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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-Linoleoyl-2-stearoyl-sn-glycero-3-phospho-(1'-sn...PG 18:0_18:2ME056173--5.291792.5838
1-Octadecanoyl-sn-glycero-3-phosphoethanolamineLPE(18:0)ME0561749547068-2.304482.3218
Acetyl-L-carnitineCAR 2:0ME0561751C025710.424204.1229
Acylcarnitine C10:0CAR 10:0ME05617611953821C032990.568316.2474
Acylcarnitine C16:0CAR 16:0ME05617711953816C029901.568400.3461
Acylcarnitine C18:0CAR 18:0ME05617852922056-2.34428.3726
Acylcarnitine C18:1CAR 18:1ME0561796441392-1.722426.3575
Acylcarnitine C18:2CAR 18:2ME05618051000598-1.305424.3462
C14:0 acylcarnitine;CAR 14:0ME05618153477791-1.032372.3179
C14:1 acylcarnitine ;CAR 14:1ME05618222833575-0.786370.2935
C16:1 acylcarnitineCAR 16:1ME05618371464547-1.163398.3254
C8:0 acylcarnitine;CAR 8:0ME056184--0.495288.2146
CE (18:1)CE 18:1ME0561855283632C1464111.011668.6284
CE (18:2)CE 18:2ME0561865287939C1544110.529666.62
Ceramide (d18:1/23:0)Cer 18:1;O2/23:0ME05618752931115-8.098636.6273
Ceramide (d40:1)Cer 40:1;O2ME0561885283567-7.773622.6121
Ceramide (d42:1)Cer 42:1;O2ME0561895283571-8.412650.6435
Ceramide (d42:2)Cer 42:2;O2ME0561905283568-7.74648.6274
CholesterolCholesterolME0561915997C001874.908369.351
CholineCholineME056192305C001140.428104.1076
CreatineCreatineME056193586C003000.415132.0769
DG (34:1)DG 34:1ME056194--6.995617.5106
DG (36:2)DG 36:2ME056195--7.055643.5272
DG (36:3)DG 36:3ME056196--6.51641.5143
Gal-Gal-Cer(d18:1/16:0) or Lactosylceramide(d18:1/...LacCer 18:1;O2/16:0ME05619744260140-4.84862.624
GlcCer (42:1)GlcCer 42:1;O2ME056198--7.768812.6926
HydromorphoneHydromorphoneME0561995284570C070420.681286.1478
LPC (14:0)LPC 14:0ME056200460604C042300.963468.3073
LPC (15:0)LPC 15:0ME056201--1.176482.3242
LPC (16:0)LPC 16:0ME056202460602C042301.46496.3397
LPC (16:1)LPC 16:1ME05620324779461-1.074494.323
LPC (17:1)LPC 17:1ME05620442607442-1.311508.3372
LPC (18:0)LPC 18:0ME05620524779527-2.272524.3705
LPC (18:1)LPC 18:1ME05620653480465-1.626522.3549
LPC (18:2)LPC 18:2ME05620756955896-1.263520.3362
LPC (20:1)LPC 20:1ME056208--2.386550.3832
LPC (20:4)LPC 20:4ME05620953480469-1.189544.3401
LPC (20:5)LPC 20:5ME05621011757087-0.939542.3252
LPC (22:5)LPC 22:5ME056211--1.285570.3557
LPC (22:6)LPC 22:6ME05621210415542-1.134568.3401
LPC (o-16:0)LPC O-16:0ME056213162126C139031.735482.3701
LPC (p-16:0) or LPC (o-16:1)LPC P-16:0 or LPC O-16:1ME056214--1.671480.3398
LPC (p-18:0) or LPC (o-18:1)LPC P-18:0 or LPC O-18:1ME056215--1.892508.3742
lysoPC (20:3)LPC 20:3ME05621652924055-1.412546.3604
N-Tetracosenoyl-4-sphingenyl-1-O-phosphorylcholineSM 18:1;O2/24:1ME056217--6.823813.6834
PC (16:0/16:0)PC 16:0/16:0ME056218452110C001575.516734.5713
PC (16:0/9:0(CHO))-ME056219--2.374650.4344
PC (18:1/16:0)PC 16:0_18:1ME056220--5.589760.5822
PC (28:0)PC 28:0ME056221--4.273678.5021
PC (30:0)PC 30:0ME056222--4.875706.5415
PC (30:1)PC 30:1ME056223--4.345704.5238
PC (31:0)PC 31:0ME056224--5.184720.5564
PC (32:1)PC 32:1ME056225--4.95732.5545
PC (32:2)PC 32:2ME056226--4.499730.5397
PC (33:1)PC 33:1ME056227--5.272746.5696
PC (33:2)PC 33:2ME056228--4.786744.5601
PC (34:0)PC 34:0ME056229--6.188762.6015
PC (34:2)PC 34:2ME056230--5.092758.5687
PC (34:3)PC 34:3ME056231--4.658756.5539
PC (34:4)PC 34:4ME056232--4.4754.5351
PC (35:1)PC 35:1ME056233--5.926774.6011
PC (35:3)PC 35:3ME056234--4.902770.5654
PC (35:4)PC 35:4ME056235--5.385768.5805
PC (35:4)PC 35:4ME056236--4.695768.5531
PC (36:1)PC 36:1ME056237--6.231788.6141
PC (36:2)PC 36:2ME056238--5.745786.5955
PC (36:4)PC 36:4ME056239--4.982804.5524
PC (36:6) BPC 36:6ME056240--4.266778.5392
PC (37:2)PC 37:2ME056241--6.079800.6166
PC (37:5)PC 37:5ME056242--4.837794.5678
PC (37:6)PC 37:6ME056243--4.543792.554
PC (38:2)PC 38:2ME056244--6.347814.6381
PC (38:3)PC 38:3ME056245--5.915812.6103
PC (38:4)PC 38:4ME056246--5.64832.5867
PC (38:6) APC 38:6ME056247--4.853806.5682
PC (38:8)PC 38:8ME056248--4.594802.5367
PC (40:4)PC 40:4ME056249--6.101838.6294
PC (40:5)PC 40:5ME056250--5.908858.596
PC (40:5) BPC 40:5ME056251--5.676836.6116
PC (40:6) BPC 40:6ME056252--5.468834.5993
PC (40:7)PC 40:7ME056253--4.891854.5658
PC (40:8)PC 40:8ME056254--4.485830.5675
PC (42:10)PC 42:10ME056255--4.348854.5686
PC (42:5)PC 42:5ME056256--6.209864.6452
PC (o-34:0)PC O-34:0ME056257--6.618748.6135
PC (p-32:0) or PC (o-32:1)PC P-32:0 or PC O-32:1ME056258--5.826718.5692
PC (p-34:0) or PC (o-34:1)PC P-34:0 or PC O-34:1ME056259--5.985746.6034
PC (p-34:1) or PC (o-34:2) APC P-34:1 or PC O-34:2ME056260--5.537744.5847
PC (p-34:2) or PC (o-34:3)PC P-34:2 or PC O-34:3ME056261--5.378742.5719
PC (p-36:2) or PC (o-36:3)PC P-36:2 or PC O-36:3ME056262--5.486770.5992
PC (p-36:4) or PC (o-36:5)PC P-36:4 or PC O-36:5ME056263--5.259766.57
PC (p-38:2) or PC (o-38:3)PC P-38:2 or PC O-38:3ME056264--6.334798.6351
PC (p-38:3) or PC (o-38:4)PC P-38:3 or PC O-38:4ME056265--6.047796.6169
PC (p-38:4) A or PC (o-38:5) APC P-38:4 or PC O-38:5ME056266--5.431794.6017
PC (p-40:3) or PC (o-40:4)PC P-40:3 or PC O-40:4ME056267--6.71824.6507
PC (p-40:4) or PC (o-40:5)PC P-40:4 or PC O-40:5ME056268--6.058822.6341
PC (p-40:5) or PC (o-40:6)PC P-40:5 or PC O-40:6ME056269--5.791820.616
PC (p-40:6) or PC (o-40:7) APC P-40:6 or PC O-40:7ME056270--5.256818.6011
PC (p-42:3) or PC (o-42:4)PC P-42:3 or PC O-42:4ME056271--7.394852.6831
PC (p-42:4) or PC (o-42:5)PC P-42:4 or PC O-42:5ME056272--6.724850.6675
PC (p-42:5) or PC (o-42:6)PC P-42:5 or PC O-42:6ME056273--6.139848.6492
PC (p-44:4) or PC (o-44:5)PC P-44:4 or PC O-44:5ME056274--7.34878.6965
PE (36:1)PE 36:1ME056275--6.451746.5738
PE (38:6)PE 38:6ME056276--4.989764.5251
PE (p-36:4) or PE (o-36:5)PE P-36:4 or PE O-36:5ME056277--5.46724.5251
plasmenyl-PC (36:3)PC P-36:3 or PC O-36:4ME056278--5.335790.5739
plasmenyl-PE (34:2)PE P-34:2 or PE O-34:3ME056279--5.577700.5346
plasmenyl-PE (38:4)PE P-38:4 or PE O-38:5ME056280--6.137752.5571
plasmenyl-PE (38:5)PE P-38:5 or PE O-38:6ME056281--5.522750.5434
SM (33:1)SM 33:1;O2ME056282--4.479689.5576
SM (36:0)SM 36:0;O2ME056283--5.675733.6173
SM (38:2)SM 38:2;O2ME056284--5.568757.6175
SM (43:1)SM 43:1;O2ME056285--7.742829.7141
SM (d16:1/20:0)SM 16:1;O2/20:0ME05628652931165-5.463731.6047
SM (d16:1/20:1)SM 16:1;O2/20:1ME05628752931157-4.896729.5888
SM (d18:0/14:0)SM 18:0;O2/14:0ME05628844260138-4.39677.5545
SM (d18:1/12:0)SM 18:1;O2/12:0ME05628944260123-3.633647.5076
SM (d18:1/14:0)SM 18:1;O2/14:0ME05629011433862-4.18675.5412
SM (d18:1/16:0)SM 18:1;O2/16:0ME0562919939941-4.788703.5721
SM (d18:1/16:1)SM 18:1;O2/16:1ME05629252931145-4.275701.5582
SM (d18:1/21:0)SM 18:1;O2/21:0ME05629352931193-6.523773.6463
SM (d18:2/14:0)SM 18:2;O2/14:0ME05629452931131-3.724673.5235
SM (d18:2/18:1)SM 18:2;O2/18:1ME05629552931155-4.423727.5693
SM (d18:2/23:0)SM 18:2;O2/23:0ME05629652931209-6.564799.6661
SM (d18:2/24:1)SM 18:2;O2/24:1ME05629752931215-6.242811.6659
SM (d38:1)SM 38:1;O2ME056298--6.163759.6352
SM (d40:0)SM 40:0;O2ME056299--7.098789.6775
SM (d40:1)SM 40:1;O2ME056300--6.854787.6671
SM (d40:2) ASM 40:2;O2ME056301--6.258785.652
SM (d41:1)SM 41:1;O2ME056302--7.195801.6835
SM (d42:1)SM 42:1;O2ME056303--7.528815.6991
SM (d43:2) ASM(d43:2)ME056304--7.047827.6982
SM (d44:2)SM 44:2;O2ME056305--7.489841.7138
TG (42:0)TG 42:0ME056306--9.56740.6753
TG (42:1)TG 42:1ME056307--9.058738.6564
TG (44:1)TG 44:1ME056308--9.591766.6914
TG (44:2)TG 44:2ME056309--9.139764.6749
TG (46:0)TG 46:0ME056310--10.514796.74
TG (46:2)TG 46:2ME056311--9.648792.7068
TG (46:3)TG 46:3ME056312--9.203790.6879
TG (48:1)TG 48:1ME056313--10.529822.756
TG (48:3)TG 48:3ME056314--9.693818.722
TG (48:4)TG 48:4ME056315--9.284821.6579
TG (49:0)TG 49:0ME056316--11.077838.7865
TG (50:0)TG 50:0ME056317--11.311852.8004
TG (50:2)TG 50:2ME056318--10.554848.7704
TG (50:4)TG 50:4ME056319--9.776844.7374
TG (50:5)TG 50:5ME056320--9.389842.7206
TG (51:0)TG 51:0ME056321--11.48866.815
TG (51:1)TG 51:1ME056322--11.11864.8014
TG (51:2)TG 51:2ME056323--10.755862.7866
TG (52:0)TG 52:0ME056324--11.697880.8319
TG (52:1)TG 52:1ME056325--11.293878.8161
TG (52:6)TG 52:6ME056326--9.611868.7369
TG (53:1)TG 53:1ME056327--11.497892.832
TG (53:2)TG 53:2ME056328--11.131890.8158
TG (53:3)TG 53:3ME056329--10.789888.8023
TG (53:4)TG 53:4ME056330--10.449886.7857
TG (54:1)TG 54:1ME056331--11.7906.8481
TG (54:2)TG 54:2ME056332--11.345904.8316
TG (54:5)TG 54:5ME056333--10.461898.787
TG (55:1)TG 55:1ME056334--11.79920.8621
TG (55:2)TG 55:2ME056335--11.503918.846
TG (55:3)TG 55:3ME056336--11.149916.8319
TG (56:0)TG 56:0ME056337--12.012936.8949
TG (56:1)TG 56:1ME056338--11.898934.8802
TG (56:2)TG 56:2ME056339--11.694932.8646
TG (56:3)TG 56:3ME056340--11.332930.8473
TG (56:4)TG 56:4ME056341--11.055933.7889
TG (56:5)TG 56:5ME056342--10.896926.8179
TG (56:6)TG 56:6ME056343--10.471924.8016
TG (57:2)TG 57:2ME056344--11.834946.8796
TG (58:1)TG 58:1ME056345--12.012962.9114
TG (58:10)TG 58:10ME056346--9.565949.7255
TG (58:2)TG 58:2ME056347--11.895960.8941
TG (58:3)TG 58:3ME056348--11.716958.8796
TG (58:6)TG 58:6ME056349--10.849952.8322
TG (60:11)TG 60:11ME056350--9.766970.7787
TG (60:2)TG 60:2ME056351--12.013988.9289
TG (60:3)TG 60:3ME056352--11.897986.9123


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
Cer (d32:1)Cer 32:1;O2ME056353--4.996554.478
Cer (d34:0)Cer 34:0;O2ME056354--5.914584.526
Cer (d34:1)Cer 34:1;O2ME056355--5.672572.481
Cer (d34:2)Cer 34:2;O2ME056356--5.095580.494
Cer (d36:1)Cer 36:1;O2ME056357--6.384610.541
Cer (d38:1)Cer 38:1;O2ME056358--7.093628.544
Cer (d39:1)Cer 39:1;O2ME056359--7.446652.588
Cer (d40:1)Cer 40:1;O2ME056360--7.772656.575
Cer (d40:2)Cer 40:2;O2ME056361--7.185664.588
Cer (d41:1)Cer 41:1;O2ME056362--8.093670.592
Cer (d42:2)Cer 42:2;O2ME056363--7.738692.619
FA (16:1)Palmitoleic acidME056364445638C083622.578253.217
FA (18:1)Oleic acidME056365--3.239281.249
FA (18:2)Octadecadienoic acidME056366--2.821279.233
FA (20:4)Eicosatetraenoic acidME056367--2.713303.233
GlcCer (d34:1)GlcCer 34:1;O2ME056368--5.068744.562
GlcCer (d38:1)GlcCer 38:1;O2ME056369--6.425800.625
GlcCer (d40:1)GlcCer 40:1;O2ME056370--7.106828.657
GlcCer (d41:1)GlcCer 41:1;O2ME056371--7.439842.672
GlcCer (d42:1)GlcCer 42:1;O2ME056372--7.761856.688
GlcCer (d42:2)GlcCer 42:2;O2ME056373--7.078854.672
LPC (14:0)LPC 14:0ME056374460604C042300.966512.299
LPC (16:0)LPC 16:0ME056375460602C042301.458540.331
LPC (16:1)LPC 16:1ME05637624779461-1.066538.315
LPC (18:1)LPC 18:1ME05637753480465-1.61566.346
LPC (18:2)LPC 18:2ME05637856955896-1.206564.331
LPC (20:3)LPC 20:3ME05637953480467-1.399590.346
LPE (16:0)LPE 16:0ME0563809547069-1.501452.278
LPE (18:2)LPE 18:2ME05638152925130-1.238476.278
LPE (20:4)LPE 20:4ME056382--1.206500.278
LPE (22:6)LPE 22:6ME05638352925132-1.154524.278
PC (30:0)PC 30:0ME056384--4.871750.53
PC (32:0)PC 32:0ME056385--5.512778.561
PC (32:1)PC 32:1ME056386--4.952776.545
PC (32:2)PC 32:2ME056387--4.484774.529
PC (33:1)PC 33:1ME056388--5.265790.56
PC (33:2)PC 33:2ME056389--4.781788.544
PC (34:0)PC 34:0ME056390--6.186806.598
PC (34:1)PC 34:1ME056391--5.584804.576
PC (34:2)PC 34:2ME056392--5.088802.56
PC (34:4)PC 34:4ME056393--4.401798.529
PC (35:2)PC 35:2ME056394--5.409816.575
PC (36:1)PC 36:1ME056395--6.259832.608
PC (36:2)PC 36:2ME056396--5.742830.592
PC (36:3)PC 36:3ME056397--5.255828.575
PC (36:4) APC 36:4ME056398--4.69826.559
PC (36:4) BPC 36:4ME056399--4.993826.56
PC (36:5)PC 36:5ME056400--4.305824.544
PC (36:5)PC 36:5ME056401--4.598824.544
PC (37:4)PC 37:4ME056402--6.038840.612
PC (38:2)PC 38:2ME056403--6.344858.626
PC (38:3)PC 38:3ME056404--5.917856.606
PC (38:4)PC 38:4ME056405--5.416854.589
PC (38:4)PC 38:4ME056406--5.636854.591
PC (38:5)PC 38:5ME056407--5.041852.575
PC (38:6)PC 38:6ME056408--4.602850.56
PC (40:4)PC 40:4ME056409--6.114882.622
PC (40:5)PC 40:5ME056410--5.668880.606
PC (40:6)PC 40:6ME056411--5.462878.591
PC (40:8)PC 40:8ME056412--4.476874.56
PE (34:1) BPE(34:1)ME056413--5.768716.523
PE (34:2) BPE(34:2)ME056414--5.259714.507
PE (36:2) APE(36:2)ME056415--5.09742.539
PE (36:2) BPE(36:2)ME056416--5.921742.539
PE (36:3) BPE(36:3)ME056417--5.334740.523
PE (36:4) BPE(36:4)ME056418--5.158738.507
PE (38:1) APE(38:1)ME056419--5.914818.591
PE (38:4) BPE(38:4)ME056420--5.819766.54
PE 38:5PE 38:5ME056424--5.204764.532
PE (38:6) BPE(38:6)ME056421--4.992762.509
PE (40:4) APE(40:4)ME056422--5.312840.577
PE (44:3) APE(44:3)ME056423--6.505852.657
PI (32:1)PI 32:1ME056425--4.361807.503
PI (34:1)PI 34:1ME056426--4.938835.534
PI (34:2)PI 34:2ME056427--4.486833.519
PI (36:1)PI 36:1ME056428--5.543863.563
PI (36:2)PI 36:2ME056429--5.075861.548
PI (36:3)PI 36:3ME056430--4.612859.533
PI (36:4)PI 36:4ME056431--4.413857.518
PI (38:3)PI 38:3ME056432--5.235887.563
PI (38:4)PI 38:4ME056433--4.989885.55
PI (38:5)PI 38:5ME056434--4.473883.533
PI (40:6)PI 40:6ME056435--4.841909.549
plasmenyl-PC (32:0)PC P-32:0 or PC O-32:1ME056436--5.824762.564
plasmenyl-PC (34:0)PC P-34:0 or PC O-34:1ME056437--5.984790.597
plasmenyl-PC (34:1)PC P-34:1 or PC O-34:2ME056438--5.478788.579
plasmenyl-PC (34:2)PC P-34:2 or PC O-34:3ME056439--5.375786.565
plasmenyl-PC (36:0)PC P-36:0 or PC O-36:1ME056440--7.106818.628
plasmenyl-PC (36:1)PC P-36:1 or PC O-36:2ME056441--6.135816.613
plasmenyl-PC (36:3)PC P-36:3 or PC O-36:4ME056442--5.372812.58
plasmenyl-PC (36:4)PC P-36:4 or PC O-36:5ME056443--5.256810.565
plasmenyl-PC (38:0)PC P-38:0 or PC O-38:1ME056444--7.761846.66
plasmenyl-PC (38:4)PC P-38:4 or PC O-38:5ME056445--5.417838.596
plasmenyl-PC (38:5)PC P-38:5 or PC O-38:6ME056446--5.304836.581
plasmenyl-PC (40:4)PC P-40:4 or PC O-40:5ME056447--6.053866.627
plasmenyl-PC (42:4)PC P-42:4 or PC O-42:5ME056448--6.703894.659
plasmenyl-PE (34:1)PE P-34:1 or PE O-34:2ME056449--6.106700.521
plasmenyl-PE (34:2)PE P-34:2 or PE O-34:3ME056450--5.581698.512
plasmenyl-PE (36:1)PE P-36:1 or PE O-36:2ME056451--6.789728.56
plasmenyl-PE (36:2)PE P-36:2 or PE O-36:3ME056452--6.253726.544
plasmenyl-PE (36:4)PE P-36:4 or PE O-36:5ME056453--5.455722.513
plasmenyl-PE (36:5)PE P-36:5 or PE O-36:6ME056454--5.013720.496
plasmenyl-PE (38:3)PE P-38:3 or PE O-38:4ME056455--6.307752.558
plasmenyl-PE (38:4)PE P-38:4 or PE O-38:5ME056456--6.127750.543
plasmenyl-PE (38:5)PE P-38:5 or PE O-38:6ME056457--5.515748.529
plasmenyl-PE (38:6)PE P-38:6 or PE O-38:7ME056458--5.268746.511
plasmenyl-PE (40:4)PE P-40:4 or PE O-40:5ME056459--6.813778.575
plasmenyl-PE (40:5)PE P-40:5 or PE O-40:6ME056460--6.151776.561
plasmenyl-PE (40:6)PE P-40:6 or PE O-40:7ME056461--5.931774.544
plasmenyl-PE (40:7)PE P-40:7 or PE O-40:8ME056462--5.336772.526
PS (p34:0)PS P-34:0 or PS O-34:1ME056463--5.091792.532
SM (d32:1)SM 32:1;O2ME056464--4.177719.534
SM (d32:2)SM 32:2;O2ME056465--3.725717.517
SM (d33:1)SM 33:1;O2ME056466--4.475733.549
SM (d34:0)SM 34:0;O2ME056467--5.026749.58
SM (d34:1)SM 34:1;O2ME056468--4.784747.564
SM (d34:2)SM 34:2;O2ME056469--4.276745.55
SM (d36:0)SM 36:0;O2ME056470--5.702777.61
SM (d36:1)SM 36:1;O2ME056471--5.457775.596
SM (d36:2)SM 36:2;O2ME056472--4.919773.58
SM (d38:1)SM 38:1;O2ME056473--6.159803.627
SM (d38:2)SM 38:2;O2ME056474--5.559801.612
SM (d40:0)SM 40:0;O2ME056475--7.097833.673
SM (d40:1)SM 40:1;O2ME056476--6.853831.659
SM (d40:2)SM 40:2;O2ME056477--6.238829.643
SM (d40:3)SM 40:3;O2ME056478--5.579827.623
SM (d41:1)SM 41:1;O2ME056479--7.194845.673
SM (d41:2)SM 41:2;O2ME056480--6.561843.659
SM (d42:1)SM 42:1;O2ME056481--7.52859.69
SM (d42:2)SM 42:2;O2ME056482--6.815857.675
SM (d42:3)SM 42:3;O2ME056483--6.234855.659
SM (d43:2)SM 43:2;O2ME056484--7.041871.688


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