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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
1_CE (22:1) iSTD-ME277447---729.6513_724.6973
1_Ceramide C17 iSTD-ME277448---552.5350_574.5170_534.5247
1_Cholesterol d7 iSTD-ME277449---376.3952
1_CUDA (pos) iSTD-ME277450---341.2798
1_DG (12:0/12:0/0:0) iSTD-ME277451---474.4149_479.3707
1_DG (18:1/2:0/0:0) iSTD-ME277452---421.2925_416.3369
1_iSTD iSTD SM (d18:1/17:0) iSTD-ME277453---717.5904
1_LPC (17:0) iSTDLPC 17:0ME277454---510.3549
1_LPE (17:1) iSTDLPE 17:1ME277455---466.2926
1_MG (17:0/0:0/0:0) iSTD-ME277456---345.2996_367.2817
1_PC (25:0) iSTD-ME277457---636.4593
1_PE (17:0/17:0) iSTDPE 17:0/17:0ME277458---720.5543
1_Sphingosine (d17:1) iSTD-ME277459---286.274
1_TG (17:0/17:1/17:0) d5 iSTD-ME277460---869.8334_874.7892
DG (38:5)DG 38:5ME277461---665.511
Gal-Gal-Cer(d18:1/16:0) or Lactosylceramide(d18:1/...LacCer 18:1;O2/16:0ME277462----
LPC (14:0)LPC 14:0ME277463---468.3084
LPC (15:0)LPC 15:0ME277464---482.3238
LPC (16:0)LPC 16:0ME277465---496.3393
LPC (16:1)LPC 16:1ME277466---494.3231
LPC (18:1)LPC 18:1ME277467---522.3547
LPC (18:2)LPC 18:2ME277468---520.3395
LPC (20:3)LPC 20:3ME277469---546.3553
LPC (20:4)LPC 20:4ME277470---544.3395
LPC (20:5)LPC 20:5ME277471---542.3237
LPC (22:6)LPC 22:6ME277472---568.3391
PC (28:0)PC 28:0ME277473----
PC (30:0)PC 30:0ME277474----
PC (30:1)PC 30:1ME277475---704.5217
PC (31:0)PC 31:0ME277476---720.5538
PC (31:1)PC 31:1ME277477---718.5363
PC (34:2)PC 34:2ME277478----
PC (34:3)PC 34:3ME277479---756.5527
PC (34:4)PC 34:4ME277480---754.5374
PC (35:3)PC 35:3ME277481---770.5684
PC (35:4)PC 35:4ME277482---768.5533
PC (36:3) BPC 36:3ME277483---784.5851
PC 36:4;PC 36:4ME277505----
PC (36:4) APC 36:4ME277484---782.5627
PC (36:5) APC 36:5ME277485---780.5529
PC (36:5) BPC 36:5ME277486---780.5541
PC (36:6)PC 36:6ME277487----
PC (37:4)PC 37:4ME277488---796.5847
PC 37:5; PC(19:1/18:4);PC 37:5ME277506---794.5687
PC (37:6)PC 37:6ME277489----
PC (38:5) APC 38:5ME277490---808.5836
PC (38:5) BPC 38:5ME277491---808.5837
PC (38:6) APC 38:6ME277492---806.5699
PC (38:6) BPC 38:6ME277493---806.568
PC (38:6) CPC 38:6ME277494----
PC (38:7)PC 38:7ME277495---804.5533
PC (39:6)PC 39:6ME277496----
PC 40:10;PC 40:10ME277507----
PC (40:5) APC 40:5ME277497---836.6154
PC (40:6) APC 40:6ME277498---834.6
PC (40:7)PC 40:7ME277499---832.5846
PC (40:8)PC 40:8ME277500----
PC 42:11; PC(20:5/22:6);PC 42:11ME277508----
PC (p-34:0) or PC (o-34:1)PC P-34:0 or PC O-34:1ME277501---746.6053
PC (p-36:4) or PC (o-36:5)PC P-36:4 or PC O-36:5ME277502---766.5746
PC (p-38:5) or PC (o-38:6)PC P-38:5 or PC O-38:6ME277503----
PC (p-42:3) or PC (o-42:4)PC P-42:3 or PC O-42:4ME277504---852.6842
PE (34:2)PE 34:2ME277509---716.5268
PE (38:6)PE 38:6ME277510---764.5229
PE (p-36:2) or PE (o-36:3)PE P-36:2 or PE O-36:3ME277511---728.5591
PE (p-36:4) or PE (o-36:5)PE P-36:4 or PE O-36:5ME277512---724.527
PE (p-38:4) or PE (o-38:5)PE P-38:4 or PE O-38:5ME277513---752.5627
PE (p-38:5) or PE (o-38:6)PE P-38:5 or PE O-38:6ME277514---750.5452
PE (p-40:5) or PE (o-40:6)PE P-40:5 or PE O-40:6ME277515---778.5823
Plasmenyl-PC 36:4;PC 36:4ME277516---766.5705
Plasmenyl-PC 37:5;PC 37:5ME277517----
Plasmenyl-PC 38:6;PC 38:6ME277518---790.5739
SM (d36:2)SM 36:2;O2ME277519---729.5909
SM (d36:3)SM 36:3;O2ME277520---727.5734
SM (d38:2)SM 38:2;O2ME277521---757.6213
TG (54:5) ATG 54:5ME277522----


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
1_Ceramide (d18:1/17:0) iSTD-ME277523---586.4974_610.5417
1_CUDA iSTD-ME277524---339.2654
1_FA (16:0)-d3 iSTD-ME277525---258.252
1_LPC (17:0) iSTDLPC 17:0ME277526---568.3617
1_LPE (17:1) iSTDLPE 17:1ME277527---464.2782
1_MAG (17:0/0:0/0:0) iSTD-ME277528---403.3076
1_PC (12:0/13:0) iSTD-ME277529---694.4663
1_PE (17:0/17:0) iSTDPE 17:0/17:0ME277530---718.5391
1_PG (17:0/17:0) iSTD-ME277531---749.5347
1_SM (d18:1/17:0) iSTD-ME277532---775.5963
Ceramide (d34:1)Cer 34:1;O2ME277533---572.4774
FA (15:0) (pentadecylicacid)Pentadecylic acidME277534---241.2164
FA (16:1) (palmitoleicacid)Palmitoleic acidME277535---253.2167
FA (17:0) (margaricacid)Margaric acidME277536---269.248
FA (17:1) (heptadecenoicacid)Heptadecenoic acidME277537---267.2325
FA (18:0) (stearicacid)Stearic acidME277538---283.2654
FA (18:1) (oleicacid)Oleic acidME277539---281.2485
FA (18:2) (linoleicacid)Linoleic acidME277540---279.2327
FA (18:3) (linolenicacid)Octadecatrienoic acidME277541---277.2166
FA (20:0) (arachidicacid)Arachidic acidME277542---311.2951
FA (20:1) (eicosenoicacid)Heneicosenoic acidME277543---309.2799
FA (20:2) (eicosadienoicacid)Eicosadienoic acidME277544---307.2639
FA (20:3) (eicosatrienoicacid)Eicosatrienoic acidME277545---305.2466
FA (20:3) (homo-gamma-linolenicacid)Dihomo-gamma-linolenic acidME277546---305.2479
FA (20:4) (arachidonicacid)Arachidonic acidME277547---303.2325
FA (20:5) (eicosapentaenoicacid)Eicosapentaenoic acidME277548---301.2173
FA (22:0) (behenicacid)Behenic acidME277549---339.3248
FA (22:2) (docosadienoicacid)Docosadienoic acidME277550---335.2947
FA (22:6) (docosahexaenoicacid)DHAME277551---327.2332
GlcCer(d14:1(4E)/20:0(2OH))GlcCer 14:1;O2(4E)/20:0;OME277552---750.5315
LPC (16:0)LPC 16:0ME277553---554.3442
LPC (20:3)LPC 20:3ME277554---604.3585
LPE (16:0)LPE 16:0ME277555---452.2759
LPE (20:4)LPE 20:4ME277556---500.2783
PC (32:0)PC 32:0ME277557---792.5766
PC (32:1)PC 32:1ME277558---790.5577
PC (32:2)PC 32:2ME277559---788.5436
PC (34:1)PC 34:1ME277560---818.5859
PC (34:2)PC 34:2ME277561---816.5762
PC (34:3)PC 34:3ME277562---814.5596
PC (34:4)PC 34:4ME277563---812.5443
PC (36:4) APC 36:4ME277564---840.5756
PC (36:4) BPC 36:4ME277565---840.574
PC (36:5) APC 36:5ME277566---838.5601
PC (36:5) BPC 36:5ME277567---838.5596
PC (38:5) APC 38:5ME277568---866.5911
PC (38:5) BPC 38:5ME277569---866.5917
PC (38:6)PC 38:6ME277570---864.5757
PC (40:7)PC 40:7ME277571---890.5892
PC (o-32:0)PC O-32:0ME277572---778.5916
PC (p-32:0) or PC (o-32:1)PC P-32:0 or PC O-32:1ME277573---776.5711
PC (p-34:0) or PC (o-34:1)PC P-34:0 or PC O-34:1ME277574---804.611
PC (p-34:1) or PC (o-34:2) BPC P-34:1 or PC O-34:2ME277575---802.5944
PC (p-36:3) or PC (o-36:4)PC P-36:3 or PC O-36:4ME277576---826.5953
PC (p-38:4) or PC (o-38:5) APC P-38:4 or PC O-38:5ME277577---852.6111
PC (p-38:5) or PC (o-38:6)PC P-38:5 or PC O-38:6ME277578---850.5959
PE (36:4)PE 36:4ME277579---738.5047
PE (38:4) BPE 38:4ME277580---766.5394
PE (38:6)PE 38:6ME277581---762.507
PE (p-36:1) or PE (o-36:2)PE P-36:1 or PE O-36:2ME277582---728.5576
PE (p-36:2) or PE (o-36:3)PE P-36:2 or PE O-36:3ME277583---726.5416
PE (p-36:4) or PE (o-36:5)PE P-36:4 or PE O-36:5ME277584---722.5121
PE (p-36:5) or PE (o-36:6)PE P-36:5 or PE O-36:6ME277585---720.4963
PE (p-38:2) or PE (o-38:3)PE P-38:2 or PE O-38:3ME277586---754.5687
PE (p-38:3) or PE (o-38:4)PE P-38:3 or PE O-38:4ME277587---752.5588
PE (p-38:5) or PE (o-38:6)PE P-38:5 or PE O-38:6ME277588---748.5273
PE (p-38:6) or PE (o-38:7)PE P-38:6 or PE O-38:7ME277589---746.512
PE (p-40:5) or PE (o-40:6)PE P-40:5 or PE O-40:6ME277590---776.5602
PE (p-40:6) or PE (o-40:7)PE P-40:6 or PE O-40:7ME277591---774.5435


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