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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
25-hydroxy-cholesterol25-HydroxycholesterolME624266--12.41385.348776
2-acetylpyrrolidine2-AcetylpyrrolidineME624184--4.15114.091776
2-piperidinone2-PiperidinoneME624179--3.15100.074476
3-hydroxyphenyl-valerate3-Hydroxyphenyl valeric acidME624210--9.18195.101076
3-indolepropionate3-Indolepropionic acidME624207--6.66190.085976
3-methoxytyrosine3-MethoxytyrosineME624216--2.55212.091576
5'-methylthioadenosine5'-MethylthioadenosineME624249--3.95298.097376
alanineAlanineME624178--0.790.055176
alpha-tocopherolalpha-TocopherolME624276--13.36431.385576
aminobutyrateAminobutyric acidME624180--0.75104.070476
azelaateAzelaic acidME624205--6.69189.112276
benzylbutylphthalateBenzyl butyl phthalateME624252--10.23313.144176
bilirubinBilirubinME624294--7.88585.270676
biliverdinBiliverdinME624293--9.18583.255076
bis(2-ethylhexyl)phthalateBis(2-ethylhexyl)phthalateME624267--11.88391.286276
Car(10:0)CAR 10:0ME624254--7.97316.247976
Car(10:1)CAR 10:1ME624253--7.51314.232376
Car(12:0)CAR 12:0ME624257--8.84344.279576
Car(12:1)CAR 12:1ME624256--8.44342.262676
Car(14:0)CAR 14:0ME624264--9.49372.311276
Car(14:1)CAR 14:1ME624263--9.18370.295476
Car(14:2)CAR 14:2ME624261--8.81368.279476
Car(16:0)CAR 16:0ME624272--9.98400.343476
Car(16:1)CAR 16:1ME624271--9.67398.326676
Car(16:2)CAR 16:2ME624270--9.37396.310676
Car(16:3)CAR 16:3ME624269--9.18394.295076
Car(18:0)CAR 18:0ME624275--10.35428.374576
Car(18:1)CAR 18:1ME624274--10.09426.358976
Car(18:2)CAR 18:2ME624273--9.85424.343276
Car(2:0)CAR 2:0ME624212--1.09204.123276
Car(20:0)CAR 20:0ME624278--10.64456.404776
Car(3:0)CAR 3:0ME624217--2.2218.138876
Car(3:0, 2-CH3)CAR 3:0;2MeME624222--3.04232.154376
Car(4:0)CAR 4:0ME624223--3.11232.154776
Car(4:0,3-CH3)CAR 4:0;3MeME624230--3.89246.170176
Car(5:0)CAR 5:0ME624229--3.95246.170076
Car(5:0) isomersCAR 5:0ME624228--3.95246.170076
Car(5:0-OH)CAR 5:0;OHME624236--2.53262.164576
Car(5:1)CAR 5:1ME624225--3.69244.154076
Car(6:0)CAR 6:0ME624233--5.01260.185676
Car(8:0)CAR 8:0ME624246--6.74288.216776
Car(8:1)CAR 8:1ME624245--6.04286.200176
carnitineCarnitineME624197--0.77162.112576
cholesterolCholesterolME624262--13.45369.352076
cholineCholineME624182--0.63104.107476
citrateCitric acidME624209--1.25193.034176
cortisolCortisolME624260--7.87363.215876
cytidineCytidineME624224--0.97244.092276
deoxycholateDeoxycholic acidME624268--10.6393.299976
deoxyguanosineDeoxyguanosineME624237--2.41268.103576
DG(18:1_18:1)DG 18:1_18:1ME624298--15.57621.546976
DG(34:1)DG 34:1ME624296--15.31595.530876
DG(34:2)DG 34:2ME624295--14.57593.515576
DG(36:3)DG 36:3ME624297--14.79619.531776
diethylphthalateDiethyl phthalateME624219--8.11223.098276
dimethylglycineDimethylglycineME624181--0.75104.070476
edetateEdetic acidME624247--0.77293.098876
FA(16:1)Hexadecenoic acidME624231--11.21255.230176
FA(18:1)Octadecenoic acidME624244--11.61283.263276
FA(18:2)Octadecadienoic acidME624242--11.5281.243976
gamma-glutamylisoleucinegamma-GlutamylisoleucineME624234--4261.144176
gamma-glutamylleucinegamma-GlutamylleucineME624235--4.16261.144376
glucoseGlucoseME624204--0.94181.069976
Glu-PheGlu-PheME624248--4.36295.128576
glutamineGlutamineME624194--0.63147.076276
glycochenodeoxycholateGlycochenodeoxycholic acidME624277--10.18450.320576
glycocholateGlycocholic acidME624279--9.54466.317176
hippurateHippuric acidME624203--4.34180.065676
hypoxanthineHypoxanthineME624193--1.66137.047676
Ile-ProIle-ProME624220--1.7229.150976
indole-3-lactateIndolelactic acidME624214--5.48206.080976
indole-3-methyl acetateIndole-3-methyl acetateME624206--7.1190.085776
indoleacetateIndoleacetic acidME624201--5.92176.070476
inosineInosineME624238--2.46269.085076
IsoleucineIsoleucineME624190--1.8132.101576
kynurenineKynurenineME624215--2.68209.092076
leucineLeucineME624192--1.91132.101876
leucine+ isoleucineLeucine/IsoleucineME624191--1.91132.101776
Leu-ProLeu-ProME624221--2.06229.154576
LPC(14:0)LPC 14:0ME624280--10.55468.309876
LPC(15:0)LPC 15:0ME624282--10.83482.325076
LPC(16:1)_a_bLPC 16:1ME624283--10.72494.325576
LPC(17:0)_a_bLPC 17:0ME624284--11.25510.354776
LPC(18:1)_bLPC 18:1ME624287--11.16522.355676
LPC(18:2)_a_bLPC 18:2ME624286--10.78520.338676
LPC(18:2)_bLPC 18:2ME624285--10.88520.336776
LPC(20:0)LPC 20:0ME624292--11.74552.403976
LPC(20:3)_a_bLPC 20:3ME624291--11.46546.355276
LPC(20:3)_bLPC 20:3ME624290--11.47546.354776
LPC(20:4)_a_bLPC 20:4ME624289--10.81544.338976
LPC(20:4)_bLPC 20:4ME624288--10.88544.337776
LPE(18:0)_bLPE 18:0ME624281--11.45482.324876
methionineMethionineME624195--1.12150.056676
MG(16:0)MG 16:0ME624255--11.38331.284676
MG(18:1)_a_bMG 18:1ME624258--11.47357.299876
MG(18:1)_bMG 18:1ME624259--11.47357.299876
monoethylhexyl phthalateMonoethylhexyl phthalic acidME624241--10.27279.159376
N-acetylleucineN-AcetylleucineME624199--5.27174.114076
N-acetylmethionineN-AcetylmethionineME624208--3.93192.067376
N-gammaglutamylmethionineN-gamma-GlutamylmethionineME624240--2.82279.102676
niacinamideNiacinamideME624187--1.36123.055676
N-undecanoylglycineNAGly 11:0ME624226--8.43244.190176
oleamideOleamideME624243--11.38282.278676
pantothenatePantothenic acidME624218--3.42220.118076
PC(30:0)PC 30:0ME624301--12.99706.539976
PC(32:0)PC 32:0ME624308--13.47734.572376
PC(32:1)PC 32:1ME624307--13.03732.556576
PC(32:2)PC 32:2ME624305--12.72730.540776
PC(33:2)PC 33:2ME624309--12.95744.555676
PC(34:1)PC 34:1ME624314--13.61760.587976
PC(34:2)PC 34:2ME624312--13.22758.572376
PC(34:3)PC 34:3ME624311--12.94756.555576
PC(34:4)PC 34:4ME624310--12.68754.540376
PC(35:2)PC 35:2ME624316--13.5772.587676
PC(35:3)PC 35:3ME624315--13.04770.567276
PC(36:2)PC 36:2ME624321--13.87786.603576
PC(36:3)PC 36:3ME624319--13.33784.587876
PC(36:4)PC 36:4ME624318--13.12782.572576
PC(38:6)PC 38:6ME624323--13.08806.572476
PC(40:6)PC 40:6ME624327--13.69834.603776
PC(40:8)PC 40:8ME624326--13.28830.568976
pipecolatePipecolic acidME624189--1.02130.086176
prolineProlineME624185--0.71116.071776
pyroglutamatePyroglutamic acidME624188--1.47130.049976
S-allylcysteineS-AllylcysteineME624196--2.4162.058676
sebacateSebacic acidME624211--7.79203.127976
serotoninSerotoninME624202--2.36177.102076
SM(d32:1)SM 32:1;O2ME624299--12.43675.545676
SM(d34:2)SM 34:2;O2ME624300--12.53701.561876
SM(d35:1)SM 35:1;O2ME624302--13.1717.589576
SM(d36:1)SM 36:1;O2ME624306--13.39731.607776
SM(d36:2)SM 36:2;O2ME624304--12.99729.592376
SM(d36:3)SM 36:3;O2ME624303--12.64727.572876
SM(d38:1)SM 38:1;O2ME624313--14.1759.637276
SM(d40:1)SM 40:1;O2ME624322--15.07787.671176
SM(d40:2)SM 40:2;O2ME624320--14.23785.653676
SM(d42:1)SM 42:1;O2ME624325--16.37815.702676
SM(d42:2)SM 42:2;O2ME624324--15.19813.687276
sn-glycero-3-phosphocholinesn-Glycero-3-phosphocholineME624232--0.86258.109776
sphinganine (C16)C16 SphinganineME624239--8.5274.274276
sphinganine (C18)SphinganineME624251--9.8302.305076
sphingosine-1P (C18)Sphingosine 1-phosphateME624265--10.65380.256676
sphingosine (C18)SphingosineME624250--9.66300.289376
suberateSuberic acidME624200--5.82175.095676
thyroxineThyroxineME624317--8.45777.692576
tryptophanTryptophanME624213--3.6205.097676
uracilUracilME624183--1.85113.034476
urateUric acidME624198--1.25169.035476
uridineUridineME624227--1.83245.076376
valineValineME624186--0.99118.086276


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