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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
CE (22:1) [M+NH4]+ iSTDCE 22:1ME264248---724.6974_729.6529
Ceramide C17 [M+H-H2O]+ iSTD-ME264249---552.5358_574.5170 _534.5244
Cholesterol d7 [M-H2O+H]+ iSTD-ME264250---376.3954
CUDA (pos) [M+H]+ iSTD-ME264251---341.2802
DG (12:0/12:0/0:0) [M+NH4]+ iSTDDG 12:0/12:0/0:0ME264252---474.4154_479.3752
DG (18:1/2:0/0:0) [M+NH4]+ iSTDDG 18:1/2:0/0:0ME264253---416.3374_421.2931
LPC (17:0) [M+H]+ iSTDLPC 17:0ME264254---510.3557
LPE (17:1) [M+H]+ iSTDLPE 17:1ME264255---466.2935
MG (17:0/0:0/0:0) [M+Na]+ iSTDMG 17:0/0:0/0:0ME264256---367.2817_362.3261_345.3
PC (25:0) [M+H]+ iSTDPC 25:0ME264257---636.461
PE (17:0/17:0) [M+H]+ iSTDPE 17:0/17:0ME264258---720.5539
SM (d35:1) [M+H]+ iSTDSM 35:1;O2ME264259---717.5888
Sphingosine (d17:1) [M+H]+ iSTD-ME264260---286.2743
TG (17:0/17:1/17:0) d5 [M+Na]+ iSTD-ME264261---874.7874_869.828
Acylcarnitine (16:0) [M+H]+CAR 16:0ME264262---400.3427
Acylcarnitine (18:0) [M+H]+CAR 18:0ME264263---428.3736
Acylcarnitine (18:1) [M+H]+CAR 18:1ME264264---426.3577
Acylcarnitine (20:1) [M]+CAR 20:1ME264265---454.3893
Acylcarnitine (20:5) [M]+CAR 20:5ME264266---446.3267
Acylcarnitine (22:6) [M]+CAR 22:6ME264267---472.3423
CE (20:5) [M+Na]+CE 20:5ME264268---693.5577
CE (22:6) [M+NH4]+CE 22:6ME264269----
Cholesterol [M-H2O+H]+CholesterolME264270---369.3521
DG (38:5) [M+Na]+DG 38:5ME264271----
DG (38:6) [M+Na]+DG 38:6ME264272----
Gal-Gal-Cer(d18:1/16:0) or Lactosylceramide(d18:1/...LacCer 18:1;O2/16:0ME264273---884.6051
LPC (16:0) [M+H]+LPC 16:0ME264274---496.3403
LPC (16:1) [M+H]+LPC 16:1ME264275---494.3245
LPC (18:0) [M+H]+LPC 18:0ME264276---524.3712
LPC (18:1) [M+H]+LPC 18:1ME264277---522.3558
LPC (20:1) [M+H]+LPC 20:1ME264278---550.385
LPC (20:4) [M+H]+LPC 20:4ME264279---544.3401
LPC (20:5) [M+H]+LPC 20:5ME264280---542.3243
LPC (22:5) [M+H]+LPC 22:5ME264281---570.3554
LPC (22:6) [M+H]+LPC 22:6ME264282---568.3401
LPC (o-16:0) [M+H]+LPC O-16:0ME264283---482.3611
LPC (p-16:0) or LPC (o-16:1) [M+H]+LPC P-16:0 or LPC O-16:1ME264284---480.3441
PC (28:0) [M+H]+PC 28:0ME264285---678.5109
PC (30:0) [M+H]+PC 30:0ME264286----
PC (30:1) [M+H]+PC 30:1ME264287---704.5224
PC (31:0) [M+H]+PC 31:0ME264288---720.5579
PC (32:0) [M+H]+PC 32:0ME264289---734.5719
PC (32:1) [M+H]+PC 32:1ME264290---732.5557
PC (32:2) [M+H]+PC 32:2ME264291---730.5389
PC (33:0) [M+H]+PC 33:0ME264292---748.5841
PC (33:1) [M+H]+PC 33:1ME264293----
PC (33:2) [M+H]+PC 33:2ME264294---744.5522
PC (34:0) [M+H]+PC 34:0ME264295---762.6015
PC (34:1) [M+H]+PC 34:1ME264296---760.5875
PC (34:2) [M+H]+PC 34:2ME264297---758.5704
PC (34:3) [M+H]+PC 34:3ME264298---756.5539
PC (34:4) [M+H]+PC 34:4ME264299---754.538
PC (35:1) [M+H]+PC 35:1ME264300----
PC (35:2) [M+H]+PC 35:2ME264301---772.5799
PC (35:3) [M+H]+PC 35:3ME264302---770.5693
PC (36:1) [M+H]+PC 36:1ME264303---788.6171
PC (36:2) [M+H]+PC 36:2ME264304----
PC (36:2); PC(18:1/18:1); [M+H]+PC 18:1/18:1ME264305---786.6013
PC (36:3) B [M+H]+PC 36:3ME264306---784.5839
PC (36:4) A [M+H]+PC 36:4ME264307---782.5701
PC (36:4) B [M+H]+PC 36:4ME264308----
PC (36:4) C [M+H]+PC 36:4ME264309---782.5685
PC (36:5) A [M+H]+PC 36:5ME264310---780.552
PC (36:5) B [M+H]+PC 36:5ME264311----
PC (36:6) [M+H]+PC 36:6ME264312----
PC (37:2) [M+H]+PC 37:2ME264313---800.6172
PC (37:4) [M+H]+PC 37:4ME264314---796.5828
PC (37:6) [M+H]+PC 37:6ME264315---792.5558
PC (38:2) [M+H]+PC 38:2ME264316---814.6316
PC (38:3) [M+H]+PC 38:3ME264317---812.6178
PC (38:4) A [M+H]+PC 38:4ME264318----
PC (38:4) B [M+H]+PC 38:4ME264319---810.5981
PC (38:5) A [M+H]+PC 38:5ME264320---808.5848
PC (38:5) B [M+H]+PC 38:5ME264321----
PC (38:6) A [M+H]+PC 38:6ME264322----
PC (38:6) B [M+H]+PC 38:6ME264323---806.5707
PC (38:6) C [M+H]+PC 38:6ME264324----
PC (38:7) [M+H]+PC 38:7ME264325----
PC (39:6) [M+H]+PC 39:6ME264326----
PC (40:5) A [M+H]+PC 40:5ME264327----
PC (40:5) B [M+H]+PC 40:5ME264328---836.6148
PC (40:6) A [M+H]+PC 40:6ME264329----
PC (40:6) B [M+H]+PC 40:6ME264330---834.6012
PC (40:7) [M+H]+PC 40:7ME264331----
PC (40:8) [M+H]+PC 40:8ME264332---830.5698
PC (42:6) [M+H]+PC 42:6ME264333---862.6298
PC (o-32:0) [M+H]+PC O-32:0ME264334---720.5896
PC (p-32:0) or PC (o-32:1) [M+H]+PC P-32:0 or PC O-32:1ME264335---718.5727
PC (p-32:1) or PC (o-32:2) [M+H]+PC P-32:1 or PC O-32:2ME264336---716.5587
PC (p-34:0) or PC (o-34:1) [M+H]+PC P-34:0 or PC O-34:1ME264337---746.6056
PC (p-34:1) or PC (o-34:2) A [M+H]+PC P-34:1 or PC O-34:2ME264338---744.59
PC (p-34:1) or PC (o-34:2) B [M+H]+PC P-34:1 or PC O-34:2ME264339---744.5801
PC (p-34:2) or PC (o-34:3) [M+H]+PC P-34:2 or PC O-34:3ME264340---742.5668
PC (p-36:2) or PC (o-36:3) [M+H]+PC P-36:2 or PC O-36:3ME264341---770.605
PC (p-36:3) or PC (o-36:4) [M+H]+PC P-36:3 or PC O-36:4ME264342----
PC (p-36:4) or PC (o-36:5) [M+H]+PC P-36:4 or PC O-36:5ME264343---766.5746
PC (p-38:3) or PC (o-38:4) [M+H]+PC P-38:3 or PC O-38:4ME264344---796.6117
PC (p-38:4) or PC (o-38:5) A [M+H]+PC P-38:4 or PC O-38:5ME264345----
PC (p-38:5) or PC (o-38:6) [M+H]+PC P-38:5 or PC O-38:6ME264346----
PC (p-40:4) or PC (o-40:5) [M+H]+PC P-40:4 or PC O-40:5ME264347---822.6346
PC (p-40:5) or PC (o-40:6) [M+H]+PC P-40:5 or PC O-40:6ME264348---820.621
PC (p-40:6) or PC (o-40:7) B [M+H]+PC P-40:6 or PC O-40:7ME264349---818.6049
PE (36:1) [M+H]+PE 36:1ME264350---746.5721
PE (38:4) [M+H]+PE 38:4ME264351---768.5575
PE (38:6) [M+H]+PE 38:6ME264352---764.525
PE (p-36:4) or PE (o-36:5) [M+H]+PE P-36:4 or PE O-36:5ME264353---724.5279
PE (p-38:5) or PE (o-38:6) [M+H]+PE P-38:5 or PE O-38:6ME264354---750.5433
SM (d32:0) [M+H]+SM 32:0;O2ME264355---677.5582
SM (d32:1) [M+H]+SM 32:1;O2ME264356----
SM (d33:1) [M+H]+SM 33:1;O2ME264357---689.5582
SM (d34:0) [M+H]+SM 34:0;O2ME264358---705.5837
SM (d34:1) [M+H]+SM 34:1;O2ME264359---703.5762
SM (d34:2) [M+H]+SM 34:2;O2ME264360---701.5594
SM (d36:0) [M+H]+SM 36:0;O2ME264361---733.6191
SM (d36:1) [M+H]+SM 36:1;O2ME264362----
SM (d36:2) [M+H]+SM 36:2;O2ME264363----
SM (d38:1) [M+H]+SM 38:1;O2ME264364----
SM (d38:2) [M+H]+SM 38:2;O2ME264365----
SM (d39:1) [M+H]+SM 39:1;O2ME264366---773.6509
SM (d40:2) A [M+H]+SM 40:2;O2ME264367---785.6518
SM (d42:2) A [M+H]+SM 42:2;O2ME264368---813.6843
TG (46:1) [M+NH4]+TG 46:1ME264369---794.7229
TG (48:1) [M+NH4]+TG 48:1ME264370----
TG (48:2) [M+NH4]+TG 48:2ME264371---820.739
TG (49:1) [M+NH4]+TG 49:1ME264372---836.7698
TG (49:2) [M+NH4]+TG 49:2ME264373---834.7548
TG (50:1) [M+NH4]+TG 50:1ME264374----
TG (50:2) [M+NH4]+TG 50:2ME264375----
TG (50:3) [M+NH4]+TG 50:3ME264376---846.7531
TG (50:4) [M+NH4]+TG 50:4ME264377----
TG (50:6) [M+NH4]+TG 50:6ME264378----
TG (51:1) [M+NH4]+TG 51:1ME264379---864.8002
TG (51:2) [M+NH4]+TG 51:2ME264380----
TG (51:3) [M+Na]+TG 51:3ME264381----
TG (51:3) [M+NH4]+TG 51:3ME264382---860.7488
TG (51:4) [M+NH4]+TG 51:4ME264383---858.7535
TG (51:5) [M+NH4]+TG 51:5ME264384----
TG (52:1) [M+Na]+TG 52:1ME264385----
TG (52:2) [M+NH4]+TG 52:2ME264386----
TG (52:3) [M+NH4]+TG 52:3ME264387----
TG (52:4) [M+NH4]+TG 52:4ME264388----
TG (52:5) [M+NH4]+TG 52:5ME264389----
TG (53:1) [M+NH4]+TG 53:1ME264390----
TG (53:2) [M+Na]+TG 53:2ME264391----
TG (53:3) [M+Na]+TG 53:3ME264392----
TG (53:4) [M+Na]+TG 53:4ME264393----
TG (54:1) [M+NH4]+TG 54:1ME264394----
TG (54:2) [M+NH4]+TG 54:2ME264395----
TG (54:3) [M+NH4]+TG 54:3ME264396----
TG (54:4) [M+NH4]+TG 54:4ME264397----
TG (54:5) A [M+Na]+TG 54:5ME264398----
TG (54:5) B [M+Na]+TG 54:5ME264399----
TG (54:5); TG(16:1/16:1/22:3); [M+Na]+TG 16:1/16:1/22:3*ME264400----
TG (54:6) A [M+NH4]+TG 54:6ME264401----
TG (54:6) B [M+NH4]+TG 54:6ME264402----
TG (54:6); TG(16:0/16:0/22:6); [M+NH4]+TG 16:0/16:0/22:6ME264403----
TG (56:1) [M+NH4]+TG 56:1ME264404----
TG (56:2) [M+NH4]+TG 56:2ME264405----
TG (56:3) [M+Na]+TG 56:3ME264406----
TG (56:4) [M+NH4]+TG 56:4ME264407----
TG (56:5) [M+Na]+TG 56:5ME264408---931.7714
TG (56:5) [M+NH4]+TG 56:5ME264409----
TG (56:6) [M+Na]+TG 56:6ME264410----
TG (56:6); TG(16:0/20:1/20:5); [M+NH4]+TG 16:0/20:1/20:5*ME264411----
TG (56:7) [M+NH4]+TG 56:7ME264412----
TG (56:7); TG(16:0/18:1/22:6); [M+NH4]+TG 16:0/18:1/22:6ME264413----
TG (56:8) [M+NH4]+TG 56:8ME264414----
TG (56:9) [M+NH4]+TG 56:9ME264415---918.7528
TG (57:7) [M+Na]+TG 57:7ME264416----
TG (58:1) [M+NH4]+TG 58:1ME264417---962.9091
TG (58:10) [M+Na]+TG 58:10ME264418----
TG (58:11); TG(16:0/20:5/22:6); [M+NH4]+TG 16:0/20:5/22:6ME264419----
TG (58:12) [M+Na]+TG 58:12ME264420----
TG (58:2) [M+NH4]+TG 58:2ME264421----
TG (58:3) [M+Na]+TG 58:3ME264422---963.8345
TG (58:4) A [M+NH4]+TG 58:4ME264423----
TG (58:6) [M+Na]+TG 58:6ME264424---957.7903
TG (58:7); TG(16:0/20:1/22:6); [M+NH4]+TG 16:0/20:1/22:6*ME264425----
TG (58:8) [M+NH4]+TG 58:8ME264426----
TG (58:9) [M+NH4]+TG 58:9ME264427----
TG (60:11) [M+NH4]+TG 60:11ME264428----
TG (60:12); TG(16:0/22:6/22:6); [M+NH4]+TG 16:0/22:6/22:6ME264429----
TG (60:13); TG(16:1/22:6/22:6); [M+Na]+TG 16:1/22:6/22:6*ME264430----
TG (60:2) [M+NH4]+TG 60:2ME264431----
TG (60:8) [M+Na]+TG 60:8ME264432----
TG (62:12) [M+Na]+TG 62:12ME264433----
TG (62:13) [M+Na]+TG 62:13ME264434----
TG (64:17); TG(20:5/22:6/22:6); [M+NH4]+TG 20:5/22:6/22:6*ME264435----


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
iSTD iSTD Ceramide (d18:1/17:0)-ME264436---586.4985 _610.5432
iSTD iSTD CUDA-ME264437---339.2663
iSTD iSTD FA (16:0)-d3-ME264438---258.2528
iSTD iSTD LPC (17:0)LPC 17:0ME264439---568.3613
iSTD iSTD LPE (17:1)LPE 17:1ME264440---464.2784
iSTD iSTD MAG (17:0/0:0/0:0)-ME264441---403.3086
iSTD iSTD PC (12:0/13:0)-ME264442---694.4636
iSTD iSTD PE (17:0/17:0)-ME264443---718.5381
iSTD iSTD PG (17:0/17:0)-ME264444---749.5359
iSTD iSTD SM (d18:1/17:0)SM 18:1;O2/17:0ME264445---775.587
Ceramide (d32:1)Cer 32:1;O2ME264446----
Ceramide (d33:1)Cer 33:1;O2ME264447----
Ceramide (d34:0)Cer 34:0;O2ME264448----
Ceramide (d34:1)Cer 34:1;O2ME264449----
Ceramide (d34:2)Cer 34:2;O2ME264450----
Ceramide (d36:1)Cer 36:1;O2ME264451----
Ceramide (d38:1)Cer 38:1;O2ME264452----
Ceramide (d39:1)Cer 39:1;O2ME264453----
Ceramide (d40:0)Cer 40:0;O2ME264454----
Ceramide (d40:1)Cer 40:1;O2ME264455----
Ceramide (d40:2)Cer 40:2;O2ME264456----
Ceramide (d41:1)Cer 41:1;O2ME264457---670.59
Ceramide (d42:0)Cer 42:0;O2ME264458----
Ceramide (d42:1)Cer 42:1;O2ME264459----
Ceramide (d42:2) ACer 42:2;O2ME264460----
Ceramide (d42:2) BCer 42:2;O2ME264461----
FA (14:0) (myristicacid)Myristic acidME264462---227.2025
FA (15:0) (pentadecylicacid)Pentadecylic acidME264463---241.218
FA (15:1)Pentadecenoic acidME264464---239.202
FA (16:1) (palmitoleicacid)Palmitoleic acidME264465---253.2183
FA (17:0) (margaricacid)Margaric acidME264466---269.2494
FA (17:1) (heptadecenoicacid)Heptadecenoic acidME264467---267.2337
FA (18:1) (oleicacid)Oleic acidME264468---281.2507
FA (18:2) (linoleicacid)Linoleic acidME264469---279.2339
FA (18:3) (linolenicacid)Octadecatrienoic acidME264470---277.2179
FA (20:1) (eicosenoicacid)Heneicosenoic acidME264471---309.2817
FA (20:2) (eicosadienoicacid)Eicosadienoic acidME264472---307.2651
FA (20:3) (eicosatrienoicacid)Eicosatrienoic acidME264473---305.2488
FA (20:3) (homo-gamma-linolenicacid)Dihomo-gamma-linolenic acidME264474---305.2493
FA (20:4) (arachidonicacid)Arachidonic acidME264475---303.2341
FA (20:5) (eicosapentaenoicacid)Eicosapentaenoic acidME264476----
FA (22:0) (behenicacid)Behenic acidME264477---339.3273
FA (22:1) (erucicacid)Docosenoic acidME264478---337.3121
FA (22:2) (docosadienoicacid)Docosadienoic acidME264479---335.2959
FA (22:6) (docosahexaenoicacid)DHAME264480----
FA (24:0) (lignocericacid)Lignoceric acidME264481---367.3571
FA (24:1) (nervonicacid)Tetracosenoic acidME264482---365.3429
GlcCer (d38:1)GlcCer 38:1;O2ME264483----
GlcCer (d40:1)GlcCer 40:1;O2ME264484---818.6221
GlcCer(d14:1(4E)/20:0(2OH))GlcCer 14:1;O2(4E)/20:0;OME264485---774.5706
LPC (16:0)LPC 16:0ME264486---554.3458
LPC (18:0) BLPC 18:0ME264487---582.3765
LPC (18:1)LPC 18:1ME264488---580.3609
LPC (20:1)LPC 20:1ME264489---608.3915
LPE (16:0)LPE 16:0ME264490---452.2779
PC (32:0)PC 32:0ME264491---792.5739
PC (32:2)PC 32:2ME264492---788.5402
PC (33:2)PC 33:2ME264493---802.5446
PC (34:0)PC 34:0ME264494---820.6141
PC (34:1)PC 34:1ME264495----
PC (34:2)PC 34:2ME264496---816.5732
PC (34:3)PC 34:3ME264497---814.5534
PC (35:1)PC 35:1ME264498---832.6031
PC (35:2)PC 35:2ME264499---830.5783
PC (35:4)PC 35:4ME264500---826.5571
PC (36:1)PC 36:1ME264501----
PC (36:2)PC 36:2ME264502---844.6063
PC (36:3) APC 36:3ME264503---842.5807
PC (36:4) APC 36:4ME264504---840.5674
PC (36:4) BPC 36:4ME264505----
PC (37:4)PC 37:4ME264506---854.5817
PC (38:2)PC 38:2ME264507---872.6356
PC (38:5) APC 38:5ME264508---866.5889
PC (38:5) BPC 38:5ME264509---866.5908
PC (38:6)PC 38:6ME264510---864.5776
PC (40:5) APC 40:5ME264511---894.6194
PC (40:5) BPC 40:5ME264512---894.6197
PC (40:6) APC 40:6ME264513---892.6054
PC (40:6) BPC 40:6ME264514---892.6058
PC (40:7)PC 40:7ME264515---890.5923
PC (o-32:0)PC O-32:0ME264516---778.583
PC (p-34:0) or PC (o-34:1)PC P-34:0 or PC O-34:1ME264517---804.6097
PC (p-34:1) or PC (o-34:2) APC P-34:1 or PC O-34:2ME264518---802.5886
PC (p-36:3) or PC (o-36:4)PC P-36:3 or PC O-36:4ME264519---826.5936
PC (p-38:3) or PC (o-38:4)PC P-38:3 or PC O-38:4ME264520---854.6205
PC (p-38:4) or PC (o-38:5) APC P-38:4 or PC O-38:5ME264521---852.6064
PC (p-38:5) or PC (o-38:6)PC P-38:5 or PC O-38:6ME264522---850.595
PE (34:1)PE 34:1ME264523---716.5225
PE (36:1)PE 36:1ME264524----
PE (36:2)PE 36:2ME264525---742.5364
PE (36:4)PE 36:4ME264526---738.5079
PE (38:4) BPE 38:4ME264527---766.5411
PE (p-34:2) or PE (o-34:3)PE P-34:2 or PE O-34:3ME264528---698.5096
PE (p-36:1) or PE (o-36:2)PE P-36:1 or PE O-36:2ME264529---728.558
PE (p-36:2) or PE (o-36:3)PE P-36:2 or PE O-36:3ME264530---726.5418
PE (p-36:4) or PE (o-36:5)PE P-36:4 or PE O-36:5ME264531---722.5114
PE (p-38:3) or PE (o-38:4)PE P-38:3 or PE O-38:4ME264532---752.5566
PE (p-40:5) or PE (o-40:6)PE P-40:5 or PE O-40:6ME264533---776.5532
PI (34:1)PI 34:1ME264534---835.5326
PI (38:3)PI 38:3ME264535---887.5792
PI (38:5)PI 38:5ME264536---883.5322
SM (d30:1)SM 30:1;O2ME264537---705.518
SM (d32:0)SM 32:0;O2ME264538---735.559
SM (d32:1)SM 32:1;O2ME264539----
SM (d33:1)SM 33:1;O2ME264540---747.5618
SM (d34:1)SM 34:1;O2ME264541---761.5778
SM (d34:2)SM 34:2;O2ME264542---759.5538
SM (d36:1)SM 36:1;O2ME264543---789.6124
SM (d36:2)SM 36:2;O2ME264544---787.581
SM (d36:3)SM 36:3;O2ME264545---785.5784
SM (d37:1)SM 37:1;O2ME264546---803.6219
SM (d38:1)SM 38:1;O2ME264547---817.6416
SM (d39:1)SM 39:1;O2ME264548---831.6539
SM (d40:2) ASM 40:2;O2ME264549---843.6569
SM (d40:2) BSM 40:2;O2ME264550---843.6572
SM (d41:2)SM 41:2;O2ME264551---857.6703
SM (d42:2) ASM 42:2;O2ME264552---871.6877
SM (d42:2) BSM 42:2;O2ME264553---871.6889


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