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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-HydroxycholesterolME626982--12.46385.345576
2-piperidinone2-PiperidinoneME626898--3.06100.075176
3-hydroxyphenyl-valerate3-Hydroxyphenyl valeric acidME626920--9.21195.101976
3-indolepropionate3-Indolepropionic acidME626918--6.68190.085576
5-hydroxy-L-tryptophan5-Hydroxy-tryptophanME626928--2.31221.090976
5'-methylthioadenosine5'-MethylthioadenosineME626959--3.98298.096776
alanineAlanineME626897--0.790.055276
azelaateAzelaic acidME626917--6.72189.111876
benzylbutylphthalateBenzyl butyl phthalateME626965--10.24313.143676
biliverdinBiliverdinME627011--9.36583.254976
bis(2-ethylhexyl)phthalateBis(2-ethylhexyl)phthalateME626983--11.92391.284676
Car(10:0)CAR 10:0ME626967--7.98316.247876
Car(10:0-OH)CAR 10:0;OHME626970--7.2332.242776
Car(10:1)CAR 10:1ME626966--7.52314.232176
Car(11:0)CAR 11:0ME626968--8.44330.263776
Car(12:0)CAR 12:0ME626972--8.84344.279176
Car(12:1)CAR 12:1ME626971--8.4342.263476
Car(14:0)CAR 14:0ME626980--9.48372.310976
Car(14:1)CAR 14:1ME626979--9.18370.295876
Car(14:2)CAR 14:2ME626977--8.81368.278976
Car(16:0)CAR 16:0ME626987--9.96400.342876
Car(16:1)CAR 16:1ME626986--9.67398.326376
Car(16:2)CAR 16:2ME626985--9.37396.310476
Car(16:3)CAR 16:3ME626984--9.19394.295776
Car(18:0)CAR 18:0ME626990--10.34428.374076
Car(18:1)CAR 18:1ME626989--10.08426.358376
Car(18:2)CAR 18:2ME626988--9.84424.343076
Car(2:0)CAR 2:0ME626922--1.11204.123476
Car(20:0)CAR 20:0ME626991--10.63456.404176
Car(3:0)CAR 3:0ME626926--2.24218.138576
Car(3:0, 2-CH3)CAR 3:0;2MeME626933--3.07232.154276
Car(4:0)CAR 4:0ME626934--3.14232.154576
Car(4:0,3-CH3)CAR 4:0;3MeME626937--3.92246.169876
Car(4:0-OH)CAR 4:0;OHME626940--1.88248.145476
Car(5:0)CAR 5:0ME626939--3.99246.169876
Car(5:0) isomersCAR 5:0ME626938--3.99246.169876
Car(5:0-OH)CAR 5:0;OHME626946--2.56262.165176
Car(5:1)CAR 5:1ME626935--3.72244.154076
Car(6:0)CAR 6:0ME626943--5.05260.185776
Car(8:0)CAR 8:0ME626957--6.76288.216676
Car(8:0-OH)CAR 8:0;OHME626963--5.64304.211676
Car(8:1)CAR 8:1ME626956--6.1286.200876
carnitineCarnitineME626913--0.78162.112776
cholesterolCholesterolME626978--13.56369.351776
citrateCitric acidME626919--1.07193.034376
cortisolCortisolME626975--7.89363.215176
creatineCreatineME626905--0.7132.077276
deoxyguanosineDeoxyguanosineME626948--2.44268.104276
DG(18:1_18:1)DG 18:1_18:1ME627015--15.78621.545576
DG(32:0)DG 32:0ME627010--15.27569.514076
DG(32:1)DG 32:1ME627009--14.42567.498176
DG(34:1)DG 34:1ME627013--15.52595.530576
DG(34:2)DG 34:2ME627012--14.75593.514976
DG(36:3)DG 36:3ME627014--14.98619.530676
diethylphthalateDiethyl phthalateME626929--8.13223.095176
dimethylglycineDimethylglycineME626899--0.75104.072876
FA(12:0-NH2)Aminododecanoic acidME626925--8.05216.195076
FA(16:1)Hexadecenoic acidME626941--11.11255.231576
FA(18:1)Octadecenoic acidME626954--11.63283.262876
FA(18:2)Octadecadienoic acidME626952--11.51281.243276
gamma-glutamylisoleucinegamma-GlutamylisoleucineME626944--4.19261.143276
gamma-glutamylleucinegamma-GlutamylleucineME626945--4.19261.143276
glucoseGlucoseME626916--0.77181.071076
Glu-PheGlu-PheME626958--4.38295.127876
glutamineGlutamineME626911--0.63147.076576
glycocholateGlycocholic acidME626992--9.58466.315976
GMPGMPME626976--1.27364.067676
guanosineGuanosineME626955--2.48284.098176
hypoxanthineHypoxanthineME626909--1.28137.046476
Ile-ProIle-ProME626930--1.78229.155276
Ile-ValIle-ValME626932--3.68231.169976
inosineInosineME626949--2.47269.088076
IsoleucineIsoleucineME626906--1.87132.101576
kynurenineKynurenineME626924--2.7209.091676
leucineLeucineME626908--1.98132.101776
leucine+ isoleucineLeucine/IsoleucineME626907--1.98132.101776
Leu-ProLeu-ProME626931--2.05229.155276
LPC(14:0)LPC 14:0ME626993--10.57468.307976
LPC(15:0)LPC 15:0ME626995--10.84482.323776
LPC(16:0)_a_bLPC 16:0ME626998--11.06496.340376
LPC(16:0)_bLPC 16:0ME626999--11.06496.340676
LPC(16:1)_a_bLPC 16:1ME626997--10.73494.323776
LPC(17:0)_a_bLPC 17:0ME627000--11.25510.355676
LPC(18:1)_bLPC 18:1ME627003--11.17522.356376
LPC(18:2)_a_bLPC 18:2ME627002--10.91520.340476
LPC(18:2)_bLPC 18:2ME627001--10.91520.340376
LPC(20:0)LPC 20:0ME627008--11.75552.402076
LPC(20:3)_a_bLPC 20:3ME627006--11.41546.354176
LPC(20:3)_bLPC 20:3ME627007--11.41546.354276
LPC(20:4)_a_bLPC 20:4ME627004--10.92544.340476
LPC(20:4)_bLPC 20:4ME627005--10.92544.340476
LPE(18:0)_bLPE 18:0ME626996--11.45482.324376
LPE(18:2)_bLPE 18:2ME626994--10.94478.292476
lysineLysineME626912--0.52147.110376
MG(14:0)MG 14:0ME626962--10.99303.251876
MG(16:0)MG 16:0ME626969--11.4331.284776
MG(18:1)_a_bMG 18:1ME626973--11.49357.299776
MG(18:1)_bMG 18:1ME626974--11.49357.299876
monoethylhexyl phthalateMonoethylhexyl phthalic acidME626951--10.29279.159176
N-acetylneuraminateN-Acetylneuraminic acidME626964--0.8310.112476
niacinamideNiacinamideME626902--1.38123.055676
N-undecanoylglycineNAGly 11:0ME626936--8.45244.190476
oleamideOleamideME626953--11.4282.278476
pantothenatePantothenic acidME626927--3.44220.118176
PC(28:0)PC 28:0ME627016--12.57678.505476
PC(30:0)PC 30:0ME627018--12.96706.538876
PC(32:0)PC 32:0ME627023--13.55734.571176
PC(32:1)PC 32:1ME627022--13.09732.555476
PC(32:2)PC 32:2ME627020--12.75730.538976
PC(33:2)PC 33:2ME627024--12.99744.553076
PC(34:1)PC 34:1ME627029--13.69760.586776
PC(34:2)PC 34:2ME627027--13.29758.571176
PC(34:3)PC 34:3ME627026--12.86756.554876
PC(34:4)PC 34:4ME627025--12.72754.539076
PC(35:2)PC 35:2ME627030--13.58772.589976
PC(36:2)PC 36:2ME627033--13.96786.602276
PC(36:3)PC 36:3ME627032--13.4784.586576
PC(36:4)PC 36:4ME627031--13.19782.570676
PC(38:6)PC 38:6ME627035--13.11806.571176
PC(40:6)PC 40:6ME627039--13.79834.602576
PC(40:8)PC 40:8ME627038--13.35830.567976
phenylalaninePhenylalanineME626914--2.95166.085976
pipecolatePipecolic acidME626904--1.01130.086176
prolineProlineME626900--0.71116.071676
Pro-PhePro-PheME626947--4.7263.139776
pyroglutamatePyroglutamic acidME626903--1.22130.049876
SM(d34:2)SM 34:2;O2ME627017--12.57701.559776
SM(d36:1)SM 36:1;O2ME627021--13.47731.607776
SM(d36:2)SM 36:2;O2ME627019--13.05729.591076
SM(d38:1)SM 38:1;O2ME627028--14.22759.636476
SM(d40:1)SM 40:1;O2ME627034--15.23787.668476
SM(d42:1)SM 42:1;O2ME627037--16.6815.699676
SM(d42:2)SM 42:2;O2ME627036--15.36813.684776
sn-glycero-3-phosphocholinesn-Glycero-3-phosphocholineME626942--0.77258.110176
spermidineSpermidineME626910--0.51146.165176
spermineSpermineME626921--0.52203.223076
sphinganine (C16)C16 SphinganineME626950--8.48274.274576
sphinganine (C18)SphinganineME626961--9.74302.304876
sphingosine-1P (C18)Sphingosine 1-phosphateME626981--10.68380.255776
sphingosine (C18)SphingosineME626960--9.6300.289476
tryptophanTryptophanME626923--3.63205.097076
urateUric acidME626915--1.26169.035376
valineValineME626901--0.79118.086976


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