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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-cholesterol (-H2O)25-HydroxycholesterolME628311--12.45385.345576
2-acetylpyrrolidine2-AcetylpyrrolidineME628224--4.18114.091776
2-piperidinone2-PiperidinoneME628222--3.06100.075176
3-hydroxyphenyl-valerate3-Hydroxyphenyl valeric acidME628247--9.21195.101776
3-indolepropionate3-Indolepropionic acidME628245--6.7190.085976
5-hydroxy-L-tryptophan5-Hydroxy-tryptophanME628255--2.33221.091476
5'-methylthioadenosine5'-MethylthioadenosineME628286--3.99298.096976
alpha-tocopherolalpha-TocopherolME628320--13.42431.387976
benzylbutylphthalateBenzyl butyl phthalateME628294--10.24313.143676
biliverdinBiliverdinME628340--9.35583.254676
bis(2-ethylhexyl)phthalateBis(2-ethylhexyl)phthalateME628312--11.91391.284676
Car(10:0)CAR 10:0ME628296--8316.248676
Car(10:0-OH)CAR 10:0;OHME628299--7.23332.242876
Car(10:1)CAR 10:1ME628295--7.55314.232376
Car(11:0)CAR 11:0ME628297--8.46330.263476
Car(12:0)CAR 12:0ME628301--8.86344.279476
Car(12:1)CAR 12:1ME628300--8.41342.263976
Car(14:0)CAR 14:0ME628309--9.5372.311376
Car(14:1)CAR 14:1ME628308--9.2370.294876
Car(14:2)CAR 14:2ME628306--8.83368.278976
Car(16:0)CAR 16:0ME628316--9.98400.342876
Car(16:1)CAR 16:1ME628315--9.69398.327176
Car(16:2)CAR 16:2ME628314--9.39396.311376
Car(16:3)CAR 16:3ME628313--9.21394.295876
Car(18:0)CAR 18:0ME628319--10.35428.374076
Car(18:1)CAR 18:1ME628318--10.1426.358676
Car(18:2)CAR 18:2ME628317--9.85424.342976
Car(2:0)CAR 2:0ME628249--1.12204.123576
Car(20:0)CAR 20:0ME628321--10.64456.405176
Car(3:0)CAR 3:0ME628253--2.25218.139076
Car(3:0, 2-CH3)CAR 3:0;2MeME628260--3.08232.154376
Car(4:0)CAR 4:0ME628261--3.16232.154676
Car(4:0,3-CH3)CAR 4:0;3MeME628267--3.92246.170276
Car(4:0-OH)CAR 4:0;OHME628268--1.9248.147776
Car(5:0)CAR 5:0ME628266--4.01246.170076
Car(5:0-OH)CAR 5:0;OHME628275--2.58262.165176
Car(5:1)CAR 5:1ME628263--3.74244.154076
Car(6:0)CAR 6:0ME628272--5.07260.186076
Car(8:0)CAR 8:0ME628284--6.79288.217276
Car(8:0-OH)CAR 8:0;OHME628291--5.66304.211476
Car(8:1)CAR 8:1ME628283--6.09286.200876
Car(9:0)CAR 9:0ME628288--7.3302.232176
carnitineCarnitineME628239--0.79162.112076
cholesterol (-H2O)CholesterolME628307--13.55369.351576
cholineCholineME628223--0.62104.107276
citrateCitric acidME628246--1.27193.034776
cortisolCortisolME628304--7.9363.215376
creatineCreatineME628229--0.7132.077376
cytidineCytidineME628262--1.02244.092476
deoxyguanosineDeoxyguanosineME628277--2.45268.104476
DG(18:1_18:1)DG 18:1_18:1ME628344--15.68621.545576
DG(32:0)DG 32:0ME628339--15.21569.513976
DG(32:1)DG 32:1ME628338--14.36567.497976
DG(34:1)DG 34:1ME628342--15.44595.530676
DG(34:2)DG 34:2ME628341--14.69593.515176
DG(36:3)DG 36:3ME628343--14.92619.530976
diethylphthalateDiethyl phthalateME628256--8.14223.095676
FA(12:0-NH2)Aminododecanoic acidME628252--8.06216.195476
FA(16:1)Hexadecenoic acidME628269--11.11255.232276
FA(18:1)Octadecenoic acidME628282--11.63283.262876
FA(18:2)Octadecadienoic acidME628280--11.3281.248776
FA(9:0-COOH)Azelaic acidME628244--6.73189.111876
gamma-glutamylisoleucinegamma-GlutamylisoleucineME628274--4.21261.144276
gamma-glutamylleucinegamma-GlutamylleucineME628273--4.21261.144276
gamma-glutamyltyrosinegamma-GlutamyltyrosineME628293--3.16311.123276
glucoseGlucoseME628243--0.8181.071376
Glu-PheGlu-PheME628285--4.4295.128276
glutamineGlutamineME628235--0.62147.076476
GMPGMPME628305--1.28364.064976
guanineGuanineME628238--1.28152.056776
hypoxanthineHypoxanthineME628233--1.32137.046576
Ile-ProIle-ProME628257--1.73229.152976
Ile-ValIle-ValME628259--3.7231.169776
IsoleucineIsoleucineME628230--1.89132.101676
kynurenineKynurenineME628251--2.72209.092276
leucineLeucineME628232--2132.101876
leucine+ isoleucineLeucine/IsoleucineME628231--2132.101776
Leu-IleLeu-IleME628265--4.92245.187376
Leu-ProLeu-ProME628258--1.94229.155176
LPC(14:0)LPC 14:0ME628322--10.57468.308276
LPC(15:0)_rp_aLPC 15:0ME628324--10.84482.323576
LPC(16:0)_a_bLPC 16:0ME628327--11.06496.340376
LPC(16:0)_rp_bLPC 16:0ME628328--11.06496.340576
LPC(16:1)_rp_a_bLPC 16:1ME628326--10.74494.324076
LPC(17:0)_rp_a_bLPC 17:0ME628329--11.26510.355776
LPC(18:1)_rp_bLPC 18:1ME628332--11.17522.356376
LPC(18:2)_rp_a_bLPC 18:2ME628330--10.91520.340376
LPC(18:2)_rp_bLPC 18:2ME628331--10.91520.340576
LPC(20:0)_rp_aLPC 20:0ME628337--11.75552.402476
LPC(20:3)_rp_a_bLPC 20:3ME628336--11.4546.354276
LPC(20:3)_rp_bLPC 20:3ME628335--11.41546.354176
LPC(20:4)_rp_a_bLPC 20:4ME628333--10.92544.340576
LPC(20:4)_rp_bLPC 20:4ME628334--10.92544.340576
LPE(18:0)_rp_bLPE 18:0ME628325--11.45482.324476
LPE(18:2)_rp_bLPE 18:2ME628323--10.94478.292576
lysineLysineME628236--0.52147.112576
methionineMethionineME628237--1.16150.056476
MG(14:0)_rp_aMG 14:0ME628290--10.99303.251976
MG(16:0)MG 16:0ME628298--11.39331.284876
MG(18:1)_rp_a_bMG 18:1ME628302--11.48357.300576
MG(18:1)_rp_bMG 18:1ME628303--11.48357.300576
monoethylhexyl phthalateMonoethylhexyl phthalic acidME628279--10.29279.159276
N-acetylneuraminateN-Acetylneuraminic acidME628292--0.72310.112976
niacinamideNiacinamideME628227--1.38123.055876
N-lauroylglycineNAGly 12:0ME628271--9.24258.206476
N-undecanoylglycineNAGly 11:0ME628264--8.46244.190476
oleamideOleamideME628281--11.39282.278276
pantothenatePantothenic acidME628254--3.46220.118376
PC(30:0)PC 30:0ME628347--13.02706.537576
PC(32:0)PC 32:0ME628353--13.53734.571276
PC(32:1)PC 32:1ME628352--13.06732.554876
PC(32:2)PC 32:2ME628350--12.74730.538676
PC(33:2)PC 33:2ME628354--12.99744.552376
PC(34:1)PC 34:1ME628359--13.64760.586876
PC(34:2)PC 34:2ME628357--13.25758.571276
PC(34:3)PC 34:3ME628356--12.84756.554076
PC(34:4)PC 34:4ME628355--12.7754.539576
PC(35:3)PC 35:3ME628360--12.86770.569776
PC(36:2)PC 36:2ME628363--13.92786.602476
PC(36:3)PC 36:3ME628362--13.36784.586576
PC(36:4)PC 36:4ME628361--13782.570876
PC(38:6)PC 38:6ME628365--13.1806.571376
PC(40:6)PC 40:6ME628369--13.73834.602576
PC(40:8)PC 40:8ME628368--13.31830.567576
phenylalaninePhenylalanineME628240--2.97166.084576
prolineProlineME628225--0.71116.071976
Pro-PhePro-PheME628276--4.58263.138076
pyridoxaminePyridoxamineME628242--0.55169.094376
pyroglutamatePyroglutamic acidME628228--1.5130.049976
SM(d32:1)SM 32:1;O2ME628345--12.45675.542576
SM(d34:2)SM 34:2;O2ME628346--12.55701.560176
SM(d35:1)SM 35:1;O2ME628348--13.15717.590076
SM(d36:1)SM 36:1;O2ME628351--13.43731.607576
SM(d36:2)SM 36:2;O2ME628349--13.02729.591276
SM(d38:1)SM 38:1;O2ME628358--14.18759.638076
SM(d40:1)SM 40:1;O2ME628364--15.17787.669076
SM(d42:1)SM 42:1;O2ME628367--16.51815.699776
SM(d42:2)SM 42:2;O2ME628366--15.29813.684476
sn-glycero-3-phosphocholinesn-Glycero-3-phosphocholineME628270--0.77258.109776
spermidineSpermidineME628234--0.51146.165176
spermineSpermineME628248--0.5203.222976
sphinganine (C16)C16 SphinganineME628278--8.51274.274476
sphinganine (C18)SphinganineME628289--9.77302.305076
sphingosine-1P (C18)Sphingosine 1-phosphateME628310--10.68380.255876
sphingosine (C18)SphingosineME628287--9.63300.289776
tryptophanTryptophanME628250--3.65205.097076
urateUric acidME628241--1.27169.035476
valineValineME628226--0.79118.086376


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