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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)-ME173669---858.8257
1-O-carboceroyl-Cer(d18:1/16:0)-ME173642---900.8726
1-O-carboceroyl-Cer(d18:1/18:0)-ME173613---970.9509
1-O-cerotoyl-Cer(d18:1/16:0)-ME173577---914.8883
1-O-cerotoyl-Cer(d18:1/18:0)-ME173678---942.9196
1-O-eicosanoyl-Cer(d18:1/16:0)-ME173580---830.7944
1-O-lignoceroyl-Cer(d18:1/16:0)-ME173675---886.857
1-O-myristoyl-Cer(d18:1/16:0)-ME173676---746.7005
1-O-palmitoyl-Cer(d18:1/16:0)-ME173681---774.7318
1-O-stearoyl-Cer(d18:1/16:0)-ME173629---802.7631
1-O-tricosanoyl-Cer(d18:1/16:0)-ME173679---872.8413
1-O-tricosanoyl-Cer(d18:1/18:0)-ME173674---998.9822
3-ketosphingosine3-KetosphingosineME173654---298.2768
(4E,6E,d14:2) sphingosine(4E,6E,d14:2) SphingosineME173534---242.2142
(4E,8E,10E-d18:3)sphingosine(4E,8E,10E-d18:3) SphingosineME173603---296.2611
(4E,8E,9Me-d19:2)sphingosine(4E,8E,9Me-d19:2) SphingosineME173597---312.2924
(9Me,4E,8E,10E-d19:3)sphingosine(9Me,4E,8E,10E-d19:3) SphingosineME173638---310.2768
AplidiasphingosineAplidiasphingosineME173516---370.3343
C14 sphingosineC14 SphingosineME173540---244.2298
C16 SphinganineC16 SphinganineME173604---274.2768
C16 Sphinganine-1-phosphateC16 Sphinganine 1-phosphateME173522---352.2231
C16 SphingosineC16 SphingosineME173600---272.2611
C16 Sphingosine-1-phosphateC16 Sphingosine 1-phosphateME173521---350.2075
C17 SphinganineC17 SphinganineME173652---288.2924
C17 Sphinganine-1-phosphateC17 Sphinganine 1-phosphateME173539---366.2388
C17 SphingosineC17 SphingosineME173520---286.2768
C17 Sphingosine-1-phosphateC17 Sphingosine 1-phosphateME173538---364.2231
C17 sphingosine-1-phosphocholineC17 Sphingosine-1-phosphocholineME173531---451.3323
C18:1 Ceramide (d18:1/18:1(9Z))Cer 18:1;O2/18:1ME173655---562.418
C19 Sphingosine-1-phosphateC19 Sphingosine 1-phosphateME173523---392.2544
Calicogorgin ACalicogorgin AME173596---380.3186
CalyxininCalyxininME173637---487.4497
Cer(d14:1(4E)/20:0(2OH))-ME173564---552.497
Cer(d14:1(4E)/20:1(11Z)(2OH))-ME173643---550.4814
Cer(d14:1(4E)/22:0(2OH))-ME173575---580.5283
Cer(d14:1(4E)/22:1(13Z)(2OH))-ME173698---578.5127
Cer(d14:1(4E)/24:0(2OH))-ME173657---608.5596
Cer(d14:1(4E)/26:0(2OH))-ME173666---636.5909
Cer(d14:2(4E,6E)/16:0)Cer 14:2;O2(4E,6E)/16:0*ME173624---478.4238
Cer(d14:2(4E,6E)/18:1(9Z))Cer 14:2;O2(4E,6E)/18:1(9Z)*ME173569---504.4395
Cer(d14:2(4E,6E)/20:1(11Z))Cer 14:2;O2(4E,6E)/20:1(11Z)*ME173641---532.4708
Cer(d14:2(4E,6E)/20:1(11Z)(2OH))-ME173625---548.4657
Cer(d14:2(4E,6E)/22:1(13Z)(2OH))-ME173668---576.497
Cer(d14:2(4E,6E)/24:0(2OH))-ME173699---606.544
Cer(d15:2(4E,6E)/20:0)Cer 15:2;O2(4E,6E)/20:0*ME173615---548.5021
Cer(d15:2(4E,6E)/20:0(2OH))-ME173680---564.497
Cer(d15:2(4E,6E)/22:0)Cer 15:2;O2(4E,6E)/22:0*ME173576---576.5334
Cer(d16:1/17:0)Cer 16:1;O2/17:0ME173617---522.4864
Cer(d16:1/23:0)Cer 16:1;O2/23:0ME173623---606.5803
Cer(d16:2(4E,6E)/24:0(2OH))-ME173659---634.5753
Cer(d18:0/13:0)Cer 18:0;O2/13:0ME173627---496.4708
Cer(d18:0/14:0)Cer 18:0;O2/14:0ME173607---510.4864
Cer(d18:0/15:0)Cer 18:0;O2/15:0ME173554---524.5021
Cer(d18:0/16:0)Cer 18:0;O2/16:0ME173606---538.5177
Cer(d18:0/16:0(2OH))Cer 18:0;O2/16:0;OME173612---554.5127
Cer(d18:0/17:0)Cer 18:0;O2/17:0ME173695---552.5334
Cer(d18:0/18:0)Cer 18:0;O2/18:0ME173628---566.549
Cer(d18:0/18:0(2OH))Cer 18:0;O2/18:0;OME173640---582.544
Cer(d18:0/20:0)Cer 18:0;O2/20:0ME173584---594.5803
Cer(d18:0/20:0(2OH))Cer 18:0;O2/20:0;OME173559---610.5753
Cer(d18:0/22:0)Cer 18:0;O2/22:0ME173549---622.6116
Cer(d18:0/22:0(2OH))Cer 18:0;O2/22:0;OME173621---638.6066
Cer(d18:0/24:0)Cer 18:0;O2/24:0ME173579---650.6429
Cer(d18:0/26:0)Cer 18:0;O2/26:0ME173563---678.6742
Cer(d18:0/h17:0)Cer 18:0;O2/17:0;OME173610---568.5283
Cer(d18:0/h24:0)Cer 18:0;O2/24:0;OME173566---666.6379
Cer(d18:0/h26:0)Cer 18:0;O2/26:0;OME173616---694.6692
Cer(d18:1/12:0)Cer 18:1;O2/12:0ME173581---480.4395
Cer(d18:1/14:0)Cer 18:1;O2/14:0ME173609---508.4708
Cer(d18:1/16:0)Cer 18:1;O2/16:0ME173608---536.5021
Cer(d18:1/17:0)Cer 18:1;O2/17:0ME173562---550.5177
Cer(d18:1/18:0)Cer 18:1;O2/18:0ME173556---564.5334
Cer(d18:1/18:1(9Z))Cer 18:1;O2/18:1(9Z)ME173547---562.5177
Cer(d18:1/19:0)Cer 18:1;O2/19:0ME173548---578.549
Cer(d18:1/2:0)Cer 18:1;O2/2:0ME173626---340.283
Cer(d18:1/20:0)Cer 18:1;O2/20:0ME173565---592.5647
Cer(d18:1/22:0)Cer 18:1;O2/22:0ME173585---620.596
Cer(d18:1/23:0)Cer 18:1;O2/23:0ME173557---634.6116
Cer(d18:1/24:0)Cer 18:1;O2/24:0ME173546---648.6273
Cer(d18:1/24:1(15Z))Cer 18:1;O2/24:1(15Z)ME173567---646.6116
Cer(d18:1/25:0)Cer 18:1;O2/25:0ME173683---662.6429
Cer(d18:1/26:0)Cer 18:1;O2/26:0ME173550---676.6586
Cer(d18:1/26:1(17Z))Cer 18:1;O2/26:1(17Z)ME173667---674.6429
Cer(d18:2/14:0)Cer 18:2;O2/14:0ME173558---506.4551
Cer(d18:2/15:0)Cer 18:2;O2/15:0ME173552---520.4708
Cer(d18:2/16:0)Cer 18:2;O2/16:0ME173568---534.4864
Cer(d18:2/18:1)Cer 18:2;O2/18:1ME173618---560.5021
Cer(d18:2/20:0)Cer 18:2;O2/20:0ME173658---590.549
Cer(d18:2/20:1)Cer 18:2;O2/20:1ME173578---588.5334
Cer(d18:2/21:0)Cer 18:2;O2/21:0ME173660---604.5647
Cer(d18:2/22:0)Cer 18:2;O2/22:0ME173620---618.5803
Cer(d18:2/23:0)Cer 18:2;O2/23:0ME173686---632.596
Cer(d20:0/26:0)Cer 20:0;O2/26:0ME173560---706.7055
Cer(d20:0/26:0(2OH))Cer 20:0;O2/26:0;OME173583---722.7005
CerP(d18:0/16:0)CerP 18:0;O2/16:0ME173682---618.4841
CerP(d18:1/12:0)CerP 18:1;O2/12:0ME173619---560.4058
CerP(d18:1/14:0)CerP 18:1;O2/14:0ME173696---588.4371
CerP(d18:1/16:0)CerP 18:1;O2/16:0ME173582---616.4684
CerP(d18:1/18:0)CerP 18:1;O2/18:0ME173665---644.4997
CerP(d18:1/2:0)CerP 18:1;O2/2:0ME173553---420.2493
CerP(d18:1/20:0)CerP 18:1;O2/20:0ME173555---672.531
CerP(d18:1/22:0)CerP 18:1;O2/22:0ME173661---700.5623
CerP(d18:1/24:0)CerP 18:1;O2/24:0ME173574---728.5936
CerP(d18:1/24:1(15Z))CerP 18:1;O2/24:1ME173614---726.578
CerP(d18:1/26:0)CerP 18:1;O2/26:0ME173573---756.6249
CerP(d18:1/26:1(17Z))CerP 18:1;O2/26:1ME173656---754.6093
CerP(d18:1/8:0)CerP 18:1;O2/8:0ME173670---504.3432
Cer(t18:0/16:0(2OH))Cer 18:0;O3/16:0;OME173572---570.5076
Cer(t18:0/18:0(2OH))Cer 18:0;O3/18:0;OME173622---598.5389
Cer(t18:0/20:0(2OH))Cer 18:0;O3/20:0;OME173571---626.5702
Cer(t18:0/22:0(2OH))Cer 18:0;O3/22:0;OME173611---654.6015
Cer(t18:0/24:0(2OH))Cer 18:0;O3/24:0;OME173561---682.6328
Cer(t18:0/26:0(2OH))Cer 18:0;O3/26:0;OME173570---710.6641
Cer(t20:0/26:0(2OH))Cer 20:0;O3/26:0;OME173551---738.6954
Clavepictine BClavepictine BME173639---306.2819
DehydrophytosphingosineDehydrophytosphingosineME173544---316.2873
Fumonisin A1Fumonisin A1ME173653---764.409
Fumonisin B1Fumonisin B1ME173530---722.3985
Fumonisin B2Fumonisin B2ME173510---706.4036
Fumonisin B4Fumonisin B4ME173513---690.4086
Fumonisin C1Fumonisin C1ME173515---708.3828
Fumonisin C2Fumonisin C2ME173509---692.3879
Fumonisin C4Fumonisin C4ME173529---676.393
Halaminol AHalaminol AME173532---228.2349
Hemsleyin imine AHemsleyin imine AME173528---606.5847
Leucettamol ALeucettamol AME173525---473.4129
MicropineMicropineME173514---266.2142
MyriocinMyriocinME173605---402.2877
N,N-dimethylsphingosineN,N-DimethylsphingosineME173524---328.3237
N,N,N-trimethyl-sphingosineN,N,N-Trimethyl-sphingosineME173518---343.3472
Obscuraminol AObscuraminol AME173691---278.2506
Oceanalin AOceanalin AME173537---737.5338
Penaresidin APenaresidin AME173512---330.303
Penazetidine APenazetidine AME173519---370.3707
PhytosphingosinePhytosphingosineME173664---318.303
Phytosphingosine 1-phosphatePhytosphingosine 1-phosphateME173602---396.2493
Plakoside APlakoside AME173533---948.7889
PramanicinPramanicinME173651---370.2251
ProsafrinineProsafrinineME173598---284.2611
ProsopinineProsopinineME173685---288.256
R-DysidazirineR-DysidazirineME173535---308.2611
Rhizochalinin DRhizochalinin DME173517---647.5232
S-AntazirineS-AntazirineME173650---434.0352
Scyphostatin AScyphostatin AME173536---512.3398
SM(d16:1/17:0)SM 16:1;O2/17:0ME173677---689.5619
SM(d16:1/18:1)SM 16:1;O2/18:1ME173687---701.5619
SM(d16:1/22:1)SM 16:1;O2/22:1ME173593---757.6245
SM(d16:1/23:0)SM 16:1;O2/23:0ME173673---773.6558
SM(d16:1/24:1)SM 16:1;O2/24:1ME173590---785.6558
SM(d16:1/25:0)SM 16:1;O2/25:0ME173693---801.6871
SM(d17:1/24:1)SM 17:1;O2/24:1ME173662---799.6715
SM(d17:1/26:1)SM 17:1;O2/26:1ME173504---827.7028
SM(d18:0/12:0)SM 18:0;O2/12:0ME173587---649.5306
SM(d18:0/13:0)SM 18:0;O2/13:0ME173636---663.5463
SM(d18:0/14:0)SM 18:0;O2/14:0ME173694---677.5619
SM(d18:0/15:0)SM 18:0;O2/15:0ME173648---691.5776
SM(d18:0/16:0)SM 18:0;O2/16:0ME173688---705.5932
SM(d18:0/17:0)SM 18:0;O2/17:0ME173595---719.6089
SM(d18:0/18:0)SM 18:0;O2/18:0ME173690---733.6245
SM(d18:0/20:0)SM 18:0;O2/20:0ME173644---761.6558
SM(d18:0/22:0)SM 18:0;O2/22:0ME173592---789.6871
SM(d18:0/24:0)SM 18:0;O2/24:0ME173646---817.7184
SM(d18:0/26:0)SM 18:0;O2/26:0ME173503---845.7497
SM(d18:1/12:0)SM 18:1;O2/12:0ME173635---647.515
SM(d18:1/14:0)SM 18:1;O2/14:0ME173591---675.5463
SM(d18:1/16:0)SM 18:1;O2/16:0ME173647---703.5776
SM(d18:1/17:0)SM 18:1;O2/17:0ME173505---717.5932
SM(d18:1/18:0)SM 18:1;O2/18:0ME173645---731.6089
SM(d18:1/18:1(9Z))SM 18:1;O2/18:1(9Z)ME173672---729.5932
SM(d18:1/19:0)SM 18:1;O2/19:0ME173589---745.6245
SM(d18:1/20:0)SM 18:1;O2/20:0ME173697---759.6402
SM(d18:1/22:0)SM 18:1;O2/22:0ME173692---787.6715
SM(d18:1/24:0)SM 18:1;O2/24:0ME173634---815.7028
SM(d18:1/24:1(15Z))SM 18:1;O2/24:1(15Z)ME173630---813.6871
SM(d18:1/25:0)SM 18:1;O2/25:0ME173684---829.7184
SM(d18:1/26:0)SM 18:1;O2/26:0ME173671---843.7341
SM(d18:1/26:1(17Z))SM 18:1;O2/26:1(17Z)*ME173594---841.7184
SM(d18:2/14:0)SM 18:2;O2/14:0ME173632---673.5306
SM(d18:2/15:0)SM 18:2;O2/15:0ME173631---687.5463
SM(d18:2/18:1)SM 18:2;O2/18:1ME173586---727.5776
SM(d18:2/20:1)SM 18:2;O2/20:1ME173633---755.6089
SM(d18:2/21:0)SM 18:2;O2/21:0ME173649---771.6402
SM(d18:2/22:1)SM 18:2;O2/22:1ME173588---783.6402
SM(d18:2/24:1)SM 18:2;O2/24:1ME173689---811.6715
SphinganineSphinganineME173542---302.3081
Sphinganine-1-phosphocholineSphinganine-1-phosphocholineME173526---467.3636
Sphinganine-phosphateSphinganine 1-phosphateME173507---380.2544
Sphingofungin ASphingofungin AME173599---432.3095
Sphingofungin BSphingofungin BME173543---390.2877
Sphingofungin ESphingofungin EME173601---418.2827
SphingosineSphingosineME173508---300.2924
Sphingosine-1-phosphateSphingosine 1-phosphateME173506---378.2388
Sphingosine-1-phosphocholineSphingosine-1-phosphocholineME173511---465.3479
Sphingosine (d18:1)SphingosineME173663---300.392
SulfamisterinSulfamisterinME173527---462.2159
Termitomycesphin ATermitomycesphin AME173541---744.5648
Xestoaminol CXestoaminol CME173545---230.2506


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