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Analysis: Direct infusion

SelectMetabolite Name RefMet Name/Standardized Name* WorkBench
Metabolite_ID		 PubChem
Compound_ID		 Kegg Id Retention
time/index		 m/z ratio
1-O-behenoyl-Cer(d18:1/16:0)-ME172237---858.8257
1-O-carboceroyl-Cer(d18:1/16:0)-ME172241---900.8726
1-O-carboceroyl-Cer(d18:1/18:0)-ME172162---970.9509
1-O-cerotoyl-Cer(d18:1/16:0)-ME172205---914.8883
1-O-cerotoyl-Cer(d18:1/18:0)-ME172163---942.9196
1-O-eicosanoyl-Cer(d18:1/16:0)-ME172161---830.7944
1-O-lignoceroyl-Cer(d18:1/16:0)-ME172199---886.857
1-O-myristoyl-Cer(d18:1/16:0)-ME172195---746.7005
1-O-palmitoyl-Cer(d18:1/16:0)-ME172083---774.7318
1-O-stearoyl-Cer(d18:1/16:0)-ME172236---802.7631
1-O-tricosanoyl-Cer(d18:1/16:0)-ME172186---872.8413
1-O-tricosanoyl-Cer(d18:1/18:0)-ME172181---998.9822
3-ketosphingosine3-KetosphingosineME172126---298.2768
(4E,6E,d14:2) sphingosine(4E,6E,d14:2) SphingosineME172062---242.2142
(4E,8E,10E-d18:3)sphingosine(4E,8E,10E-d18:3) SphingosineME172124---296.2611
(4E,8E,9Me-d19:2)sphingosine(4E,8E,9Me-d19:2) SphingosineME172110---312.2924
(4E,8Z,d18:2) sphingosine(4E,8Z,d18:2) SphingosineME172210---298.2768
6-hydroxysphingosine6-HydroxysphingosineME172216---316.2873
(9Me,4E,8E,10E-d19:3)sphingosine(9Me,4E,8E,10E-d19:3) SphingosineME172129---310.2768
AplidiasphingosineAplidiasphingosineME172111---370.3343
C14 sphingosineC14 SphingosineME172170---244.2298
C16 SphinganineC16 SphinganineME172054---274.2768
C16 Sphinganine-1-phosphateC16 Sphinganine 1-phosphateME172103---352.2231
C16 SphingosineC16 SphingosineME172173---272.2611
C16 Sphingosine-1-phosphateC16 Sphingosine 1-phosphateME172104---350.2075
C17 SphinganineC17 SphinganineME172065---288.2924
C17 Sphinganine-1-phosphateC17 Sphinganine 1-phosphateME172091---366.2388
C17 SphingosineC17 SphingosineME172114---286.2768
C17 Sphingosine-1-phosphateC17 Sphingosine 1-phosphateME172105---364.2231
C17 sphingosine-1-phosphocholineC17 Sphingosine-1-phosphocholineME172128---451.3323
C18:1 Ceramide (d18:1/18:1(9Z))Cer 18:1;O2/18:1ME172184---562.418
C19 Sphingosine-1-phosphateC19 Sphingosine 1-phosphateME172102---392.2544
Calicogorgin ACalicogorgin AME172116---380.3186
CalyxininCalyxininME172068---487.4497
CapnineCapnineME172044---352.2543
Cer(d14:1(4E)/20:0(2OH))-ME172164---552.497
Cer(d14:1(4E)/22:0(2OH))-ME172157---580.5283
Cer(d14:1(4E)/22:1(13Z)(2OH))-ME172235---578.5127
Cer(d14:1(4E)/24:0(2OH))-ME172238---608.5596
Cer(d14:1(4E)/26:0(2OH))-ME172246---636.5909
Cer(d14:2(4E,6E)/16:0)Cer 14:2;O2(4E,6E)/16:0*ME172166---478.4238
Cer(d14:2(4E,6E)/18:1(9Z))Cer 14:2;O2(4E,6E)/18:1(9Z)*ME172095---504.4395
Cer(d15:2(4E,6E)/22:0)Cer 15:2;O2(4E,6E)/22:0*ME172158---576.5334
Cer(d15:2(4E,6E)/22:0(2OH))-ME172208---592.5283
Cer(d16:1/17:0)Cer 16:1;O2/17:0ME172213---522.4864
Cer(d16:1/22:0)Cer 16:1;O2/22:0ME172247---592.5647
Cer(d16:1/23:0)Cer 16:1;O2/23:0ME172087---606.5803
Cer(d16:2(4E,6E)/22:1(13Z)(2OH))-ME172206---604.5283
Cer(d18:0/13:0)Cer 18:0;O2/13:0ME172211---496.4708
Cer(d18:0/14:0)Cer 18:0;O2/14:0ME172159---510.4864
Cer(d18:0/15:0)Cer 18:0;O2/15:0ME172197---524.5021
Cer(d18:0/16:0)Cer 18:0;O2/16:0ME172073---538.5177
Cer(d18:0/16:0(2OH))Cer 18:0;O2/16:0;OME172239---554.5127
Cer(d18:0/17:0)Cer 18:0;O2/17:0ME172217---552.5334
Cer(d18:0/18:0)Cer 18:0;O2/18:0ME172192---566.549
Cer(d18:0/18:0(2OH))Cer 18:0;O2/18:0;OME172198---582.544
Cer(d18:0/18:1(9Z))Cer 18:0;O2/18:1(9Z)*ME172214---564.5334
Cer(d18:0/20:0)Cer 18:0;O2/20:0ME172187---594.5803
Cer(d18:0/22:0)Cer 18:0;O2/22:0ME172084---622.6116
Cer(d18:0/22:0(2OH))Cer 18:0;O2/22:0;OME172234---638.6066
Cer(d18:0/24:0)Cer 18:0;O2/24:0ME172245---650.6429
Cer(d18:0/24:1(15Z))Cer 18:0;O2/24:1(15Z)*ME172225---648.6273
Cer(d18:0/26:0)Cer 18:0;O2/26:0ME172230---678.6742
Cer(d18:0/h17:0)Cer 18:0;O2/17:0;OME172098---568.5283
Cer(d18:0/h24:0)Cer 18:0;O2/24:0;OME172207---666.6379
Cer(d18:0/h26:0)Cer 18:0;O2/26:0;OME172244---694.6692
Cer(d18:1/12:0)Cer 18:1;O2/12:0ME172165---480.4395
Cer(d18:1/14:0)Cer 18:1;O2/14:0ME172243---508.4708
Cer(d18:1/16:0)Cer 18:1;O2/16:0ME172085---536.5021
Cer(d18:1/17:0)Cer 18:1;O2/17:0ME172082---550.5177
Cer(d18:1/18:0)Cer 18:1;O2/18:0ME172067---564.5334
Cer(d18:1/18:1(9Z))Cer 18:1;O2/18:1(9Z)ME172052---562.5177
Cer(d18:1/19:0)Cer 18:1;O2/19:0ME172156---578.549
Cer(d18:1/2:0)Cer 18:1;O2/2:0ME172089---340.283
Cer(d18:1/20:0)Cer 18:1;O2/20:0ME172090---592.5647
Cer(d18:1/22:0)Cer 18:1;O2/22:0ME172160---620.596
Cer(d18:1/23:0)Cer 18:1;O2/23:0ME172240---634.6116
Cer(d18:1/24:0)Cer 18:1;O2/24:0ME172191---648.6273
Cer(d18:1/24:1(15Z))Cer 18:1;O2/24:1(15Z)ME172088---646.6116
Cer(d18:1/25:0)Cer 18:1;O2/25:0ME172178---662.6429
Cer(d18:1/26:0)Cer 18:1;O2/26:0ME172202---676.6586
Cer(d18:1/26:1(17Z))Cer 18:1;O2/26:1(17Z)ME172201---674.6429
Cer(d18:2/14:0)Cer 18:2;O2/14:0ME172212---506.4551
Cer(d18:2/15:0)Cer 18:2;O2/15:0ME172093---520.4708
Cer(d18:2/16:0)Cer 18:2;O2/16:0ME172080---534.4864
Cer(d18:2/18:1)Cer 18:2;O2/18:1ME172175---560.5021
Cer(d18:2/20:0)Cer 18:2;O2/20:0ME172183---590.549
Cer(d18:2/20:1)Cer 18:2;O2/20:1ME172094---588.5334
Cer(d18:2/21:0)Cer 18:2;O2/21:0ME172086---604.5647
Cer(d18:2/22:0)Cer 18:2;O2/22:0ME172177---618.5803
Cer(d18:2/23:0)Cer 18:2;O2/23:0ME172081---632.596
Cer(d20:0/26:0(2OH))Cer 20:0;O2/26:0;OME172204---722.7005
CerP(d18:0/16:0)CerP 18:0;O2/16:0ME172215---618.4841
CerP(d18:1/12:0)CerP 18:1;O2/12:0ME172203---560.4058
CerP(d18:1/14:0)CerP 18:1;O2/14:0ME172218---588.4371
CerP(d18:1/18:0)CerP 18:1;O2/18:0ME172233---644.4997
CerP(d18:1/2:0)CerP 18:1;O2/2:0ME172209---420.2493
CerP(d18:1/22:0)CerP 18:1;O2/22:0ME172229---700.5623
CerP(d18:1/24:0)CerP 18:1;O2/24:0ME172196---728.5936
CerP(d18:1/24:1(15Z))CerP 18:1;O2/24:1ME172176---726.578
CerP(d18:1/26:0)CerP 18:1;O2/26:0ME172185---756.6249
CerP(d18:1/26:1(17Z))CerP 18:1;O2/26:1ME172092---754.6093
Cer(t18:0/16:0(2OH))Cer 18:0;O3/16:0;OME172180---570.5076
Cer(t18:0/18:0(2OH))Cer 18:0;O3/18:0;OME172194---598.5389
Cer(t18:0/20:0(2OH))Cer 18:0;O3/20:0;OME172193---626.5702
Cer(t18:0/22:0(2OH))Cer 18:0;O3/22:0;OME172242---654.6015
Cer(t18:0/24:0(2OH))Cer 18:0;O3/24:0;OME172200---682.6328
Cer(t18:0/26:0)Cer 18:0;O3/26:0ME172226---694.6692
Cer(t18:0/26:0(2OH))Cer 18:0;O3/26:0;OME172179---710.6641
Clavepictine BClavepictine BME172125---306.2819
DehydrophytosphingosineDehydrophytosphingosineME172109---316.2873
Fumonisin A1Fumonisin A1ME172119---764.409
Fumonisin B1Fumonisin B1ME172167---722.3985
Fumonisin B2Fumonisin B2ME172056---706.4036
Fumonisin B4Fumonisin B4ME172048---690.4086
Fumonisin C1Fumonisin C1ME172112---708.3828
Fumonisin C2Fumonisin C2ME172108---692.3879
Fumonisin C3Fumonisin C3ME172221---692.3879
Fumonisin C4Fumonisin C4ME172113---676.393
Halaminol AHalaminol AME172190---228.2349
Hemsleyin imine AHemsleyin imine AME172046---606.5847
Ins-1-P-Cer(d18:1/22:0)IPC 18:1;O2/22:0ME172220---862.6152
iso (4E,15-methyl-d16:1) sphingosine-ME172069---286.2768
Leucettamol ALeucettamol AME172118---473.4129
MicropineMicropineME172172---266.2142
MyriocinMyriocinME172127---402.2877
N,N-dimethylsphingosineN,N-DimethylsphingosineME172045---328.3237
N,N,N-trimethyl-sphingosineN,N,N-Trimethyl-sphingosineME172047---343.3472
Obscuraminol AObscuraminol AME172120---278.2506
Oceanalin AOceanalin AME172106---737.5338
Penaresidin APenaresidin AME172107---330.303
Penazetidine APenazetidine AME172188---370.3707
PhytosphingosinePhytosphingosineME172064---318.303
Phytosphingosine 1-phosphatePhytosphingosine 1-phosphateME172101---396.2493
Plakoside APlakoside AME172171---948.7889
PramanicinPramanicinME172117---370.2251
ProsafrinineProsafrinineME172174---284.2611
ProsopinineProsopinineME172189---288.256
R-DysidazirineR-DysidazirineME172053---308.2611
Rhizochalinin DRhizochalinin DME172063---647.5232
S-AntazirineS-AntazirineME172115---434.0352
Scyphostatin AScyphostatin AME172122---512.3398
SM(d16:1/17:0)SM 16:1;O2/17:0ME172066---689.5619
SM(d16:1/18:0)SM 16:1;O2/18:0ME172232---703.5776
SM(d16:1/18:1)SM 16:1;O2/18:1ME172139---701.5619
SM(d16:1/22:1)SM 16:1;O2/22:1ME172143---757.6245
SM(d16:1/23:0)SM 16:1;O2/23:0ME172155---773.6558
SM(d16:1/24:0)SM 16:1;O2/24:0ME172227---787.6715
SM(d16:1/24:1)SM 16:1;O2/24:1ME172146---785.6558
SM(d16:1/25:0)SM 16:1;O2/25:0ME172147---801.6871
SM(d17:1/22:0)SM 17:1;O2/22:0ME172231---773.6558
SM(d17:1/24:1)SM 17:1;O2/24:1ME172138---799.6715
SM(d17:1/26:1)SM 17:1;O2/26:1ME172152---827.7028
SM(d18:0/12:0)SM 18:0;O2/12:0ME172132---649.5306
SM(d18:0/13:0)SM 18:0;O2/13:0ME172075---663.5463
SM(d18:0/14:0)SM 18:0;O2/14:0ME172131---677.5619
SM(d18:0/15:0)SM 18:0;O2/15:0ME172151---691.5776
SM(d18:0/16:0)SM 18:0;O2/16:0ME172057---705.5932
SM(d18:0/17:0)SM 18:0;O2/17:0ME172145---719.6089
SM(d18:0/18:0)SM 18:0;O2/18:0ME172133---733.6245
SM(d18:0/18:1(9Z))SM 18:0;O2/18:1(9Z)*ME172222---731.6089
SM(d18:0/20:0)SM 18:0;O2/20:0ME172130---761.6558
SM(d18:0/22:0)SM 18:0;O2/22:0ME172148---789.6871
SM(d18:0/24:0)SM 18:0;O2/24:0ME172140---817.7184
SM(d18:0/26:0)SM 18:0;O2/26:0ME172150---845.7497
SM(d18:0/26:1(17Z))SM 18:0;O2/26:1(17Z)ME172248---843.7341
SM(d18:1/12:0)SM 18:1;O2/12:0ME172076---647.515
SM(d18:1/14:0)SM 18:1;O2/14:0ME172058---675.5463
SM(d18:1/15:0)SM 18:1;O2/15:0ME172228---689.5619
SM(d18:1/16:0)SM 18:1;O2/16:0ME172079---703.5776
SM(d18:1/16:1)SM 18:1;O2/16:1ME172219---701.5619
SM(d18:1/17:0)SM 18:1;O2/17:0ME172049---717.5932
SM(d18:1/18:0)SM 18:1;O2/18:0ME172135---731.6089
SM(d18:1/18:1(9Z))SM 18:1;O2/18:1(9Z)ME172078---729.5932
SM(d18:1/19:0)SM 18:1;O2/19:0ME172074---745.6245
SM(d18:1/20:0)SM 18:1;O2/20:0ME172072---759.6402
SM(d18:1/22:0)SM 18:1;O2/22:0ME172070---787.6715
SM(d18:1/24:0)SM 18:1;O2/24:0ME172144---815.7028
SM(d18:1/24:1(15Z))SM 18:1;O2/24:1(15Z)ME172153---813.6871
SM(d18:1/25:0)SM 18:1;O2/25:0ME172137---829.7184
SM(d18:1/26:0)SM 18:1;O2/26:0ME172141---843.7341
SM(d18:1/26:1(17Z))SM 18:1;O2/26:1(17Z)*ME172154---841.7184
SM(d18:2/14:0)SM 18:2;O2/14:0ME172136---673.5306
SM(d18:2/15:0)SM 18:2;O2/15:0ME172061---687.5463
SM(d18:2/18:1)SM 18:2;O2/18:1ME172077---727.5776
SM(d18:2/20:1)SM 18:2;O2/20:1ME172051---755.6089
SM(d18:2/21:0)SM 18:2;O2/21:0ME172149---771.6402
SM(d18:2/22:1)SM 18:2;O2/22:1ME172134---783.6402
SM(d18:2/24:1)SM 18:2;O2/24:1ME172142---811.6715
SM(d18:2/25:0)SM 18:2;O2/25:0ME172224---827.7028
SM(d19:1/18:0)SM 19:1;O2/18:0ME172223---745.6245
SphinganineSphinganineME172071---302.3081
Sphinganine-1-phosphocholineSphinganine-1-phosphocholineME172121---467.3636
Sphinganine-phosphateSphinganine 1-phosphateME172100---380.2544
Sphingofungin ASphingofungin AME172096---432.3095
Sphingofungin BSphingofungin BME172123---390.2877
Sphingofungin ESphingofungin EME172060---418.2827
SphingosineSphingosineME172055---300.2924
Sphingosine-1-phosphateSphingosine 1-phosphateME172097---378.2388
Sphingosine-1-phosphocholineSphingosine-1-phosphocholineME172182---465.3479
Sphingosine (d18:1)SphingosineME172168---300.392
SpisulosineSpisulosineME172169---286.3132
SulfamisterinSulfamisterinME172099---462.2159
Termitomycesphin ATermitomycesphin AME172050---744.5648
Xestoaminol CXestoaminol CME172059---230.2506


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