPC (18:2)LPC 18:2ME115852--1.261578.3469
LPE (16:0)LPE 16:0ME115853--1.602452.2782
LPE (20:4)LPE 20:4ME115854--1.269500.2784
PC (32:0)PC 32:0ME115855--5.481792.5761
PC (32:2)PC 32:2ME115856--4.55788.5442
PC (34:1)PC 34:1ME115857--5.556794.547
PC (34:2)PC 34:2ME115858--5.15792.5396
PC (34:3)PC 34:3ME115859--4.65814.5601
PC (34:4)PC 34:4ME115860--4.5812.5448
PC (36:1)PC 36:1ME115861--6.258846.623
PC (36:2)PC 36:2ME115862--5.731820.5603
PC (36:3) APC 36:3ME115863--5.098842.5917
PC (36:3) BPC 36:3ME115864--5.5842.5917
PC (36:4) APC 36:4ME115865--4.794840.5761
PC (36:4) BPC 36:4ME115866--4.978840.5761
PC (36:5)PC 36:5ME115867--4.7838.5599
PC (38:3)PC 38:3ME115868--5.98846.5786
PC (38:4)PC 38:4ME115869--5.675868.6074
PC (38:5) APC 38:5ME115870--5.1866.5922
PC (38:5) BPC 38:5ME115871--5.178866.5916
PC (38:6)PC 38:6ME115872--4.9864.5761
PC (40:6) APC 40:6ME115873--5.55892.6076
PC (40:6) BPC 40:6ME115874--5.431892.6076
PC (p-36:3) or PC (o-36:4)PC P-36:3 or PC O-36:4ME115875--5.45826.5968
PC (p-36:4) or PC (o-36:5)PC P-36:4 or PC O-36:5ME115876--5.252814.554
PC (p-38:4) or PC (o-38:5)PC P-38:4 or PC O-38:5ME115877--5.371852.6124
PC (p-42:5) or PC (o-42:6)PC P-42:5 or PC O-42:6ME115878--6.121906.6569
PE (32:1)PE 32:1ME115879--5.272688.4916
PE (34:1)PE 34:1ME115880--5.772716.5236
PE (34:2)PE 34:2ME115881--5.268714.5079
PE (36:2)PE 36:2ME115882--6.005742.5392
PE (36:3)PE 36:3ME115883--5.343740.523
PE (36:4)PE 36:4ME115884--5.158738.5079
PE (38:4)PE 38:4ME115885--5.814766.5392
PE (38:6)PE 38:6ME115886--4.977762.5079
PE (38:7)PE 38:7ME115887--4.602760.4918
PE (40:8)PE 40:8ME115888--4.731786.5076
PE (44:3)PE 44:3ME115889--6.541852.6482
PE (p-34:1) or PE (o-34:2)PE P-34:1 or PE O-34:2ME115890--6.188700.5277
PE (p-34:2) or PE (o-34:3)PE P-34:2 or PE O-34:3ME115891--5.564698.5127
PE (p-36:1) or PE (o-36:2)PE P-36:1 or PE O-36:2ME115892--6.832728.5594
PE (p-36:2) or PE (o-36:3)PE P-36:2 or PE O-36:3ME115893--6.274726.5443
PE (p-36:4) or PE (o-36:5)PE P-36:4 or PE O-36:5ME115894--5.439722.513
PE (p-38:3) or PE (o-38:4)PE P-38:3 or PE O-38:4ME115895--6.238752.5594
PE (p-38:4) or PE (o-38:5)PE P-38:4 or PE O-38:5ME115896--6.213750.5443
PE (p-38:5) or PE (o-38:6)PE P-38:5 or PE O-38:6ME115897--5.498748.5287
PE (p-38:6) or PE (o-38:7)PE P-38:6 or PE O-38:7ME115898--5.278746.513
PE (p-40:6) or PE (o-40:7)PE P-40:6 or PE O-40:7ME115899--6.014774.5443
PE (p-40:7) or PE (o-40:8)PE P-40:7 or PE O-40:8ME115900--5.343772.5281
PG (40:8)PG 40:8ME115901--3.887817.5019
PI (34:2)PI 34:2ME115902--4.15833.5186
PI (36:2)PI 36:2ME115903--4.65861.5499
PI (36:4)PI 36:4ME115904--4.378857.5186
PI (38:4)PI 38:4ME115905--4.55885.5499
SM (d32:1)SM 32:1;O2ME115906--4.291733.5496
SM (d33:1)SM 33:1;O2ME115907--4.445747.5653
SM (d34:0)SM 34:0;O2ME115908--5.027763.5966
SM (d34:1)SM 34:1;O2ME115909--4.777761.5809
SM (d34:2)SM 34:2;O2ME115910--4.39759.5653
SM (d36:1)SM 36:1;O2ME115911----
SM (d36:2)SM 36:2;O2ME115912--4.894763.5534
SM (d38:0)SM 38:0;O2ME115913--6.174819.6563
SM (d38:1)SM 38:1;O2ME115914--6.246793.5987
SM (d38:2)SM 38:2;O2ME115915--5.547815.6284
SM (d39:1)SM 39:1;O2ME115916--6.541831.6571
SM (d40:1)SM 40:1;O2ME115917--6.89821.6302
SM (d40:2) ASM 40:2;O2ME115918--6.188843.658
SM (d40:2) BSM 40:2;O2ME115919--6.294843.658
SM (d41:1)SM 41:1;O2ME115920--7.224835.6439
SM (d42:0)SM 42:0;O2ME115921--7.574875.7218
SM (d42:1)SM 42:1;O2ME115922--7.572849.6615
SM (d42:2) ASM 42:2;O2ME115923--6.824847.6463
SM (d42:2) BSM 42:2;O2ME115924--6.824871.69
SM (d42:2) CSM 42:2;O2ME115925--6.984871.69
SM (d42:3)SM 42:3;O2ME115926--6.258845.6299


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