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Analysis: RP POSITIVE ION MODE

SelectMetabolite Name RefMet Name/Standardized Name* WorkBench
Metabolite_ID
PubChem
Compound_ID
Kegg Id Retention
time/index
m/z ratio
1_CE (22:1) iSTD-ME121144--11.81729.6531
1_Ceramide C17 iSTD-ME121147--6.03552.5349
1_Cholesterol d7 iSTD-ME121148--4.86376.3946
1_CUDA (pos) iSTD-ME121149--0.85341.2796
1_DG (12:0/12:0/0:0) iSTD-ME121151--4.28479.3705
1_DG (18:1/2:0/0:0) iSTD-ME121153--3.17421.2924
1_LPC (17:0) iSTD-ME121154--1.87510.3554
1_LPE (17:1) iSTD-ME121155--1.4466.2979
1_MG (17:0/0:0/0:0) iSTD-ME121158--3.05345.2994
1_PC (25:0) iSTD-ME121159--3.51636.4595
1_PE (17:0/17:0) iSTD-ME121160--6.35720.5533
1_SM (d35:1) iSTD-ME121161--5.11717.5901
1_Sphingosine (d17:1) iSTD-ME121162--1.14286.2737
1_TG (17:0/17:1/17:0)-d5 iSTD-ME121164--11.12869.8238
Acylcarnitine C16:0CAR 16:0ME121165-C029901.65400.342
Acylcarnitine C18:0CAR 18:0ME121166--2.4428.373
Acylcarnitine C18:1CAR 18:1ME121167--1.8426.358
Acylcarnitine C18:2CAR 18:2ME121168--1.39424.3421
Ceramide (d42:1)Cer 42:1;O2ME121169--8.21650.6415
Ceramide (d42:2)Cer 42:2;O2ME121170--7.585630.6142
CholesterolCholesterolME121171-C001874.88369.3512
Gal-Gal-Cer(d18:1/16:0) or Lactosylceramide(d18:1/...LacCer 18:1;O2/16:0ME121172--4.84862.6213
LPC (14:0)LPC 14:0ME121173-C042301.05468.3085
LPC (15:0)LPC 15:0ME121174--1.26482.3232
LPC (16:0)LPC 16:0ME121175-C042301.53496.3401
LPC (16:1)LPC 16:1ME121176--1.15494.3238
LPC (17:1)LPC 17:1ME121177--1.38508.3389
LPC (18:0)LPC 18:0ME121178--2.28524.3708
LPC (18:1)LPC 18:1ME121179--1.69522.3553
LPC (18:2)LPC 18:2ME121180--1.285520.3397
LPC (18:3)LPC 18:3ME121181--1.04518.3236
LPC (20:0)LPC 20:0ME121182--3.06552.4021
LPC (20:1)LPC 20:1ME121183--2.4550.3871
LPC (20:2)LPC 20:2ME121184--1.84548.3704
LPC (20:3)LPC 20:3ME121185--1.49546.3551
LPC (20:4)LPC 20:4ME121186--1.22544.3392
LPC (22:4)LPC 22:4ME121187--1.71572.3699
LPC (22:6)LPC 22:6ME121188--1.21568.3396
LPC (o-16:0)LPC O-16:0ME121189-C139031.79482.3608
LPC (p-16:0) or LPC (o-16:1)LPC P-16:0 or LPC O-16:1ME121190--1.735480.3426
LPC (p-18:0) or LPC (o-18:1)LPC P-18:0 or LPC O-18:1ME121191--1.94508.3752
PC (28:0)PC 28:0ME121192--4.26678.5062
PC (30:0)PC 30:0ME121193--4.855706.5391
PC (30:1)PC 30:1ME121194--4.35704.5255
PC (31:0)PC 31:0ME121195--5.16720.5539
PC (32:0)PC 32:0ME121196--5.485734.5693
PC (32:1)PC 32:1ME121197--4.925754.5386
PC (32:2)PC 32:2ME121198--4.465730.5378
PC (33:1)PC 33:1ME121199--5.25746.5681
PC (33:2)PC 33:2ME121200--4.76744.5529
PC (34:2)PC 34:2ME121201--5.08780.5518
PC (34:3)PC 34:3ME121202--4.57756.5535
PC (34:4)PC 34:4ME121203--4.39754.5379
PC (35:2)PC 35:2ME121204--5.38772.5853
PC (35:3)PC 35:3ME121205--4.85770.5679
PC (35:4)PC 35:4ME121206--4.67768.5533
PC (36:2)PC 36:2ME121207--5.71808.5831
PC (36:3) BPC 36:3ME121209--5.14806.568
PC (36:4) APC 36:4ME121210--4.67782.569
PC (36:5) APC 36:5ME121211--4.29780.5531
PC (36:5) BPC 36:5ME121212--4.58780.5537
PC (36:6)PC 36:6ME121213--4.25778.5373
PC (37:2)PC 37:2ME121214--5.93800.6091
PC (37:3)PC 37:3ME121215--5.43798.5994
PC (37:4)PC 37:4ME121217--5.29796.5833
PC (37:6)PC 37:6ME121218--4.52792.5563
PC (38:5) APC 38:5ME121219--5.03808.5851
PC (38:5) BPC 38:5ME121220--5.205830.5659
PC (38:6) APC 38:6ME121221--4.82806.569
PC (38:7)PC 38:7ME121222--4.33804.553
PC (40:5) APC 40:5ME121223--5.645836.6162
PC (40:6) APC 40:6ME121224--5.13834.5998
PC (40:6) BPC 40:6ME121225--5.435856.5817
PC (40:7)PC 40:7ME121226--4.875832.5848
PC (40:8)PC 40:8ME121227--4.44830.5701
PC (42:5)PC 42:5ME121228--6.11864.6464
PC (42:6)PC 42:6ME121230--5.83862.632
PC (o-32:0)PC O-32:0ME121231--5.895720.5902
PC (p-32:0) or PC (o-32:1)PC P-32:0 or PC O-32:1ME121232--5.78740.5527
PC (p-34:1) or PC (o-34:2) APC P-34:1 or PC O-34:2ME121233--5.45744.5894
PC (p-34:2) or PC (o-34:3)PC P-34:2 or PC O-34:3ME121234--5.35764.5565
PC (p-36:3) or PC (o-36:4)PC P-36:3 or PC O-36:4ME121235--5.34790.5714
PC (p-36:4) or PC (o-36:5)PC P-36:4 or PC O-36:5ME121236--5.23788.5552
PC (p-38:4) or PC (o-38:5) APC P-38:4 or PC O-38:5ME121237--5.39816.5875
PC (p-38:4) or PC (o-38:5) BPC P-38:4 or PC O-38:5ME121238--5.895816.5928
PC (p-38:5) or PC (o-38:6)PC P-38:5 or PC O-38:6ME121240--5.165814.5708
PC (p-40:5) or PC (o-40:6)PC P-40:5 or PC O-40:6ME121241--5.8842.6006
PC (p-40:6) or PC (o-40:7) APC P-40:6 or PC O-40:7ME121242--5.21818.6034
PE (38:6)PE 38:6ME121243--4.97764.5226
PE (p-36:4) or PE (o-36:5)PE P-36:4 or PE O-36:5ME121244--5.43724.5274
SM (d32:1)SM 32:1;O2ME121245--4.17675.5419
SM (d32:2)SM 32:2;O2ME121246--3.73673.5262
SM (d33:1)SM 33:1;O2ME121247--4.455689.5587
SM (d34:0)SM 34:0;O2ME121248--5.01705.5907
SM (d34:1)SM 34:1;O2ME121249--4.77725.556
SM (d34:2)SM 34:2;O2ME121250--4.275723.5398
SM (d36:0)SM 36:0;O2ME121251--5.66733.6118
SM (d36:1)SM 36:1;O2ME121252--5.425753.5874
SM (d36:2)SM 36:2;O2ME121253--4.875729.59
SM (d38:1)SM 38:1;O2ME121254--6.125759.6377
SM (d38:2)SM 38:2;O2ME121255--5.54757.6194
SM (d39:1)SM 39:1;O2ME121256--6.47773.6389
SM (d40:2) BSM 40:2;O2ME121257--6.23785.6525
SM (d41:2)SM 41:2;O2ME121258--6.445799.6669
SM (d42:2) BSM 42:2;O2ME121259--6.78813.6838
SM (d42:3)SM 42:3;O2ME121260--6.21811.6624
TG (46:0)TG 46:0ME121261--10.38796.7348
TG (46:3)TG 46:3ME121262--9.135790.6899
TG (52:5)TG 52:5ME121263--9.77875.7104
TG (52:6)TG 52:6ME121264--9.4868.7391
TG (54:6)TG 54:6ME121265--10.075901.7255
TG (56:1)TG 56:1ME121266--11.91934.8795
TG (56:4)TG 56:4ME121267--11.04933.7886
TG (56:6)TG 56:6ME121268--10.29929.7552
TG (56:7)TG 56:7ME121269--9.915922.7825
TG (56:8)TG 56:8ME121270--9.7920.7707
TG (58:1)TG 58:1ME121271--12.03962.9105
TG (60:2)TG 60:2ME121272--12.035993.8822


Analysis: RP NEGATIVE ION MODE

SelectMetabolite Name RefMet Name/Standardized Name* WorkBench
Metabolite_ID
PubChem
Compound_ID
Kegg Id Retention
time/index
m/z ratio
1_iSTD Ceramide (d18:1/17:0)-ME121274--6.01610.5419
1_iSTD CUDA-ME121275--0.76339.2651
1_iSTD FA (16:0)-d3-ME121276--2.35258.2519
1_iSTD LPC (17:0)-ME121277--1.83568.3622
1_iSTD LPE (17:1)-ME121278--1.35464.2784
1_iSTD MAG (17:0/0:0/0:0)-ME121279--3.02403.3068
1_iSTD PE (17:0/17:0)-ME121280--6.30718.5394
1_iSTD PG (17:0/17:0)-ME121281--5.13749.5350
1_iSTD SM (d18:1/17:0)-ME121282--5.09775.5938
Ceramide (d33:1)Cer 33:1;O2ME121283--5.3558.4657
Ceramide (d34:0)Cer 34:0;O2ME121284--5.9574.4948
Ceramide (d34:1)Cer 34:1;O2ME121285--5.65572.4819
Ceramide (d34:2)Cer 34:2;O2ME121286--5.065594.5099
Ceramide (d36:1)Cer 36:1;O2ME121287--6.355600.5129
Ceramide (d38:1)Cer 38:1;O2ME121288--7.065652.5887
Ceramide (d39:1)Cer 39:1;O2ME121289--7.415666.6046
Ceramide (d40:0)Cer 40:0;O2ME121290--7.955682.6054
Ceramide (d40:1)Cer 40:1;O2ME121291--7.755680.6195
Ceramide (d41:1)Cer 41:1;O2ME121292--8.08670.5907
Ceramide (d42:0)Cer 42:0;O2ME121293--8.6710.665
Ceramide (d42:1)Cer 42:1;O2ME121294--8.395708.6517
Ceramide (d42:2) BCer 42:2;O2ME121296--7.85682.5936
Ceramide (d44:1)Cer 44:1;O2ME121297--8.985712.6381
FA (16:1)Palmitoleic acidME121298-C083621.74253.2175
FA (17:1)Heptadecenoic acidME121299--2.12267.2333
FA (18:1)Oleic acidME121300-C007122.57281.249
FA (18:2)Octadecadienoic acidME121301-C015951.96279.2334
FA (18:3)Octadecatrienoic acidME121302-C064261.54277.2175
FA (20:1)Eicosenoic acidME121303-C165263.24309.28
FA (20:2)Eicosadienoic acidME121304-C165252.78307.2648
FA (20:3)Eicosatrienoic acidME121305-C032422.24305.2493
FA (20:4)Eicosatetraenoic acidME121306-C002191.84303.2334
FA (20:5)Eicosapentaenoic acidME121307-C064281.45301.2178
FA (22:0)Behenic acidME121308-C082814.38339.3267
FA (22:1)Docosenoic acidME121309--3.78337.311
FA (22:2)Docosadienoic acidME121310--3.35335.2953
FA (22:6)Docosahexaenoic acidME121311-C064291.64327.2335
FA (24:0)Lignoceric acidME121312-C083205.11367.3575
FA (24:1)Tetracosenoic acidME121313--4.39365.342
FA (26:0)Cerotic acidME121314--5.89395.3892
GlcCer(d14:1(4E)/20:0(2OH))GlcCer 14:1;O2(4E)/20:0;OME121320--4.853333333774.5664
GlcCer (d38:1)GlcCer 38:1;O2ME121315--6.4790.5972
GlcCer (d40:1)GlcCer 40:1;O2ME121316--7.08818.6283
GlcCer (d41:1)GlcCer 41:1;O2ME121317--7.42832.6453
GlcCer (d42:1)GlcCer 42:1;O2ME121318--7.74846.6597
GlcCer (d42:2)GlcCer 42:2;O2ME121319--7.04844.6466
LPC (16:0)LPC 16:0ME121321-C042301.69538.3518
LPC (16:1)LPC 16:1ME121322--1.13552.3317
LPC (18:0) ALPC 18:0ME121323--2.05582.3772
LPC (18:1)LPC 18:1ME121324--1.64566.3468
LPC (18:2)LPC 18:2ME121325--1.25578.3462
LPC (20:1)LPC 20:1ME121326--2.36608.3941
LPC (20:2)LPC 20:2ME121327--1.79606.3763
LPE (16:0)LPE 16:0ME121328--1.52452.279
LPE (18:0)LPE 18:0ME121329--2.27480.3101
LPE (18:1)LPE 18:1ME121330--1.67478.295
LPE (18:2)LPE 18:2ME121331--1.26476.2782
LPE (20:4)LPE 20:4ME121332--1.17500.279
LPE (22:0)LPE 22:0ME121333--3.57536.372
PC (32:0)PC 32:0ME121334--5.48792.5761
PC (32:1)PC 32:1ME121335--4.92790.5601
PC (32:2)PC 32:2ME121336--4.45788.5437
PC (34:0)PC 34:0ME121337--6.15820.611
PC (34:3)PC 34:3ME121338--4.54814.5593
PC (34:4)PC 34:4ME121339--4.37812.5427
PC (35:1)PC 35:1ME121340--5.89832.5938
PC (35:2)PC 35:2ME121341--5.39830.5901
PC (35:4)PC 35:4ME121342--4.66826.5614
PC (36:1)PC 36:1ME121343--6.23846.6243
PC (36:2)PC 36:2ME121344--5.71844.6078
PC (36:3)PC 36:3ME121346--5.13842.5916
PC (36:4)PC 36:4ME121347--4.97840.5771
PC (36:5)PC 36:5ME121349--4.28838.5598
PC (37:4)PC 37:4ME121350--5.29854.5873
PC (38:3)PC 38:3ME121351--5.89870.618
PC (38:4)PC 38:4ME121352--5.61868.6077
PC (38:5)PC 38:5ME121354--5.02866.5898
PC (38:6)PC 38:6ME121355--4.82864.5753
PC (40:4)PC 40:4ME121356--6.08896.6371
PC (40:5)PC 40:5ME121357--5.63894.623
PC (40:6)PC 40:6ME121358--5.43892.608
PC (40:7)PC 40:7ME121359--4.86890.5895
PC (40:8)PC 40:8ME121360--4.42888.5748
PC (o-32:0)PC O-32:0ME121361--5.89778.5795
PC (p-32:0) or PC (o-32:1)PC P-32:0 or PC O-32:1ME121362--5.79776.5776
PC (p-34:0) or PC (o-34:1)PC P-34:0 or PC O-34:1ME121363--5.96804.6113
PC (p-34:1) or PC (o-34:2)PC P-34:1 or PC O-34:2ME121365--5.44802.597
PC (p-34:2) or PC (o-34:3)PC P-34:2 or PC O-34:3ME121366--5.34800.5819
PC (p-36:3) or PC (o-36:4)PC P-36:3 or PC O-36:4ME121367--5.33826.5964
PC (p-36:4) or PC (o-36:5)PC P-36:4 or PC O-36:5ME121368--5.225824.5815
PC (p-38:4) or PC (o-38:5)PC P-38:4 or PC O-38:5ME121369--5.38852.611
PC (p-38:5) or PC (o-38:6)PC P-38:5 or PC O-38:6ME121370--5.15850.595
PE (34:2)PE 34:2ME121371--5.2714.5083
PE (36:1)PE 36:1ME121372--5.56744.5546
PE (36:3)PE 36:3ME121373--5.28740.5235
PE (36:4)PE 36:4ME121374--5.08738.5089
PE (38:4)PE 38:4ME121376--5.74766.5398
PE (p-34:1) or PE (o-34:2)PE P-34:1 or PE O-34:2ME121377--6.03700.5294
PE (p-34:2) or PE (o-34:3)PE P-34:2 or PE O-34:3ME121378--5.51698.5137
PE (p-36:1) or PE (o-36:2)PE P-36:1 or PE O-36:2ME121379--6.7728.5612
PE (p-36:4) or PE (o-36:5)PE P-36:4 or PE O-36:5ME121380--5.38722.5132
PE (p-36:5) or PE (o-36:6)PE P-36:5 or PE O-36:6ME121381--4.96720.4984
PE (p-38:3) or PE (o-38:4)PE P-38:3 or PE O-38:4ME121382--6.34752.559
PE (p-38:4) or PE (o-38:5)PE P-38:4 or PE O-38:5ME121383--6.06750.5448
PE (p-38:5) or PE (o-38:6)PE P-38:5 or PE O-38:6ME121384--5.43748.5292
PE (p-38:6) or PE (o-38:7)PE P-38:6 or PE O-38:7ME121385--5.22746.514
PE (p-40:4) or PE (o-40:5) APE P-40:4 or PE O-40:5ME121386--6.53778.5765
PE (p-40:4) or PE (o-40:5) BPE P-40:4 or PE O-40:5ME121387--6.73778.5766
PE (p-40:5) or PE (o-40:6)PE P-40:5 or PE O-40:6ME121388--6.08776.5607
PE (p-40:7) or PE (o-40:8)PE P-40:7 or PE O-40:8ME121389--5.26772.5289
SM (d32:1)SM 32:1;O2ME121390--4.15733.5489
SM (d33:1)SM 33:1;O2ME121391--4.45747.5637
SM (d34:0)SM 34:0;O2ME121392--5763.5872
SM (d34:1)SM 34:1;O2ME121393--4.76761.582
SM (d34:2)SM 34:2;O2ME121394--4.25759.566
SM (d36:1)SM 36:1;O2ME121395--5.43789.6085
SM (d36:2)SM 36:2;O2ME121396--4.86787.5909
SM (d38:1)SM 38:1;O2ME121397--6.13817.6436
SM (d38:2)SM 38:2;O2ME121398--5.53815.6256
SM (d39:1)SM 39:1;O2ME121399--6.49831.6436
SM (d40:2)SM 40:2;O2ME121400--6.23843.6589
SM (d41:1)SM 41:1;O2ME121401--7.16859.6896
SM (d41:2)SM 41:2;O2ME121402--6.58857.6663
SM (d42:2)SM 42:2;O2ME121403--6.79871.692
SM (d42:3)SM 42:3;O2ME121404--6.21869.6752


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