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Analysis: HILIC NEGATIVE ION MODE

SelectMetabolite Name RefMet Name/Standardized Name* WorkBench
Metabolite_ID		 PubChem
Compound_ID		 Kegg Id Retention
time/index		 m/z ratio
Maltoheptaose-ME861344--6.281151.37
MethylnicotinamideMethyl nicotinamideME861349--0.84131.06
Malic acidMalic acidME861342--2.31133.01
Oxoglutaric acid2-Oxoglutaric acidME861362--1.59145.01
GLUTAMINEGlutamineME861323--4.21145.06
AcetylserineO-AcetylserineME861299--2.17146.05
Hydroxyglutarate2-Hydroxyglutaric acidME861330--2.13147.03
XANTHINEXanthineME861386--1.14151.03
Methionine-methyl-D3 (ISTD)-ME861347--2.13151.06
L-PhenylalaninePhenylalanineME861338--1.73164.07
D-Phenylalanine-d5 (ISTD)-ME861312--1.74169.10
N-Acetyl-asparagineN-AcetylasparagineME861351--2.83173.06
Isopropylmalic acidIsopropylmalic acidME861333--1.01175.06
Caffeine 13C3 (ISTD)CaffeineME861305--4.70178.07
D-FRUCTOSEFructoseME861310--2.94179.06
myo-InositolMyo-inositolME861350--3.91179.06
GALACTITOLGalactitolME861316--2.37181.07
N-Acetyl-L-glutamineN-AcetylglutamineME861353--2.62187.07
Azelaic acidAzelaic acidME861304--0.71187.10
Hydroxydecanoic acidHydroxydecanoic acidME861329--0.79187.13
N-Acetyl-L-glutamic acidN-Acetyl-mannosamineME861352--1.98188.06
CITRATECitric acidME861308--5.39191.02
ISOCITRIC ACIDIsocitric acidME861332--4.82191.02
Quinic acidQuinic acidME861376--2.95191.06
GLUCURONIC ACIDGlucuronic acidME861321--4.73193.03
GLUCONIC ACIDGluconic acidME861318--3.86195.05
Ferulic Acid-d3 (ISTD)-ME861315--0.80196.07
NG,NG-Dimethylarginine-ME861356--5.17201.14
TryptophanTryptophanME861379--1.89203.08
METHYLCITRATE-ME861348--4.81205.04
Glycerylphosphorylethanolaminesn-Glycero-3-phosphoethanolamineME861326--4.93214.05
Pantothenic acidPantothenic acidME861364--1.15218.10
CYSTATHIONINECystathionineME861309--5.77221.06
Glucoheptonic acidGlucoheptonic acidME861317--3.93225.06
Traumatic AcidTraumatic acidME861378--0.71227.13
D-GLUCOSE-6-PHOSPHATEGlucose 6-phosphateME861311--4.29241.01
URIDINEUridineME861384--1.28243.06
Oxododecanedioic acid-ME861361--0.91243.12
Glycerophosphoglycerolsn-Glycero-3-phosphoglycerolME861324--4.39245.04
N-Palmitoyl Cysteine-ME861357--0.74253.14
Palmitic acidPalmitic acidME861363--0.71255.23
GLUCOSAMINE 6-PHOSPHATEGlucosamine 6-phosphateME861319--5.45258.04
Glucose 1-phosphateGlucose 1-phosphateME861320--5.10259.02
MANNOSE 6-PHOSPHATEMannose 6-phosphateME861346--5.46259.02
Glucuronic acid 1-phosphate-ME861322--6.15273.00
Hydroxyoctadecenoic acidHydroxyoctadecenoic acidME861331--0.71279.23
Stearic acidStearic acidME861377--0.70283.26
OPHTHALMIC ACIDOphthalmic acidME861359--5.06288.12
5'-N-Methylcarboxamidoadenosine-ME861298--4.82293.10
Histidine glutamate-ME861328--2.59299.10
Aspartyl-ArginineAsp-ArgME861303--2.35310.11
Uridine 5'-monophosphateUMPME861385--4.28323.03
Glycerophosphoinositolsn-Glycero-3-phosphoinositolME861325--5.37333.06
MaltitolMaltitolME861343--4.09343.12
GUANOSINE 5'-MONOPHOSPHATEGMPME861327--5.14362.05
Pantothenic acid 4'-O-b-D-glucoside-ME861365--2.37362.15
LysoPE(14:1/0:0)LPE 14:1/0:0*ME861340--0.74404.22
LPA 16:0LPA 16:0ME861334--0.83409.24
N-Docosahexaenoyl Alanine-ME861355--0.71420.25
ADPADPME861301--5.65426.02
LPA 18:2LPA 18:2ME861335--0.83433.23
LPE 16:0LPE 16:0ME861336--0.84452.28
AdenylosuccinateAdenylsuccinic acidME861300--5.70462.07
LPE 18:2LPE 18:2ME861337--1.05476.28
LysoPE(18:1/0:0)LPE 18:1/0:0ME861341--0.84478.29
PE(18:1/0:0)LPE 18:1/0:0ME861368--1.03478.29
LPS 16:0LPS 16:0ME861339--0.84496.27
UDP-xyloseUDP-xyloseME861383--5.51535.04
FAHFA 34:1FAHFA 34:1;OME861314--0.71535.47
ADP-riboseADP-riboseME861302--5.53558.06
FAHFA 18:2/18:1-ME861313--0.71559.47
UDP-a-D-Galactose-ME861380--5.56565.05
1-Heneicosanoyl-glycero-3-phosphoserine-ME861297--1.00566.35
UDP-Glucuronic AcidUDP-glucuronic acidME861381--6.27579.03
nucleotide sugars-ME861358--6.08604.07
UDP-N-acetyl-D-GlucosamineUDP-N-acetylglucosamineME861382--5.46606.07
Oxidized glutathioneOxidized glutathioneME861360--6.64611.14
CerP 19:1;2O/16:0CerP 19:1;O2/16:0ME861306--0.71630.49
CerP 19:1;2O/18:0CerP 19:1;O2/18:0ME861307--0.71658.52
NADHNADHME861354--5.34664.12
PE 34:2PE 34:2ME861366--0.81714.51
PE 36:4PE 36:4ME861367--0.79738.51
PS 34:2PS 34:2ME861375--0.83758.50
PS 16:0_18:1PS 16:0_18:1ME861373--0.83760.51
PS 16:0_18:1_iso-ME861374--0.97760.51
PE(20:0/PGD1)-ME861369--0.79826.56
PI 34:2PI 34:2ME861372--0.83833.52
PI 34:1PI 34:1ME861370--0.96835.53
PI 34:1_iso-ME861371--0.83835.53
MaltohexaoseMaltohexaoseME861345--6.11989.32


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-Heneicosanoyl-glycero-3-phosphoserine-ME861387--1.44566.3458
PE 16:0_18:2PE 16:0_18:2ME861393--4.82714.5070
PE(16:0/18:1)PE 16:0/18:1ME861397--5.29716.5225
PE 18:2_18:2PE 18:2/18:2ME861396--4.45738.5068
PE 18:1_18:2PE 18:1_18:2ME861395--4.87740.5225
PE 18:1_18:1PE 18:1/18:1ME861394--5.34742.5381
DGGA 16:0_18:2-ME861389--4.64767.5303
DGGA 16:0_18:1-ME861388--5.06769.5462
PE(20:1/18:1-2OH)-ME861400--4.67802.5592
PE(20:0/18:1-2OH)-ME861398--5.12804.5743
PS(18:1/18:2)PS 18:1/18:2ME861406--4.45806.4943
PS(18:2/18:0)PS 18:2/18:0*ME861407--4.87808.5095
PS(18:0/18:1)PS 18:0/18:1ME861405--5.34810.5251
PC(PGE1/P-16:0)-ME861392--4.48814.5594
PA(20:5-OH(5)/a-25:0)-ME861390--4.96817.5778
PE(20:1/PGF1alpha)-ME861401--4.32826.5587
PE(20:0/PGF1alpha)-ME861399--4.72828.5744
PS(24:1/15:0)PS 24:1/15:0*ME861410--5.18830.5895
PI 16:0_18:2PI 16:0_18:2ME861404--4.16833.5172
SM(d18:2/TXB2)-ME861411--4.64835.5186
PI 16:0_18:1PI 16:0_18:1ME861403--4.54835.5325
PE(TXB2/22:1)-ME861402--4.97868.5746
PC(18:1/TXB2)-ME861391--4.32894.5456
PS(22:1/18:1-2OH)-ME861409--4.73896.5612
PS(22:0/18:1-2OH)-ME861408--5.18898.5764


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