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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-carboceroyl-Cer(d18:1/16:0)-ME171969---900.8726
1-O-carboceroyl-Cer(d18:1/18:0)-ME171973---970.9509
1-O-cerotoyl-Cer(d18:1/16:0)-ME171972---914.8883
1-O-eicosanoyl-Cer(d18:1/16:0)-ME171950---830.7944
1-O-lignoceroyl-Cer(d18:1/16:0)-ME171851---886.857
1-O-myristoyl-Cer(d18:1/16:0)-ME171946---746.7005
1-O-stearoyl-Cer(d18:1/16:0)-ME172027---802.7631
1-O-tricosanoyl-Cer(d18:1/16:0)-ME171948---872.8413
1-O-tricosanoyl-Cer(d18:1/18:0)-ME171962---998.9822
3-ketosphingosine3-KetosphingosineME171934---298.2768
(4E,6E,d14:2) sphingosine(4E,6E,d14:2) SphingosineME171838---242.2142
(4E,8E,10E-d18:3)sphingosine(4E,8E,10E-d18:3) SphingosineME171942---296.2611
(4E,8E,9Me-d19:2)sphingosine(4E,8E,9Me-d19:2) SphingosineME171920---312.2924
(4E,8Z,d18:2) sphingosine(4E,8Z,d18:2) SphingosineME172038---298.2768
6-hydroxysphingosine6-HydroxysphingosineME172031---316.2873
(9Me,4E,8E,10E-d19:3)sphingosine(9Me,4E,8E,10E-d19:3) SphingosineME171937---310.2768
AplidiasphingosineAplidiasphingosineME171929---370.3343
C14 sphingosineC14 SphingosineME171941---244.2298
C16 SphinganineC16 SphinganineME171839---274.2768
C16 Sphinganine-1-phosphateC16 Sphinganine 1-phosphateME171910---352.2231
C16 SphingosineC16 SphingosineME171939---272.2611
C16 Sphingosine-1-phosphateC16 Sphingosine 1-phosphateME171912---350.2075
C17 SphinganineC17 SphinganineME171864---288.2924
C17 Sphinganine-1-phosphateC17 Sphinganine 1-phosphateME171886---368.2588
C17 SphingosineC17 SphingosineME171994---286.2768
C17 Sphingosine-1-phosphateC17 Sphingosine 1-phosphateME171889---364.2231
C17 sphingosine-1-phosphocholineC17 Sphingosine-1-phosphocholineME171984---451.3323
C18:1 Ceramide (d18:1/18:1(9Z))Cer 18:1;O2/18:1ME171968---562.418
C19 Sphingosine-1-phosphateC19 Sphingosine 1-phosphateME171907---392.2544
Calicogorgin ACalicogorgin AME171985---380.3186
CalyxininCalyxininME171843---487.4497
CapnineCapnineME171837---352.2543
Cer(d14:1(4E)/20:0(2OH))-ME171960---552.497
Cer(d14:1(4E)/20:1(11Z)(2OH))-ME172016---550.4814
Cer(d14:1(4E)/22:0(2OH))-ME171853---580.5283
Cer(d14:1(4E)/22:1(13Z)(2OH))-ME172026---578.5127
Cer(d14:1(4E)/24:0(2OH))-ME171963---608.5596
Cer(d14:1(4E)/26:0(2OH))-ME172018---636.5909
Cer(d14:2(4E,6E)/16:0)Cer 14:2;O2(4E,6E)/16:0*ME172021---478.4238
Cer(d14:2(4E,6E)/18:1(9Z))Cer 14:2;O2(4E,6E)/18:1(9Z)*ME172025---504.4395
Cer(d14:2(4E,6E)/20:1(11Z))Cer 14:2;O2(4E,6E)/20:1(11Z)*ME171861---532.4708
Cer(d14:2(4E,6E)/24:0(2OH))-ME171952---606.544
Cer(d15:2(4E,6E)/20:0)Cer 15:2;O2(4E,6E)/20:0*ME172015---548.5021
Cer(d15:2(4E,6E)/22:0)Cer 15:2;O2(4E,6E)/22:0*ME171859---576.5334
Cer(d15:2(4E,6E)/22:0(2OH))-ME172024---592.5283
Cer(d16:1/17:0)Cer 16:1;O2/17:0ME171866---522.4864
Cer(d16:1/22:0)Cer 16:1;O2/22:0ME171989---592.5647
Cer(d16:1/23:0)Cer 16:1;O2/23:0ME172020---606.5803
Cer(d18:0/13:0)Cer 18:0;O2/13:0ME171949---496.4708
Cer(d18:0/14:0)Cer 18:0;O2/14:0ME171945---510.4864
Cer(d18:0/15:0)Cer 18:0;O2/15:0ME171862---524.5021
Cer(d18:0/16:0)Cer 18:0;O2/16:0ME171953---538.5177
Cer(d18:0/16:0(2OH))Cer 18:0;O2/16:0;OME171974---554.5127
Cer(d18:0/17:0)Cer 18:0;O2/17:0ME171996---552.5334
Cer(d18:0/18:0)Cer 18:0;O2/18:0ME171975---566.549
Cer(d18:0/18:0(2OH))Cer 18:0;O2/18:0;OME171868---582.544
Cer(d18:0/18:1(9Z))Cer 18:0;O2/18:1(9Z)*ME171987---564.5334
Cer(d18:0/20:0)Cer 18:0;O2/20:0ME171976---594.5803
Cer(d18:0/20:0(2OH))Cer 18:0;O2/20:0;OME172012---610.5753
Cer(d18:0/22:0)Cer 18:0;O2/22:0ME171982---622.6116
Cer(d18:0/22:0(2OH))Cer 18:0;O2/22:0;OME171867---638.6066
Cer(d18:0/24:0)Cer 18:0;O2/24:0ME172036---650.6429
Cer(d18:0/24:1(15Z))Cer 18:0;O2/24:1(15Z)*ME172041---648.6273
Cer(d18:0/26:0)Cer 18:0;O2/26:0ME171999---678.6742
Cer(d18:0/h17:0)Cer 18:0;O2/17:0;OME171997---568.5283
Cer(d18:0/h24:0)Cer 18:0;O2/24:0;OME171971---666.6379
Cer(d18:0/h26:0)Cer 18:0;O2/26:0;OME171981---694.6692
Cer(d18:1/12:0)Cer 18:1;O2/12:0ME172023---480.4395
Cer(d18:1/14:0)Cer 18:1;O2/14:0ME172032---508.4708
Cer(d18:1/16:0)Cer 18:1;O2/16:0ME172011---536.5021
Cer(d18:1/17:0)Cer 18:1;O2/17:0ME171958---550.5177
Cer(d18:1/18:0)Cer 18:1;O2/18:0ME171855---564.5334
Cer(d18:1/18:1(9Z))Cer 18:1;O2/18:1(9Z)ME171852---562.5177
Cer(d18:1/19:0)Cer 18:1;O2/19:0ME171955---578.549
Cer(d18:1/2:0)Cer 18:1;O2/2:0ME172028---340.283
Cer(d18:1/20:0)Cer 18:1;O2/20:0ME171954---592.5647
Cer(d18:1/22:0)Cer 18:1;O2/22:0ME171977---620.596
Cer(d18:1/23:0)Cer 18:1;O2/23:0ME172017---634.6116
Cer(d18:1/24:0)Cer 18:1;O2/24:0ME171947---648.6273
Cer(d18:1/24:1(15Z))Cer 18:1;O2/24:1(15Z)ME171857---646.6116
Cer(d18:1/25:0)Cer 18:1;O2/25:0ME171983---662.6429
Cer(d18:1/26:0)Cer 18:1;O2/26:0ME171956---676.6586
Cer(d18:1/26:1(17Z))Cer 18:1;O2/26:1(17Z)ME172007---674.6429
Cer(d18:2/14:0)Cer 18:2;O2/14:0ME171863---506.4551
Cer(d18:2/15:0)Cer 18:2;O2/15:0ME171860---520.4708
Cer(d18:2/16:0)Cer 18:2;O2/16:0ME171850---534.4864
Cer(d18:2/18:1)Cer 18:2;O2/18:1ME172013---560.5021
Cer(d18:2/20:0)Cer 18:2;O2/20:0ME171998---590.549
Cer(d18:2/20:1)Cer 18:2;O2/20:1ME171854---588.5334
Cer(d18:2/21:0)Cer 18:2;O2/21:0ME171957---604.5647
Cer(d18:2/22:0)Cer 18:2;O2/22:0ME172022---618.5803
Cer(d18:2/23:0)Cer 18:2;O2/23:0ME171961---632.596
Cer(d20:0/26:0)Cer 20:0;O2/26:0ME171943---706.7055
Cer(d20:0/26:0(2OH))Cer 20:0;O2/26:0;OME172010---722.7005
CerP(d18:0/16:0)CerP 18:0;O2/16:0ME171990---618.4841
CerP(d18:1/12:0)CerP 18:1;O2/12:0ME171986---560.4058
CerP(d18:1/14:0)CerP 18:1;O2/14:0ME171988---588.4371
CerP(d18:1/16:0)CerP 18:1;O2/16:0ME172014---616.4684
CerP(d18:1/18:0)CerP 18:1;O2/18:0ME171970---644.4997
CerP(d18:1/2:0)CerP 18:1;O2/2:0ME171980---420.2493
CerP(d18:1/20:0)CerP 18:1;O2/20:0ME171951---672.531
CerP(d18:1/22:0)CerP 18:1;O2/22:0ME171856---700.5623
CerP(d18:1/24:0)CerP 18:1;O2/24:0ME171944---728.5936
CerP(d18:1/24:1(15Z))CerP 18:1;O2/24:1ME172000---726.578
CerP(d18:1/26:0)CerP 18:1;O2/26:0ME172033---756.6249
CerP(d18:1/26:1(17Z))CerP 18:1;O2/26:1ME171845---754.6093
CerP(d18:1/8:0)CerP 18:1;O2/8:0ME172029---504.3432
Cer(t18:0/16:0(2OH))Cer 18:0;O3/16:0;OME171959---570.5076
Cer(t18:0/18:0(2OH))Cer 18:0;O3/18:0;OME172035---598.5389
Cer(t18:0/20:0(2OH))Cer 18:0;O3/20:0;OME172009---626.5702
Cer(t18:0/22:0(2OH))Cer 18:0;O3/22:0;OME172030---654.6015
Cer(t18:0/26:0)Cer 18:0;O3/26:0ME172004---694.6692
Cer(t18:0/26:0(2OH))Cer 18:0;O3/26:0;OME172040---710.6641
Cer(t20:0/26:0(2OH))Cer 20:0;O3/26:0;OME172034---738.6954
Clavepictine BClavepictine BME171936---306.2819
DehydrophytosphingosineDehydrophytosphingosineME171928---316.2873
Fumonisin A1Fumonisin A1ME171938---764.409
Fumonisin B1Fumonisin B1ME171965---722.3985
Fumonisin B2Fumonisin B2ME171915---706.4036
Fumonisin B4Fumonisin B4ME171848---690.4086
Fumonisin C1Fumonisin C1ME171840---708.3828
Fumonisin C2Fumonisin C2ME171926---692.3879
Fumonisin C3Fumonisin C3ME172037---692.3879
Fumonisin C4Fumonisin C4ME171940---676.393
Halaminol AHalaminol AME171918---228.2349
Hemsleyin imine AHemsleyin imine AME171841---606.5847
Ins-1-P-Cer(d18:1/22:0)IPC 18:1;O2/22:0ME172003---862.6152
iso (4E,15-methyl-d16:1) sphingosine-ME172039---286.2768
Leucettamol ALeucettamol AME171978---473.4129
MicropineMicropineME171995---266.2142
MyriocinMyriocinME171919---402.2877
N,N-dimethyl-SafingolN,N-Dimethyl-SafingolME172019---330.3394
N,N-dimethylsphingosineN,N-DimethylsphingosineME171836---328.3237
N,N,N-trimethyl-sphingosineN,N,N-Trimethyl-sphingosineME171865---343.3472
Obscuraminol AObscuraminol AME171925---278.2506
Oceanalin AOceanalin AME171964---737.5338
Penaresidin APenaresidin AME171922---330.303
Penazetidine APenazetidine AME171835---370.3707
PhytosphingosinePhytosphingosineME171842---318.303
Phytosphingosine 1-phosphatePhytosphingosine 1-phosphateME171878---396.2493
Plakoside APlakoside AME171967---948.7889
PramanicinPramanicinME171930---370.2251
ProsafrinineProsafrinineME171979---284.2611
ProsopinineProsopinineME172043---288.256
R-DysidazirineR-DysidazirineME171931---308.2611
Rhizochalinin DRhizochalinin DME171849---647.5232
S-AntazirineS-AntazirineME171966---434.0352
Scyphostatin AScyphostatin AME171932---512.3398
SM(d16:1/17:0)SM 16:1;O2/17:0ME171880---689.5619
SM(d16:1/18:1)SM 16:1;O2/18:1ME171875---701.5619
SM(d16:1/22:1)SM 16:1;O2/22:1ME171902---757.6245
SM(d16:1/23:0)SM 16:1;O2/23:0ME171882---773.6558
SM(d16:1/24:0)SM 16:1;O2/24:0ME172006---787.6715
SM(d16:1/24:1)SM 16:1;O2/24:1ME171914---785.6558
SM(d16:1/25:0)SM 16:1;O2/25:0ME171883---801.6871
SM(d17:1/22:0)SM 17:1;O2/22:0ME172001---773.6558
SM(d17:1/24:1)SM 17:1;O2/24:1ME171916---799.6715
SM(d17:1/26:1)SM 17:1;O2/26:1ME171900---827.7028
SM(d18:0/12:0)SM 18:0;O2/12:0ME171873---649.5306
SM(d18:0/13:0)SM 18:0;O2/13:0ME171913---663.5463
SM(d18:0/14:0)SM 18:0;O2/14:0ME171884---677.5619
SM(d18:0/15:0)SM 18:0;O2/15:0ME171899---691.5776
SM(d18:0/16:0)SM 18:0;O2/16:0ME171877---705.5932
SM(d18:0/17:0)SM 18:0;O2/17:0ME171881---719.6089
SM(d18:0/18:0)SM 18:0;O2/18:0ME171901---733.6245
SM(d18:0/18:1(9Z))SM 18:0;O2/18:1(9Z)*ME172042---731.6089
SM(d18:0/20:0)SM 18:0;O2/20:0ME171896---761.6558
SM(d18:0/22:0)SM 18:0;O2/22:0ME171879---789.6871
SM(d18:0/24:0)SM 18:0;O2/24:0ME171897---817.7184
SM(d18:0/26:0)SM 18:0;O2/26:0ME171887---845.7497
SM(d18:0/26:1(17Z))SM 18:0;O2/26:1(17Z)ME172002---843.7341
SM(d18:1/12:0)SM 18:1;O2/12:0ME171888---647.515
SM(d18:1/14:0)SM 18:1;O2/14:0ME171894---675.5463
SM(d18:1/15:0)SM 18:1;O2/15:0ME172005---689.5619
SM(d18:1/16:0)SM 18:1;O2/16:0ME171891---703.5776
SM(d18:1/16:1)SM 18:1;O2/16:1ME171991---701.5619
SM(d18:1/17:0)SM 18:1;O2/17:0ME171876---717.5932
SM(d18:1/18:0)SM 18:1;O2/18:0ME171885---731.6089
SM(d18:1/18:1(9Z))SM 18:1;O2/18:1(9Z)ME171874---729.5932
SM(d18:1/19:0)SM 18:1;O2/19:0ME171908---745.6245
SM(d18:1/20:0)SM 18:1;O2/20:0ME171898---759.6402
SM(d18:1/22:0)SM 18:1;O2/22:0ME171904---787.6715
SM(d18:1/24:0)SM 18:1;O2/24:0ME171911---815.7028
SM(d18:1/24:1(15Z))SM 18:1;O2/24:1(15Z)ME171906---813.6871
SM(d18:1/25:0)SM 18:1;O2/25:0ME171870---829.7184
SM(d18:1/26:0)SM 18:1;O2/26:0ME171869---843.7341
SM(d18:1/26:1(17Z))SM 18:1;O2/26:1(17Z)*ME171871---841.7184
SM(d18:2/14:0)SM 18:2;O2/14:0ME171905---673.5306
SM(d18:2/15:0)SM 18:2;O2/15:0ME171893---687.5463
SM(d18:2/18:1)SM 18:2;O2/18:1ME171909---727.5776
SM(d18:2/20:1)SM 18:2;O2/20:1ME171892---755.6089
SM(d18:2/21:0)SM 18:2;O2/21:0ME171890---771.6402
SM(d18:2/22:1)SM 18:2;O2/22:1ME171872---783.6402
SM(d18:2/24:1)SM 18:2;O2/24:1ME171917---811.6715
SM(d18:2/25:0)SM 18:2;O2/25:0ME171993---827.7028
SM(d19:1/18:0)SM 19:1;O2/18:0ME171992---745.6245
SphinganineSphinganineME171927---302.3081
Sphinganine-1-phosphocholineSphinganine-1-phosphocholineME171933---467.3636
Sphinganine-phosphateSphinganine 1-phosphateME171903---380.2544
Sphingofungin ASphingofungin AME171846---432.3095
Sphingofungin BSphingofungin BME171924---390.2877
Sphingofungin ESphingofungin EME171858---418.2827
SphingosineSphingosineME171834---300.2924
Sphingosine-1-phosphateSphingosine 1-phosphateME171895---378.2388
Sphingosine-1-phosphocholineSphingosine-1-phosphocholineME171921---465.3479
Sphingosine (d18:1)SphingosineME171923---300.392
SpisulosineSpisulosineME172008---286.3132
SulfamisterinSulfamisterinME171844---462.2159
Termitomycesphin ATermitomycesphin AME171847---744.5648
Xestoaminol CXestoaminol CME171935---230.2506


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