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Analysis: ESI/QTOF positive ion mode

SelectMetabolite Name RefMet Name/Standardized Name* WorkBench
Metabolite_ID		 PubChem
Compound_ID		 Kegg Id Retention
time/index		 m/z ratio
1-hexadecyl-2-(8Z,11Z,14Z-eicosatrienoyl)-sn-glyce...PC O-16:0/20:5ME65567116759365-5.81770.6
1-hexadecyl-2-(9Z-octadecenoyl)-sn-glycero-3-phosp...PC O-16:0/18:1ME65567224779266-5.84746.6
1-Stearoyl-2-oleoyl-sn-glycero-3-phosphoethanolami...PE 18:0/18:1ME6556739546742-6.04728.56
Benzyl dodecyl dimethylammonium cation-ME655674--0.99304.3
Benzyl tetradecyl dimethylammonium cation-ME655675--1.45332.33
CE (16:1)CE 16:1ME655676--10.3645.55
CE (18:1)CE 18:1ME6556775283632C1464110.85673.59
Ceramide (d18:1/23:0)Cer 18:1;O2/23:0ME65567852931115-7.91636.63
Ceramide (d40:1)Cer 40:1;O2ME6556795283567-7.59622.61
Ceramide (d42:1)Cer 42:1;O2ME6556805283571-8.23650.64
Ceramide (d42:2)Cer 42:2;O2ME6556815283568-7.57648.63
CholesterolCholesterolME6556825997C001874.78369.35
DG (34:1)DG 34:1ME655683--6.84617.51
DG (36:2)DG 36:2ME655684--6.9643.53
DG (36:3)DG 36:3ME655685--6.44641.52
DG 38:4;DG(18:0/20:4/0:0)DG 18:0/20:4/0:0*ME655687--6.86662.57
DG (38:5)DG 38:5ME655686--6.23660.55
Dioctyl phthalateDioctyl phthalateME6556888343C142273.42413.27
GlcCer (40:1)GlcCer 40:1;O2ME655689--6.93784.66
GlcCer (42:1)GlcCer 42:1;O2ME655690--7.59812.69
GlcCer (42:2)GlcCer 42:2;O2ME655691--6.89810.67
Lactosylceramide (d18:1/24:1(15Z))LacCer 18:1;O2/24:1ME65569220057309-6.64972.73
LPC (16:0)LPC 16:0ME655693460602C042301.45496.34
LPC (18:0)LPC 18:0ME65569424779527-2.2524.37
LPC (18:1)LPC 18:1ME65569553480465-1.49522.36
N-(15Z-tetracosenoyl)-1-.beta.-galactosyl-sphing-4...-ME655696--7.4810.67
N-Tetracosenoyl-4-sphingenyl-1-O-phosphorylcholineSM 18:1;O2/24:1ME655697--6.64813.68
PC (18:1/16:0)PC 18:1/16:0ME655698--5.45760.58
PC (28:0)PC 28:0ME655699--4.19678.51
PC (30:0)PC 30:0ME655700--4.77706.54
PC (30:1)PC 30:1ME655701--4.27704.53
PC (32:0)PC 32:0ME655702--5.36756.56
PC (32:1)PC 32:1ME655703--4.84732.55
PC (32:2)PC 32:2ME655704--4.37730.54
PC (32:3)PC 32:3ME655705--4.76728.53
PC (33:1)PC 33:1ME655706--5.15746.57
PC (33:2)PC 33:2ME655707--4.65744.56
PC (34:2)PC 34:2ME655708--4.93758.57
PC (34:3)PC 34:3ME655709--4.59756.55
PC (35:2)PC 35:2ME655710--5.24772.59
PC (35:3)PC 35:3ME655711--4.77770.56
PC (36:1)PC 36:1ME655712--6.11788.62
PC (36:2)PC 36:2ME655713--5.53786.6
PC (36:3) APC 36:3ME655714--5.06784.58
PC (36:4)PC 36:4ME655715--4.9804.56
PC (36:5)PC 36:5ME655716--4.45780.55
PC (36:5) CPC 36:5ME655717--4.95780.55
PC (36:6) APC 36:6ME655718--4.19778.55
PC (37:2)PC 37:2ME655719--5.84800.62
PC (37:3)PC 37:3ME655720--5.48798.6
PC (38:2)PC 38:2ME655721--6.14814.63
PC (38:3)PC 38:3ME655722--5.65812.61
PC (38:5) APC 38:5ME655723--4.95808.58
PC (38:6)PC 38:6ME655724--4.74828.56
PC (38:6) BPC 38:6ME655725--5.07806.57
PC (38:7)PC 38:7ME655726--4.26804.56
PC (40:1)PC 40:1ME655727--7.32844.68
PC (40:3)PC 40:3ME655728--6.27840.64
PC (40:5) APC 40:5ME655729--5.5836.61
PC (40:6) APC 40:6ME655730--4.98834.6
PC (40:7)PC 40:7ME655731--4.79832.59
PC (40:8)PC 40:8ME655732--4.42830.58
PC (42:10)PC 42:10ME655733--4.29854.58
PC (42:5)PC 42:5ME655734--6.07864.64
PC (42:6)PC 42:6ME655735--5.58862.63
PC-O (32:0) (plasmanyl/plasmenyl)PC O-32:0ME655736--5.78720.59
PC-O (34:0) (plasmanyl/plasmenyl)PC O-34:0ME655737--6.46748.61
PC-O (34:2) (plasmanyl/plasmenyl) APC P-34:1 or PC O-34:2ME655738--5.31744.59
PC-O (36:2) (plasmanyl/plasmenyl)PC P-36:1 or PC O-36:2ME655739--5.9772.62
PC-O (36:3) (plasmanyl/plasmenyl)PC P-36:2 or PC O-36:3ME655740--5.58770.6
PC-O (36:4) (plasmanyl/plasmenyl)PC P-36:3 or PC O-36:4ME655741--5.26768.59
PC-O (36:5) (plasmanyl/plasmenyl)PC P-36:4 or PC O-36:5ME655742--5.13766.57
PC-O (38:5) (plasmanyl/plasmenyl) APC P-38:4 or PC O-38:5ME655743--5.3794.6
PC-O (38:5) (plasmanyl/plasmenyl) BPC P-38:4 or PC O-38:5ME655744--5.9794.6
PC-O (38:6) (plasmanyl/plasmenyl)PC P-38:5 or PC O-38:6ME655745--5.11792.59
PC-O (40:5) (plasmanyl/plasmenyl)PC P-40:4 or PC O-40:5ME655746--5.92822.63
PC-O (40:7) (plasmanyl/plasmenyl) APC P-40:6 or PC O-40:7ME655747--5.13818.6
PC-O (40:7) (plasmanyl/plasmenyl) BPC P-40:6 or PC O-40:7ME655748--5.61818.6
PC-O (40:8) (plasmanyl/plasmenyl)PC P-40:7 or PC O-40:8ME655749--5.33816.59
PC-O (42:5) (plasmanyl/plasmenyl)PC P-42:4 or PC O-42:5ME655750--6.59850.66
PC-O (44:5) (plasmanyl/plasmenyl)PC P-44:4 or PC O-44:5ME655751--7.21878.7
PE-O (36:5) (plasmanyl/plasmenyl)PE P-36:4 or PE O-36:5ME655752--5.35724.53
PE-O (38:5) (plasmanyl/plasmenyl)PE P-38:4 or PE O-38:5ME655753--5.98752.56
PE-O (38:6) (plasmanyl/plasmenyl)PE P-38:5 or PE O-38:6ME655754--5.38750.54
PE-O (40:6) (plasmanyl/plasmenyl)PE P-40:5 or PE O-40:6ME655755--5.99778.57
plasmenyl-PC 34:0PC P-34:0ME655756--5.72768.57
plasmenyl-PC 36:3PC P-36:3ME655757--5.54790.57
plasmenyl-PE 34:1PE P-34:1ME655758--5.95702.54
plasmenyl-PE 34:2PE P-34:2ME655759--5.39700.53
plasmenyl-PE 36:1PE P-36:1ME655760--6.63730.58
plasmenyl-PE 36:2PE P-36:2ME655761--5.98750.54
plasmenyl-PE 38:1PE P-38:1ME655762--7.24758.61
plasmenyl-PE 38:2PE P-38:2ME655763--6.65756.59
plasmenyl-PE 38:3PE P-38:3ME655764--6.26754.58
plasmenyl-PE 40:4PE P-40:4ME655765--6.6780.59
PS (36:2)PS 36:2ME655766--5.03788.55
PS (38:3)PS 38:3ME655767--5.14814.57
PS (38:4)PS 38:4ME655768--5.02812.55
SM (34:1)SM 34:1;O2ME655769--4.69725.55
SM (d18:1/14:0)SM 18:1;O2/14:0ME65577011433862-4.1675.54
SM (d18:1/16:1)SM 18:1;O2/16:1ME65577152931145-4.2701.55
SM (d40:1)SM 40:1;O2ME655772--6.67787.66
SM (d40:2) ASM 40:2;O2ME655773--6.02785.65
SM (d42:1)SM 42:1;O2ME655774--7.33815.7
SM (d44:2)SM 44:2;O2ME655775--7.3841.71
TG (14:0/14:0/14:0)TG 14:0/14:0/14:0ME65577611148-9.41745.63
TG (44:1)TG 44:1ME655777--9.44771.64
TG (46:0)TG 46:0ME655778--10.36796.74
TG (46:1)TG 46:1ME655779--9.92799.68
TG (46:2)TG 46:2ME655780--9.48797.66
TG (48:0)TG 48:0ME655781--10.77829.72
TG (48:1)TG 48:1ME655782--10.36827.71
TG (48:2)TG 48:2ME655783--9.96825.69
TG (48:3)TG 48:3ME655784--9.55823.68
TG (49:0)TG 49:0ME655785--10.95838.79
TG (49:1)TG 49:1ME655786--10.59841.73
TG (49:2)TG 49:2ME655787--10.18839.71
TG (50:0)TG 50:0ME655788--11.2857.75
TG (50:1)TG 50:1ME655789--10.77855.74
TG (50:2)TG 50:2ME655790--10.4853.73
TG (50:3)TG 50:3ME655791--9.99851.71
TG (50:4)TG 50:4ME655792--9.63849.69
TG (51:1)TG 51:1ME655793--10.98864.8
TG (51:2)TG 51:2ME655794--10.59867.74
TG (51:3)TG 51:3ME655795--10.22865.72
TG (52:0)TG 52:0ME655796--11.56885.78
TG (52:1)TG 52:1ME655797--11.18883.77
TG (52:2)TG 52:2ME655798--10.78881.76
TG (52:3)TG 52:3ME655799--10.43879.74
TG (52:4)TG 52:4ME655800--10.08877.73
TG (52:5)TG 52:5ME655801--9.83875.71
TG (53:1)TG 53:1ME655802--11.36897.78
TG (53:2)TG 53:2ME655803--11895.77
TG (53:3)TG 53:3ME655804--10.62893.75
TG (54:1)TG 54:1ME655805--11.54911.8
TG (54:2)TG 54:2ME655806--11.18909.79
TG (54:3)TG 54:3ME655807--10.82907.77
TG (54:4)TG 54:4ME655808--10.48905.76
TG (54:5)TG 54:5ME655809--10.25903.74
TG (54:6)TG 54:6ME655810--9.84901.73
TG 54:7;TG(16:0/18:2/20:5)TG 16:0/18:2/20:5ME655829--9.67894.75
TG (55:1)TG 55:1ME655811--11.7920.86
TG (55:3)TG 55:3ME655812--10.97916.83
TG (56:1)TG 56:1ME655813--11.82939.83
TG (56:2)TG 56:2ME655814--11.52937.82
TG (56:3)TG 56:3ME655815--11.17935.8
TG (56:4)TG 56:4ME655816--10.9933.79
TG (56:5)TG 56:5ME655817--10.57931.78
TG (56:6)TG 56:6ME655818--10.31929.76
TG (56:7)TG 56:7ME655819--10.13927.75
TG (56:8)TG 56:8ME655820--9.71925.73
TG (58:2)TG 58:2ME655821--11.81965.85
TG (58:3)TG 58:3ME655822--11.53963.84
TG (58:4) ATG 58:4ME655823--11.26961.82
TG (58:5)TG 58:5ME655824--10.92954.84
TG (58:6)TG 58:6ME655825--10.69957.79
TG 58:7;TG(18:0/18:2/22:5)TG 18:0/18:2/22:5*ME655830--10.32950.81
TG (58:8)TG 58:8ME655826--10.15953.76
TG (60:2)TG 60:2ME655827--11.96993.89
TG 60:3;TG(20:1/20:1/20:1)TG 20:1/20:1/20:1ME655831--11.81986.91
TG (60:5)TG 60:5ME655828--11.28982.88
TG 62:3;TG(18:1/22:1/22:1)TG 18:1/22:1/22:1*ME655832--11.961014.95
TG 66:3;TG(22:1/22:1/22:1)TG 22:1/22:1/22:1ME655833--12.121071


Analysis: ESI/QTOF negative ion mode

SelectMetabolite Name RefMet Name/Standardized Name* WorkBench
Metabolite_ID		 PubChem
Compound_ID		 Kegg Id Retention
time/index		 m/z ratio
1-octadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-ph...PG 18:0_18:1ME65583424779551-5.74775.55
Cer (d32:1)Cer 32:1;O2ME655835--5.05554.48
Cer (d34:0)Cer 34:0;O2ME655836--6.06584.52
Cer (d34:1)Cer 34:1;O2ME655837--5.73572.48
Cer (d34:2)Cer 34:2;O2ME655838--5.14580.49
Cer (d36:1)Cer 36:1;O2ME655839--6.42610.54
Cer (d38:1)Cer 38:1;O2ME655840--7.14628.55
Cer (d39:1)Cer 39:1;O2ME655841--7.48652.59
Cer (d40:1)Cer 40:1;O2ME655842--7.83656.58
Cer (d40:2)Cer 40:2;O2ME655843--7.13664.59
Cer (d41:1)Cer 41:1;O2ME655844--8.14670.59
Cer (d42:1)Cer 42:1;O2ME655845--8.45694.64
Cer (d42:2)Cer 42:2;O2ME655846--7.8692.62
Cer (d43:1)Cer 43:1;O2ME655847--8.75708.65
Cer (d44:1)Cer 44:1;O2ME655848--9.04722.67
FA (18:1)Octadecenoic acidME655849--3.27281.25
GlcCer (d34:1)GlcCer 34:1;O2ME655850--5.08744.56
GlcCer (d38:1)GlcCer 38:1;O2ME655851--6.44800.63
GlcCer (d40:1)GlcCer 40:1;O2ME655852--7.14828.66
GlcCer (d41:1)GlcCer 41:1;O2ME655853--7.48842.68
GlcCer (d42:1)GlcCer 42:1;O2ME655854--7.82856.7
GlcCer (d42:2)GlcCer 42:2;O2ME655855--7.11854.68
LPC (16:0)LPC 16:0ME655856460602C042301.5540.33
LPC (18:1)LPC 18:1ME65585753480465-1.54566.35
LPE (20:4)LPE 20:4ME655858--1.16500.28
LPE (22:6)LPE 22:6ME65585952925132-1.12524.28
PC (30:0)PC 30:0ME655860--4.87750.53
PC (32:0)PC 32:0ME655861--5.54778.56
PC (32:1)PC 32:1ME655862--4.99776.55
PC (33:1)PC 33:1ME655863--5.3790.56
PC (33:2)PC 33:2ME655864--4.77788.54
PC (34:0)PC 34:0ME655865--6.23806.6
PC (34:1)PC 34:1ME655866--5.61804.58
PC (34:2)PC 34:2ME655867--5.09938.54
PC (34:4)PC 34:4ME655868--4.43798.53
PC (35:2)PC 35:2ME655869--5.36816.58
PC (36:1)PC 36:1ME655870--6.28968.59
PC (36:2)PC 36:2ME655871--5.73966.57
PC (36:3)PC 36:3ME655872--5.19828.58
PC (36:4) APC 36:4ME655873--5.02826.56
PC (36:5)PC 36:5ME655874--4.55824.55
PC (37:4)PC 37:4ME655875--6.06840.61
PC (38:2)PC 38:2ME655876--6.29858.63
PC (38:3)PC 38:3ME655877--5.8856.6
PC (38:4)PC 38:4ME655878--5.67854.59
PC (38:5)PC 38:5ME655879--5.07852.58
PC (38:6)PC 38:6ME655880--4.85850.56
PC (40:5)PC 40:5ME655881--5.7880.61
PC (40:6)PC 40:6ME655882--5.5878.59
PE (34:1) BPE 34:1ME655883--5.8716.52
PE (34:2) BPE 34:2ME655884--5.22714.51
PE (35:2)PE 35:2ME655885--5.54728.53
PE (36:2) APE 36:2ME655886--5.06742.54
PE (36:2) BPE 36:2ME655887--5.87742.54
PE (36:3) BPE 36:3ME655888--5.35740.52
PE (36:4)PE 36:4ME655889--4.91738.51
PE (36:4) BPE 36:4ME655890--5.19738.51
PE (38:1) APE 38:1ME655891--5.91818.59
PE (38:2) APE 38:2ME655892--5.68770.57
PE (38:4) BPE 38:4ME655893--5.86766.54
PE (40:2) APE 40:2ME655894--5.99844.61
PE (44:3) APE 44:3ME655895--6.54852.66
PG (34:1)PG 34:1ME655896--5.11747.52
PG (34:2)PG 34:2ME655897--4.61745.51
PG (36:2)PG 36:2ME655898--4.79773.53
PG (36:3)PG 36:3ME655899--4.43771.52
PG (40:7)PG 40:7ME655900--4.18819.52
PG (44:1)PG 44:1ME655901--6.25923.64
PI (32:0) (16:0/16:0)PI 32:0ME655902--4.89809.52
PI (32:1)PI 32:1ME655903--4.38807.5
PI (34:1)PI 34:1ME655904--4.93835.54
PI (34:2)PI 34:2ME655905--4.45901.51
PI (36:1)PI 36:1ME655906--5.58863.57
PI (36:2)PI 36:2ME655907--5.01861.55
PI (36:3)PI 36:3ME655908--4.64859.53
PI (36:4)PI 36:4ME655909--4.45925.51
PI (38:3)PI 38:3ME655910--5.25887.56
PI (38:4)PI 38:4ME655911--5.01953.54
PI (38:5)PI 38:5ME655912--4.51883.54
PI (38:6)PI 38:6ME655913--4.31881.52
PI (40:6)PI 40:6ME655914--4.89909.55
plasmenyl-PC (32:0)PC P-32:0ME655915--5.83762.56
plasmenyl-PC (34:0)PC P-34:0ME655916--6.01790.6
plasmenyl-PC (34:1)PC P-34:1ME655917--5.42788.58
plasmenyl-PC (36:0)PC P-36:0ME655918--7.15818.63
plasmenyl-PC (36:1)PC P-36:1ME655919--6.06816.61
plasmenyl-PC (36:3)PC P-36:3ME655920--5.4812.58
plasmenyl-PC (36:4)PC P-36:4ME655921--5.28810.56
plasmenyl-PC (38:0)PC P-38:0ME655922--7.81846.67
plasmenyl-PC (38:4)PC P-38:4ME655923--5.44838.59
plasmenyl-PC (40:4)PC P-40:4ME655924--6.09866.63
plasmenyl-PE 34:0;PE P-34:0ME655935--6.75702.55
plasmenyl-PE (34:1)PE P-34:1ME655925--6.14700.52
plasmenyl-PE (34:2)PE P-34:2ME655926--5.6698.51
plasmenyl-PE (36:1)PE P-36:1ME655927--6.81728.56
plasmenyl-PE (36:2)PE P-36:2ME655928--6.19726.54
plasmenyl-PE (36:4)PE P-36:4ME655929--5.49722.51
plasmenyl-PE (36:5)PE P-36:5ME655930--5.05720.5
plasmenyl-PE (38:6)PE P-38:6ME655931--5.3746.51
plasmenyl-PE (40:5)PE P-40:5ME655932--6.22776.56
plasmenyl-PE (40:6)PE P-40:6ME655933--5.96774.55
plasmenyl-PE (40:7)PE P-40:7ME655934--5.36772.53
PS (36:2)PS 36:2ME655936--5.53846.55
PS (39:3)PS 39:3ME655937--5.58872.56
SM (d32:1)SM 32:1;O2ME655938--4.21719.53
SM (d33:1)SM 33:1;O2ME655939--4.5733.55
SM (d34:1)SM 34:1;O2ME655940--4.82747.56
SM (d36:1)SM 36:1;O2ME655941--5.5775.59
SM (d38:1)SM 38:1;O2ME655942--6.19871.62
SM (d38:2)SM 38:2;O2ME655943--5.57801.61
SM (d40:1)SM 40:1;O2ME655944--6.89899.65
SM (d40:2)SM 40:2;O2ME655945--6.19829.64
SM (d42:1)SM 42:1;O2ME655946--7.55995.67
SM (d42:2)SM 42:2;O2ME655947--6.85993.65
SM (d42:3)SM 42:3;O2ME655948--6.27855.66


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