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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
2-aminoadipatealpha-Aminoadipic acidME7338776992111---
2-hydroxyglutarate2-Hydroxyglutaric acidME73387843C02630--
3-methyladipate_pimelate-ME7338796999745---
4-pyridoxate4-Pyridoxic acidME7338806723C00847--
adenosine_monophosphate_(AMP)AMPME7338816083C00020--
alpha-hydroxybutyrate2-Hydroxybutyric acidME733882129763027---
cytidineCytidineME7338836175C00475--
dihydroxyacetone_phosphate_(DHAP)Dihydroxyacetone phosphateME733884668C00184--
fructose_glucose_galactoseHexoseME733885----
fumarate_maleateFumaric acidME733886----
glycocholateGlycocholic acidME73388710140C01921--
glycodeoxycholate_glycochenodeoxycholate-ME7338883035026---
hexose_monophosphate_(F1P_F6P_G1P_G6P)-ME733889-C00159--
hippurateHippuric acidME733890516953C01586--
hydroxyphenylacetateHydroxyphenyl acetateME733891----
indole-3-propionate3-Indolepropionic acidME733892134324---
indoleacetateIndoleacetic acidME733893802C00954--
inosineInosineME7338946021C00294--
inositolInositolME733895892---
isocitrateIsocitric acidME7338965460172C00311--
kynurenineKynurenineME733897846C01718--
lactateLactic acidME73389891435C01432--
lactoseLactoseME733899440995C01970--
malateMalic acidME733900160434C00711--
methylmalonateMethylmalonic acidME733901487C02170--
ribose-5-phosphate_ribulose-5-phosphate-ME733902439184C00121--
sorbitolSorbitolME7339035780C00794--
succinateSuccinic acidME733904160419C00042--
taurocholateTaurocholic acidME7339056675---
urateUric acidME7339061175C00366--
uridineUridineME7339076029C00299--
xanthineXanthineME7339081188C00385--
xanthurenateXanthurenic acidME73390953481609C02470--


Analysis: HILIC POSITIVE ION MODE

SelectMetabolite Name RefMet Name/Standardized Name* WorkBench
Metabolite_ID		 PubChem
Compound_ID		 Kegg Id Retention
time/index		 m/z ratio
3-Hydroxy-hexanoyl-carnitineCAR 6:0;3OHME73395753481624---
3-Hydroxy-linoleyl-carnitineCAR 18:2;OHME73397071464556---
3-Methylglutaryl-carnitineCAR DC5:0;3MeME733961128145---
Acetyl-carnitineCAR 2:0ME73395318230---
acetylcholineAcetylcholineME733910187C01996--
alanineAlanineME7339115950C00041--
allantoin_TAllantoinME733912204C01551--
alpha-glycerophosphocholinesn-Glycero-3-phosphocholineME733913657272D07349--
anthranilic_acid2-Aminobenzoic acidME733914227C00108--
arginineArginineME73391528782C00062--
asparagineAsparagineME7339166267C00152--
betaineBetaineME733917247C00719--
Butyryl-carnitineCAR 4:0ME733956213144---
carnitineCarnitineME73391810917C00318--
cholineCholineME733919305C00114--
cis trans_hydroxyproline-ME7339205810C01157--
citrullineCitrullineME7339216992098C00327--
creatineCreatineME733922586C00300--
creatinineCreatinineME733923588C00791--
Decenoyl-carnitineCAR 10:1ME73396271464497---
dimethylglycineDimethylglycineME733924673C01026--
dimethyl-L-arginine_ADMA-ME73392528782C00062--
glutamateGlutamic acidME73392633032C00025--
glutamineGlutamineME7339275961C00064--
Glutaryl-carnitineCAR DC5:0ME733958----
glycine_TGlycineME7339285257127C00037--
histidineHistidineME7339296274C00135--
Isobutyryl-carnitineCAR 3:0;2MeME733955168379---
isoleucineIsoleucineME7339306306C00407--
kynurenic_acidKynurenic acidME7339313845C01717--
Lauroyl-carnitineCAR 12:0ME733963168381---
leucineLeucineME7339326106C00123--
Linoleyl-carnitineCAR 18:2ME73396751000598---
lysineLysineME7339335962C00047--
methionine_TMethionineME7339345255805C01733--
Myristoyl-carnitineCAR 14:0ME73396453477791---
N-carbamoyl-beta-alanineUreidopropionic acidME733935111C02642--
niacinamideNiacinamideME733936936C00153--
N-monomethyl-L-arginine_NMMA-ME73393728782C00062--
Octanoyl-carnitineCAR 8:0ME73396070679121---
Octenoyl-carnitineCAR 8:1ME73395970679121---
Oleyl-carnitineCAR 18:1ME7339686441392---
ornithineOrnithineME7339386262C00077--
Palmitoleoyl-carnitineCAR 16:1ME73396571464547---
Palmitoyl-carnitineCAR 16:0ME73396611953816---
phenylalanine_TPhenylalanineME7339396140C00079--
prolineProlineME733940145742C00148--
Propionyl-carnitineCAR 3:0ME733954188824---
serineSerineME7339415951C00065--
serotoninSerotoninME7339425202C00780--
Stearoyl-carnitineCAR 18:0ME73396952922056---
symmetrical_dimethylarginine_SDMA-ME73394317801140---
taurineTaurineME7339441123C00245--
threonineThreonineME7339456288C00188--
thyroxineThyroxineME73394625201348C01829--
triiodothyronineLiothyronineME7339475920C02465--
trimethylamine-N-oxideTrimethylamine N-oxideME7339481145C01104--
tryptophan_TTryptophanME7339496305C00078--
tyrosine_TTyrosineME7339506057C00082--
valine_TValineME7339516287C00183--
xanthosineXanthosineME73395264959C01762--


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
C14:0 LPCLPC 14:0ME733986460604---
C14:0 SMSM 18:1;O2/14:0ME73399744260138---
C16:0 LPCLPC 16:0ME733987460602---
C16:1 CE Na+CE 16:1ME73401022833543---
C16:1 SMSM 18:1;O2/16:1ME7339989939941---
C18:0 LPCLPC 18:0ME733990497299---
C18:1 LPCLPC 18:1ME73398916081932---
C18:1 LPELPE 18:1ME7339959547071---
C18:1 SMSM 18:1;O2/18:1ME7340006453725---
C18:2 CE Na+CE 18:2ME7340115287939---
C18:2 LPCLPC 18:2ME73398811005824---
C18:2 LPELPE 18:2ME73399452925130---
C18:2 SMSM 18:1;O2/18:2ME7339996443882---
C20:0 SMSM 18:1;O2/20:0ME73400144260124---
C20:3 CE Na+CE 20:3ME73401253477892---
C20:4 LPCLPC 20:4ME73399153480469---
C20:5 CE NH4+CE 20:5ME73400853477889---
C22:0 SMSM 18:1;O2/22:0ME73400344260125---
C22:1 SMSM 18:1;O2/22:1ME73400252931201---
C22:6 CE NH4+CE 22:6ME73400914274978---
C22:6 LPELPE 22:6ME73399652925132---
C23:0 SMSM 18:1;O2/23:0ME73400553481364---
C23:1 SMSM 18:1;O2/23:1ME73400446891684---
C24:0 SMSM 18:1;O2/24:0ME73400744260134---
C24:1 SMSM 18:1;O2/24:1ME73400652931217---
C32:0 PCPC 32:0ME733973452110---
C32:1 PCPC 32:1ME7339726443788---
C32:2 PCPC 32:2ME73397124778764---
C34:1 PCPC 34:1ME7339755497103---
C34:2 PCPC 34:2ME7339745287971---
C36:0 PEPE 36:0ME73399352924864---
C36:1 PCPC 36:1ME73398024778825---
C36:1 PEPE 36:1ME7339929546734---
C36:2 PCPC 36:2ME73397910350317---
C36:3 PCPC 36:3ME73397824778937---
C36:4 PC-APC 36:4ME73397610747814---
C36:4 PC-BPC 36:4ME73397710747814---
C38:3 PCPC 38:3ME73398452922741---
C38:4 PCPC 38:4ME73398316219824---
C38:5 PCPC 38:5ME73398252923235---
C38:6 PCPC 38:6ME73398152923295---
C40:6 PCPC 40:6ME73398524778900---
C44:0 TAG NH4+TG 44:0ME73401314169768---
C46:0 TAG NH4+TG 46:0ME7340144099879---
C48:0 TAG NH4+TG 48:0ME73401711147---
C48:1 TAG NH4+TG 48:1ME7340169543986---
C48:2 TAG NH4+TG 48:2ME7340159543987---
C50:3 TAG NH4+TG 50:3ME73401925240357---
C50:4 TAG NH4+TG 50:4ME73401825240359---
C52:2 TAG NH4+TG 52:2ME73402056938176---
C54:6 TAG NH4+TG 54:6ME7340215322095---


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