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Analysis: Reversed phase UNSPECIFIED ION MODE

SelectMetabolite Name RefMet Name/Standardized Name* WorkBench
Metabolite_ID		 PubChem
Compound_ID		 Kegg Id Retention
time/index		 m/z ratio
11(Z),14(Z),17(Z)-Eicosatrienoic acidETrE(11Z,14Z,17Z)ME475750----
16-Hydroxyhexadecanoic acidJuniperic acidME475723----
2,4-Quinolinediol-ME475752----
2-Furoic acid2-Furoic acidME475728----
2-Hydroxyhippuric acidSalicyluric acidME475699----
(2R)-2,3-Dihydroxypropanoic acidGlyceric acidME475755----
3,4-Dimethylbenzoic acid3,4-Dimethylbenzoic acidME475720----
3-Hydroxybutyric acid3-Hydroxybutyric acidME475713----
3-Hydroxybutyric acid isomer-ME475716----
3-Hydroxy-L-prolinecis-3-HydroxyprolineME475689----
3-Indoxyl sulphateIndoxyl sulfateME475724----
3-Methylhistidine3-MethylhistidineME475753----
4-Hydroxybutyric acid (GHB)-ME475744----
4-MethylphenolP-CresolME475731----
4-Oxoproline4-Oxo-prolineME475739----
4-Pyridoxic acid4-Pyridoxic acidME475701----
6-Hydroxycaproic acid6-Hydroxycaproic acidME475733----
Acrylic acidAcrylic acidME475688----
Adipic acidAdipic acidME475709----
Arachidonic acidArachidonic acidME475721----
Azelaic acidAzelaic acidME475710----
Benzoic acidBenzoic acidME475749----
Caprylic acidCaprylic acidME475729----
Cer(d18:0/17:0)Cer 18:0;O2/17:0ME475472----
Cer(d18:0/24:0)Cer 18:0;O2/24:0ME475473----
Cer(d34:1)Cer 34:1;O2ME475474----
Cer(d36:1)Cer 36:1;O2ME475475----
Cer(d38:1)Cer 38:1;O2ME475476----
CerG2(d18:1/16:0)Hex2Cer 18:1;O2/16:0ME475477----
ChE(16:0)CE 16:0ME475478----
ChE(16:1)CE 16:1ME475479----
ChE(18:1)CE 18:1ME475480----
ChE(18:2)CE 18:2ME475481----
ChE(18:3)CE 18:3ME475482----
ChE(20:2)CE 20:2ME475483----
ChE(20:3)CE 20:3ME475484----
ChE(20:4)CE 20:4ME475485----
ChE(22:5)CE 22:5ME475486----
ChE(22:6)CE 22:6ME475487----
CinnamoylglycineCinnamoylglycineME475734----
Citric acidCitric acidME475706----
DG(18:0/16:0)DG 16:0_18:0ME475488----
DG(18:0/18:0)DG 18:0_18:0ME475489----
DG(18:0/18:1)DG 18:0_18:1ME475490----
DG(18:0/18:2)DG 18:0_18:2ME475491----
DG(18:0/20:0)DG 18:0_20:0ME475492----
DG(18:2/18:2)DG 18:2_18:2ME475493----
DG(20:0/16:0)DG 16:0_20:0ME475494----
DG(37:0)DG 37:0ME475495----
DG(41:0)DG 41:0ME475496----
D-α-Hydroxyglutaric acidHydroxyglutaric acidME475743----
DL-AlanineAlanineME475747----
DL-Aspartic acid isomer-ME475738----
DL-Lactic Acid-ME475695----
DL-Malic acidMalic acidME475703----
D-(-)-MannitolMannitolME475712----
D-(-)-Quinic acidQuinic acidME475741----
D-(+)-TryptophanD-TryptophanME475704----
Ethyl myristateEthyl tetradecanoateME475719----
Gentisic acidGentisic acidME475715----
Gluconic acidGluconic acidME475698----
GlycineGlycineME475690----
Glyoxylic acidGlyoxylic acidME475697----
Heptanoic acidHeptylic acidME475740----
β-Alaninebeta-AlanineME475692----
β-D-Glucopyranuronic acid-ME475707----
Î¥-Aminobutyric acid (GABA)-ME475705----
α-Eleostearic acid-ME475722----
Isophthalic acid-ME475702----
L-Glutamic acidGlutamic acidME475754----
Linoleic acidLinoleic acidME475691----
L-(+)-Lactic acidLactic acidME475700----
LPC(14:0)LPC 14:0ME475497----
LPC(14:0p)LPC P-14:0ME475498----
LPC(15:0)LPC 15:0ME475499----
LPC(16:0)LPC 16:0ME475500----
LPC(16:1)LPC 16:1ME475501----
LPC(17:0)LPC 17:0ME475502----
LPC(18:0)LPC 18:0ME475503----
LPC(18:1)LPC 18:1ME475504----
LPC(18:2)LPC 18:2ME475505----
LPC(18:3)LPC 18:3ME475506----
LPC(20:3)LPC 20:3ME475507----
LPC(20:4)LPC 20:4ME475508----
LPC(20:5)LPC 20:5ME475509----
LPC(22:3)LPC 22:3ME475510----
LPC(22:4)LPC 22:4ME475511----
LPC(22:5)LPC 22:5ME475512----
LPC(22:6)LPC 22:6ME475513----
LPE(18:2)LPE 18:2ME475514----
L-PhenylalaninePhenylalanineME475711----
L-TyrosineTyrosineME475696----
MG(18:0)MG 18:0ME475515----
MG(18:2)MG 18:2ME475516----
Myristyl sulfate-ME475727----
N-AcetylglycineN-AcetylglycineME475693----
N-AcetylornithineN-AcetylornithineME475746----
N-AcetylvalineN-AcetylvalineME475745----
N-IsovalerylglycineIsovalerylglycineME475714----
Nitrilotriacetic acidNitrilotriacetic acidME475694----
Oleic acidOleic acidME475718----
OrnithineOrnithineME475726----
Ornithine isomer-ME475732----
Palmitoleic acidPalmitoleic acidME475708----
Pantothenic acidPantothenic acidME475725----
PC(12:0/22:2)PC 12:0/22:2*ME475517----
PC(12:0e/8:0)PC O-12:0/8:0*ME475518----
PC(14:0e/18:2)PC O-14:0/18:2ME475519----
PC(14:0e/20:4)PC O-14:0/20:4ME475520----
PC(14:0e/22:4)PC O-14:0/22:4ME475521----
PC(14:0p/20:4)PC P-14:0/20:4ME475522----
PC(14:0p/20:5)PC P-14:0/20:5ME475523----
PC(15:0/18:2)PC 15:0/18:2ME475524----
PC(16:0/20:5)PC 16:0/20:5ME475525----
PC(16:0e/20:5)PC O-16:0/20:5ME475526----
PC(16:0p/20:1)PC P-16:0/20:1ME475527----
PC(16:1/20:3)PC 16:1/20:3*ME475528----
PC(16:1p/16:0)PC P-16:1/16:0ME475529----
PC(16:1p/18:0)PC P-16:1/18:0ME475530----
PC(17:0/20:3)PC 17:0/20:3ME475531----
PC(18:0/20:1)PC 18:0/20:1ME475532----
PC(18:0/20:3)PC 18:0/20:3ME475533----
PC(18:0/20:4)PC 18:0/20:4ME475534----
PC(18:0/20:5)PC 18:0/20:5ME475535----
PC(18:0p/18:2)PC P-18:0/18:2ME475536----
PC(18:0p/20:4)PC P-18:0/20:4ME475537----
PC(18:1/18:3)PC 18:1/18:3ME475538----
PC(18:1/20:4)PC 18:1/20:4ME475539----
PC(18:1/22:5)PC 18:1/22:5ME475540----
PC(18:2/13:0)PC 18:2/13:0*ME475541----
PC(18:4/22:1)PC 18:4/22:1*ME475542----
PC(19:2)PC 19:2ME475543----
PC(20:3/18:2)PC 20:3/18:2*ME475544----
PC(20:3/20:3)PC 20:3/20:3ME475545----
PC(20:5/18:2)PC 20:5/18:2*ME475546----
PC(21:0/12:1)PC 21:0/12:1*ME475547----
PC(22:0/12:1)PC 22:0/12:1*ME475548----
PC(22:2/14:1)PC 22:2/14:1*ME475549----
PC(23:1/12:3)PC 23:1/12:3*ME475550----
PC(25:1/12:1)PC 25:1/12:1*ME475551----
PC(26:0/10:1)PC 26:0/10:1*ME475552----
PC(26:0/12:3)PC 26:0/12:3*ME475553----
PC(26:0/14:4)PC 26:0/14:4*ME475554----
PC(26:1/10:4)PC 26:1/10:4*ME475555----
PC(26:1/12:3)PC 26:1/12:3*ME475556----
PC(27:0/10:4)PC 27:0/10:4*ME475557----
PC(28:0/10:4)PC 28:0/10:4*ME475558----
PC(29:0/10:4)PC 29:0/10:4*ME475559----
PC(30:0)PC 30:0ME475560----
PC(30:0/10:4)PC 30:0/10:4*ME475561----
PC(30:0e)PC O-30:0ME475562----
PC(30:1/10:4)PC 30:1/10:4*ME475563----
PC(30:1e)PC O-30:1ME475564----
PC(30:2p)PC P-30:2ME475565----
PC(31:0)PC 31:0ME475566----
PC(31:0e)PC O-31:0ME475567----
PC(31:0p)PC P-31:0ME475568----
PC(31:1)PC 31:1ME475569----
PC(31:1p)PC P-31:1ME475570----
PC(31:2p)PC P-31:2ME475571----
PC(31:3)PC 31:3ME475572----
PC(32:0)PC 32:0ME475573----
PC(32:0e)PC O-32:0ME475574----
PC(32:1)PC 32:1ME475575----
PC(32:1e)PC O-32:1ME475576----
PC(32:1p)PC P-32:1ME475577----
PC(32:2)PC 32:2ME475578----
PC(32:2p)PC P-32:2ME475579----
PC(32:4e)PC O-32:4ME475580----
PC(33:0)PC 33:0ME475581----
PC(33:0p)PC P-33:0ME475582----
PC(33:1)PC 33:1ME475583----
PC(33:1p)PC P-33:1ME475584----
PC(33:2)PC 33:2ME475585----
PC(33:2p)PC P-33:2ME475586----
PC(33:3)PC 33:3ME475587----
PC(34:0)PC 34:0ME475588----
PC(34:0e)PC O-34:0ME475589----
PC(34:1)PC 34:1ME475590----
PC(34:1e)PC O-34:1ME475591----
PC(34:2)PC 34:2ME475592----
PC(34:2e)PC O-34:2ME475593----
PC(34:2p)PC P-34:2ME475594----
PC(34:3)PC 34:3ME475595----
PC(34:3p)PC P-34:3ME475596----
PC(34:4)PC 34:4ME475597----
PC(34:4p)PC P-34:4ME475598----
PC(34:6e)PC O-34:6ME475599----
PC(35:0)PC 35:0ME475600----
PC(35:1)PC 35:1ME475601----
PC(35:1p)PC P-35:1ME475602----
PC(35:2)PC 35:2ME475603----
PC(35:2p)PC P-35:2ME475604----
PC(35:3)PC 35:3ME475605----
PC(35:3p)PC P-35:3ME475606----
PC(35:4)PC 35:4ME475607----
PC(35:5)PC 35:5ME475608----
PC(36:0)PC 36:0ME475609----
PC(36:1)PC 36:1ME475610----
PC(36:1e)PC O-36:1ME475611----
PC(36:2)PC 36:2ME475612----
PC(36:2e)PC O-36:2ME475613----
PC(36:2p)PC P-36:2ME475614----
PC(36:3)PC 36:3ME475615----
PC(36:4)PC 36:4ME475616----
PC(36:4e)PC O-36:4ME475617----
PC(36:4p)PC P-36:4ME475618----
PC(36:5)PC 36:5ME475619----
PC(36:5p)PC P-36:5ME475620----
PC(36:6)PC 36:6ME475621----
PC(36:6p)PC P-36:6ME475622----
PC(37:1)PC 37:1ME475623----
PC(37:2)PC 37:2ME475624----
PC(37:3)PC 37:3ME475625----
PC(37:3p)PC P-37:3ME475626----
PC(37:4)PC 37:4ME475627----
PC(37:5)PC 37:5ME475628----
PC(37:6)PC 37:6ME475629----
PC(38:0)PC 38:0ME475630----
PC(38:1)PC 38:1ME475631----
PC(38:2)PC 38:2ME475632----
PC(38:3)PC 38:3ME475633----
PC(38:3e)PC O-38:3ME475634----
PC(38:4e)PC O-38:4ME475635----
PC(38:4p)PC P-38:4ME475636----
PC(38:5)PC 38:5ME475637----
PC(38:6)PC 38:6ME475638----
PC(38:6e)PC O-38:6ME475639----
PC(38:6p)PC P-38:6ME475640----
PC(38:7)PC 38:7ME475641----
PC(38:8)PC 38:8ME475642----
PC(39:3)PC 39:3ME475643----
PC(39:4)PC 39:4ME475644----
PC(39:5)PC 39:5ME475645----
PC(39:7)PC 39:7ME475646----
PC(40:3)PC 40:3ME475647----
PC(40:4)PC 40:4ME475648----
PC(40:5)PC 40:5ME475649----
PC(40:5e)PC O-40:5ME475650----
PC(40:6)PC 40:6ME475651----
PC(40:6e)PC O-40:6ME475652----
PC(40:7)PC 40:7ME475653----
PC(40:8)PC 40:8ME475654----
PC(40:9)PC 40:9ME475655----
PC(42:5)PC 42:5ME475656----
PC(42:6)PC 42:6ME475657----
PC(42:7)PC 42:7ME475658----
PC(42:8)PC 42:8ME475659----
PE(14:0p/18:2)PE P-14:0/18:2ME475660----
PE(14:0p/20:4)PE P-14:0/20:4ME475661----
PE(16:0/18:1)PE 16:0/18:1ME475662----
PE(16:0/20:4)PE 16:0/20:4ME475663----
PE(16:0/20:5)PE 16:0/20:5ME475664----
PE(16:0p/18:2)PE P-16:0/18:2ME475665----
PE(16:0p/20:4)PE P-16:0/20:4ME475666----
PE(16:0p/22:5)PE P-16:0/22:5ME475667----
PE(18:0/18:1)PE 18:0/18:1ME475668----
PE(18:0/18:2)PE 18:0/18:2ME475669----
PE(18:0/20:4)PE 18:0/20:4ME475670----
PE(18:0p/20:4)PE P-18:0/20:4ME475671----
PE(18:0p/22:4)PE P-18:0/22:4ME475672----
PE(18:0p/22:5)PE P-18:0/22:5ME475673----
PE(18:2e)PE O-18:2ME475674----
PE(33:2p)PE P-33:2ME475675----
PE(34:1e)PE O-34:1ME475676----
PE(34:2e)PE O-34:2ME475677----
PE(36:2e)PE O-36:2ME475678----
PE(36:2p)PE P-36:2ME475679----
PE(36:4e)PE O-36:4ME475680----
PE(38:4p)PE P-38:4ME475681----
PE(38:6e)PE O-38:6ME475682----
PE(40:6e)PE O-40:6ME475683----
PE(41:6)PE 41:6ME475684----
Pentadecanoic acidPentadecylic acidME475737----
PhenylacetylglycinePhenylacetylglycineME475751----
PI(18:0/20:4)PI 18:0/20:4ME475685----
PI(36:3)PI 36:3ME475686----
PS(36:3)PS 36:3ME475687----
PseudouridinePseudouridineME475742----
Pyruvic acidPyruvic acidME475748----
Salicylic acidSalicylic acidME475730----
Succinic acidSuccinic acidME475736----
TaurineTaurineME475717----
UridineUridineME475735----


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