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Analysis: C18 ESI positive ion mode

SelectMetabolite Name RefMet Name/Standardized Name* WorkBench
Metabolite_ID		 PubChem
Compound_ID		 Kegg Id Retention
time/index		 m/z ratio
(-)-11-hydroxy-9,10-dihydrojasmonic acid11-Hydroxy-9,10-dihydrojasmonic acidME69999811966225-8.991943-
2-Amino-3-methyl-1-butanol-ME700001--0.93599784-
2-hexacosanamidoethanesulfonic acid-ME700002--12.141953-
2-Hydroxyadenine2-HydroxyadenineME70000376900-1.3229964-
2-Hydroxyiminodibenzyl glucuronide-ME700004--3.9709787-
2(N)-Methyl-norsalsolinol2(N)-Methyl-norsalsolinolME70000037764-5.0239697-
2-tetracosanamidoethanesulfonic acid-ME700005--11.160939-
3'-Amino-3'-deoxy-AMP3'-Amino-3'-deoxy-AMPME69997046173764C070265.96996-
3-Guanidinopropanoate3-Guanidinopropanoic acidME69996467701C030650.9879973-
3-O-acetylecdysone 2-phosphate3-O-Acetylecdysone 2-phosphateME70000623657836-0.85299844-
3-oxo-dodecanoic acid3-Oxododecanoic acidME699960439717C023678.86794-
4-Chloromethandienone4-ChloromethandienoneME70000798521-1.384996-
4-Methylene-L-glutamine4-Methylene-glutamineME699958-C011090.93099785-
4-Oxomytiloxanthin4-OxomytiloxanthinME70000816061213-6.1659603-
5,7,8-Trihydroxy-3-methoxyflavone 8-((E)-2-methylb...-ME700009--0.915998-
5-Aminopentanoic acid5-Aminopentanoic acidME699956138C004310.9469981-
5-Hydroxyisourate5-Hydroxyisouric acidME699984250388C118210.8979982-
5-Methylcytidine5-MethylcytidineME70001092918-0.904998-
5-O-Methylvisamminol5-O-MethylvisamminolME699975441970C090168.767945-
6'''-Deamino-6'''-dehydro-6'''-oxoneomycin C6'''-Oxoneomycin CME69999346173952C175890.7719981-
6-Hydroxytricetin 6,7,3',5'-tetramethyl eter 5-rob...-ME700011--5.3979645-
6-Methoxyquinoline6-MethoxyquinolineME70001214860-3.5809827-
8,9,16-trihydroxy palmitic acid8,9,16-Trihydroxypalmitic acidME7000135282936-11.154945-
8'-Hydroxydihydroergotamine-ME700014--0.76299846-
acetohydroxamic acidAcetohydroxamic acidME6999681990C068085.0889664-
ActinidineActinidineME69997768231C099100.9369979-
Ala Trp TrpAla-Trp-TrpME700015--7.599947-
allopurinolAllopurinolME6999692094C068161.3339959-
AM1172-ME700016--11.174946-
Ascorbyl PalmitateAscorbyl palmitateME70001754676825-5.495966-
Asn Phe MetAsn-Phe-MetME700018--5.3869624-
AuriculineAuriculineME699979442714C102805.3879595-
BispyribacBispyribacME699994443031C184535.0879674-
BurseranBurseranME69998011101102C105479.3579445-
CabergolineCabergolineME69997254746C081875.685963-
Calystegin B2Calystegin B2ME699982443000C108510.7719983-
CimicifugosideCimicifugosideME699974441913C089355.617964-
Citiolone-ME700019--5.3119664-
CreatinineCreatinineME699957588C007911.0129975-
Cyclopiazonic Acidalpha-Cyclopiazonic acidME699963-C030327.95595-
Cys Phe ArgCys-Phe-ArgME700020--0.76899827-
CytarabineCytarabineME6999626253C029611.3199967-
DalfopristinDalfopristinME69997121943991C080331.5889953-
DaunorubicinDaunorubicinME69995930323C019077.111953-
DelcosineDelcosineME699973441725C086766.275945-
DiacetoxyscirpenolDiacetoxyscirpenolME69997691518C096625.932962-
Diethylene glycolDiethylene glycolME6999888117C146891.6169953-
Digitoxigenin bisdigitoxoside-ME700021--5.6909637-
Dodecanedioic acidDodecanedioic acidME69996112736C0267810.58295-
D-ProlineD-ProlineME699991145742C164354.429972-
Elloramycin AElloramycin AME69998610009567C123815.967962-
EnilconazoleEnilconazoleME69999537175C187391.5929952-
Erythromycin BErythromycin BME6999679918244C066535.900962-
?EthanolamineEthanolamineME699953-C001895.0249677-
FKGK 11-ME700022--4.938969-
(-)-HygrolineHygrolineME699978442642C101524.127977-
IsoalangisideIsoalangisideME699983443420C118156.776955-
Kanokoside D-ME699992-C174310.8579985-
LysoPE(16:1(9Z)/0:0)LPE 16:1(9Z)/0:0ME700023--5.603965-
Malyngamide J-ME700024--5.5709653-
Methacrifos-ME699996-C187450.90799856-
Met-Trp-OH-ME700025--4.723971-
Mycinamicin IVMycinamicin IVME6999976447311C188465.8009634-
Mycobactin SMycobactin SME6999856536775C122166.0819607-
(±)N-(1-methyl-2-hydroxy-2-phenyl-ethyl) arachido...-ME699999--12.171952-
N-(4-benzenesulfonamide) arachidonoyl amine-ME700026--5.589964-
Nevadensin 5-gentiobiosideNevadensin 5-gentiobiosideME70002744258632-6.472959-
Paratocarpin FParatocarpin FME70002815200528-0.7739985-
PE(18:4(6Z,9Z,12Z,15Z)/18:4(6Z,9Z,12Z,15Z))PE 18:4(6Z,9Z,12Z,15Z)/18:4(6Z,9Z,12Z,15Z)*ME700029--5.3109674-
PE(18:4(6Z,9Z,12Z,15Z)/20:4(8Z,11Z,14Z,17Z))PE 18:4(6Z,9Z,12Z,15Z)/20:4(8Z,11Z,14Z,17Z)*ME699954-C003506.513958-
PE(19:0/0:0)LPE 19:0/0:0ME700030--5.8389626-
PE(9:0/9:0)[U]PE 9:0/9:0ME700031--5.767963-
Penicillin GPenicillin GME6999655904C055514.5919733-
PG(18:0/0:0)LPG 18:0/0:0ME700032--6.473936-
PhenylacetylglycinePhenylacetylglycineME69996668144C055985.0889688-
PS(22:0/0:0)LPS 22:0/0:0ME700033--5.5279655-
PS(O-16:0/22:0)PS O-16:0/22:0ME700034--13.414963-
PyrrhoxanthinPyrrhoxanthinME70003516061186-6.10796-
Quercetin 3-(6''-malonylglucoside)-7-glucoside-ME70003644259308-4.5929737-
SaxitoxinSaxitoxinME69998737165C137575.0239697-
SolamargineSolamargineME69998173611C108196.009961-
StreptomycinStreptomycinME69995519649C004130.7619984-
Taurohyocholic acidTaurohyocholic acidME69998911954195C155165.229966-
Tyrphostin B44 (-)-ME700037--5.386966-
Westiellamide-ME699990-C157395.908962-


Analysis: C18 ESI negative ion mode

SelectMetabolite Name RefMet Name/Standardized Name* WorkBench
Metabolite_ID		 PubChem
Compound_ID		 Kegg Id Retention
time/index		 m/z ratio
CamoensineCamoensineME700038442946C107585.333001-
Cystathionine ketimineCystathionine ketimineME700039135905-0.95299983-
D-(+)-GlyceraldehydeGlyceraldehydeME700040751C005771.3720001-
F-Honaucin A-ME700041--1.3720001-
GlycolaldehydeGlycolaldehydeME700042756C002660.9330001-
Kaempferol 3-sophoroside-7-(2''-ferulylglucoside)-ME700043--5.9550014-
N-Succinyl-L-diaminopimelic acidN-Succinyl-L,L-2,6-diaminopimelateME700044-C044214.612-
Oxonitine-ME700045--0.77799994-
Penicillin GPenicillin GME7000465904C055514.612-
Penicilloic G acid-ME700047-C166725.4079995-
PhenylacetylglycinePhenylacetylglycineME70004868144C055985.1129994-
Tyrphostin B44 (-)-ME700049--5.4069996-


Analysis: HILIC ESI positive ion mode

SelectMetabolite Name RefMet Name/Standardized Name* WorkBench
Metabolite_ID		 PubChem
Compound_ID		 Kegg Id Retention
time/index		 m/z ratio
11-amino-undecanoic acid11-Aminoundecanoic acidME70018617083C193255.0610623-
14-Deacetylnudicauline-ME700122-C086731.0120047-
1-(alpha-Methyl-4-(2-methylpropyl)benzeneacetate)-...-ME700088163959C030331.54601-
1'H-5alpha-Cholest-2-eno[3,2-b]indole-ME700166-C154451.1950065-
20,21,21-Trifluoro-3-methoxy-19-nor-17alpha-pregna...-ME700165-C153401.262007-
3-(7'-Methylthio)heptylmalic acid-ME700176-C172315.9940724-
3-Buten-1-amine3-Buten-1-amineME700154443732C122448.301076-
3-Indolebutyric acid3-Indolebutyric acidME7001508617C112841.1840049-
4-Methylene-L-glutamine4-Methylene-glutamineME700073-C011097.332079-
5-Acetylamino-6-formylamino-3-methyluracil5-Acetylamino-6-formylamino-3-methyluracilME700171108214C163655.5190663-
5-Amino-1-ribofuranosylimidazole-4-carboxyamide5-Amino-1-Ribofuranosylimidazole-4-carboxyamideME700096440429C046636.346075-
5-Aminopentanoic acid5-Aminopentanoic acidME700065138C004316.6350765-
5?-Deoxy-5?-(methylthio)adenosine5'-MethylthioadenosineME700054439176C001701.9760152-
5-Nitro-ortho-anisidine2-Methoxy-5-nitroanilineME700187-C194696.790078-
5-O-(Indol-3-ylacetyl-myo-inositol) D-galactoside5-O-(Indol-3-ylacetyl)-myo-inositol D-galactosideME700097-C046955.8560705-
5-O-Methylembelin5-O-MethylembelinME700143171489C103731.1370058-
5-O-Methylvisamminol5-O-MethylvisamminolME700131441970C090161.0360061-
6-Imino-5-oxocyclohexa-1,3-dienecarboxylate-ME700095-C045846.7910776-
acetohydroxamic acidAcetohydroxamic acidME7001101990C068083.1670275-
AdenineAdenineME700051190C001473.4410365-
ADMADimethylarginineME700092123831C036268.566074-
alpha,beta-Dihydroxyethyl-TPP-ME700158-C133786.5540776-
AmoxicillinAmoxicillinME70011133613C068271.467007-
Amphibine BAmphibine BME7001415281582C099980.97000426-
AridaninAridaninME70012773146C089221.2030063-
AzatadineAzatadineME70011619861C077741.170006-
BispyribacBispyribacME700182443031C184533.1710322-
BoschniakineBoschniakineME700140442507C099151.2690051-
Butyric acidButyric acidME70005820975673C002462.1540172-
Bz-Arg-OEtBz-Arg-OEtME700078-C016701.3060074-
?-CaprolactamEpsilon-caprolactamME7001087768C065934.3120027-
Caylin-2-ME700190--5.8660707-
cefoperazoneCefoperazoneME70011244185C068836.3870754-
CerP(d18:1/18:0)CerP 18:1;O2/18:0ME7001915283583-1.464009-
CerP(d18:1/20:0)CerP 18:1;O2/20:0ME7001925283584-1.5170095-
Chivosazole F-ME700167-C157335.0070605-
Chlorophyll aChlorophyll aME70009912085802C053066.1354523-
Chlorophyllide bChlorophyllide bME70017415775275C165415.8840313-
Citiolone-ME700193--3.686053-
Clindamycin phosphateClindamycin phosphateME70015210346039C117286.779078-
Colnelenic acidColnelenic acidME7001706441679C163201.0040046-
Compound III(S)Compound III(S)ME700106-C064953.5880387-
CoumarinCoumarinME70010318327169C058515.8600707-
CreatineCreatineME700060586C003006.9990788-
CreatinineCreatinineME700069588C007913.9950464-
Cyclopiazonic Acidalpha-Cyclopiazonic acidME700087-C030321.1110055-
Cys Cys IleCys-Cys-IleME700194--1.5840102-
CytarabineCytarabineME7000866253C029613.8880432-
CytosineCytosineME700062597C003803.9680521-
DaunorubicinDaunorubicinME70008230323C019075.537068-
DehydrofalcarinoneDehydrofalcarinoneME7001205281145C084458.4350815-
DeoxyadenosineDeoxyadenosineME70006613730C005592.2330186-
DeoxycytidineDeoxycytidineME70007113711C008813.9760466-
DG(17:2(9Z,12Z)/20:5(5Z,8Z,11Z,14Z,17Z)/0:0)[iso2]DG 17:2(9Z,12Z)/20:5(5Z,8Z,11Z,14Z,17Z)/0:0*ME700195--0.9710047-
D-GlucosyldihydrosphingosineD-GlucosyldihydrosphingosineME700093-C038581.0030048-
Dicyclohexyl phthalateDicyclohexyl phthalateME700162-C145291.0200045-
Digitoxigenin bisdigitoxoside-ME700196--5.1410613-
Diglycolic acid-ME700197--5.864077-
Digoxigenin bisdigitoxoside-ME700198--8.518076-
dIMPdIMPME70010591531C061966.346075-
Dinor-PGD2Dinor-PGD2ME70019952921879-1.0210049-
DisulfiramDisulfiramME7000803117C016927.2500787-
D-ProlineD-ProlineME700172145742C164357.391088-
E3040 glucuronide-ME700151-C115955.882071-
Elloramycin AElloramycin AME70015510009567C123814.30605-
Enterochelin-ME700102-C058213.3840587-
Ergine-ME700133-C091602.3190196-
Erythromycin BErythromycin BME7001099918244C066535.4520664-
Erythrono-1,4-lactoneErythrono-1,4-lactoneME7002005325915-3.4420426-
EthanolamineEthanolamineME700055700C001891.2610055-
Fenbuconazole-ME700183-C184612.970029-
FerroxamineFerroxamineME70011446173771C075971.1490066-
Firocoxib-ME700181-C183636.7710776-
FKGK 11-ME700201--4.7720585-
Fortimicin AAstromicinME700177-C177083.0520306-
FraxinFraxinME700135-C092660.9710047-
Gal?1-3Gal?1-4GlcNAc?-Sp-ME700202--1.1660047-
GlafenineGlafenineME7001893474D013510.9880039-
Gln Asn GluGln-Asn-GluME700203--6.346075-
Gln Glu LysGln-Glu-LysME700204--1.1110055-
Glucocerebrosides-ME700206--0.9710047-
Glucosylceramide (d18:1/18:0)GlcCer 18:1;O2/18:0ME700074-C011901.0580056-
Glu Met TrpGlu-Met-TrpME700205--1.1690065-
Gly Lys PheGly-Lys-PheME700207--1.3820081-
Guanidinosuccinic AcidGuanidinosuccinic acidME700089439918C031395.8470707-
GuanineGuanineME700057764C002422.7660432-
Gymnemic acid IGymnemic acid IME70012811953919C089475.4940667-
gypsogenin 3-O-rhamnosylglucosiduronic acidGypsogenin 3-O-rhamnosylglucosiduronic acidME700129441927C089521.084004-
HaplanthinHaplanthinME70020842607841-3.8930435-
HarpagosideHarpagosideME7001375281542C097831.1450061-
Helilandin BHelilandin BME7002096440432-6.7870793-
Hexazinone-ME700146-C109261.6730117-
His-Thr-OH-ME700210--5.84307-
Homoserine lactoneHomoserine lactoneME700085-C029266.7930875-
Hydroxytetrabenazine glucuronide-ME700211--1.170006-
(-)-HygrolineHygrolineME700142442642C101524.913059-
HypoxanthineHypoxanthineME700059790C002622.6150239-
ICI 164384-ME700164-C147581.369008-
Ingenol 3,20-dibenzoateIngenol 3,20-dibenzoateME700132442043C091135.995072-
Ins-1-P-Cer(t18:0/26:0)-ME700212--3.0590303-
IsoalangisideIsoalangisideME700153443420C118155.0050645-
IsobutyronitrileIsobutyronitrileME7000836559C024204.8970585-
IsopreneIsopreneME7001736557C165215.8480706-
Istamycin C-ME700179-C179951.4490087-
Istamycin C1-ME700180-C179963.934044-
IU1-ME700213--1.0270056-
Jadomycin BJadomycin BME700156443806C123955.7620697-
JWH 018 4-hydroxyindole metabolite-ME700214--3.6880405-
KhellinKhellinME7001303828C090102.4070208-
Kinetin Riboside-ME700215--6.545079-
Labriformidin-ME700123-C088701.0920056-
LacCer(d18:0/26:0)LacCer 18:0;O2/26:0ME70021652931269-1.1450026-
Lankacidin C-ME700168-C157585.770069-
Leoidin Dimethyl Ether-ME700217--6.556085-
Leu Cys PheLeu-Cys-PheME700218--2.972029-
Linoleoyl EthanolamideLinoleoyl-EAME7002195283446-1.1190059-
L-IsoleucineIsoleucineME7000636306C004075.77207-
Lithocholic acid taurine conjugateTaurolithocholic acidME700084439763C025921.5390099-
L-LeucineLeucineME7000506106C001235.8470707-
Lucidine BLucidine BME700138156059C098691.1240058-
Luteolin 7,3'-digalacturonideLuteolin 7,3'-digalacturonideME70022044258092-6.548078-
Lys Cys AsnLys-Cys-AsnME700221--2.6110234-
Lys Ser LysLys-Ser-LysME700222--2.7350254-
Lys Tyr IleLys-Tyr-IleME700223--1.1090075-
Lys Val LysLys-Val-LysME700224--1.2850072-
Malyngamide J-ME700225--4.9740596-
Medermycin-ME700157-C124375.876071-
Met ArgMet-ArgME700226--7.4330792-
Methoprene (S)MethopreneME700160-C143081.003005-
methyl 10,12,13,15-bisepidioxy-16-hydroperoxy-8E-o...-ME700227--1.0280057-
?-Methyltryptamine (AMT)-ME700188-C201272.8940277-
Met-Trp-OH-ME700228--6.8220787-
MG(0:0/22:0/0:0)MG 0:0/22:0/0:0*ME700229--1.0440055-
MID42085:(6RS)-6,19-epidioxy-24,24-difluoro-25-hyd...-ME700230--0.7490037-
MID42333:24,24-difluoro-1?,25-dihydroxy-26,27-dime...-ME700231--1.0880055-
MID42395:26,27-diethyl-1?,25-dihydroxy-22-thiavita...-ME700232--1.0840065-
MID42466:11?-(4-dimethylaminophenyl)-1?,25-dihydro...-ME700233--1.1940064-
Myricetin 3-glucuronideMyricetin 3-glucuronideME70023444259442-2.8640275-
N-(2-hydroxyethyl)henicosanamide-ME700235--3.886045-
N-(3-pyridyl)-Indomethacin amide-ME700236--6.3440742-
N4-AcetylsulfadoxineN4-AcetylsulfadoxineME700237160773-3.4240367-
N-acyl capnines-ME700238--1.2110068-
Naloxone-3-glucuronide-ME700239--1.0870054-
Nap-Trp-OH-ME700240--2.4700222-
NeobanoneNeobanoneME70024144257409-2.7640257-
NeopinoneNeopinoneME70010412313212C061723.1480317-
NetilmicinNetilmicinME700115441306C076574.2590494-
Neu5Ac?2-6GalNAc?-Thr-ME700242--2.870027-
N-Formylmethionylphenylalanine-ME700243--3.5560377-
NiacinamideNiacinamideME700052936C001531.6000106-
Nitrothal-isopropyl-ME700184-C188732.433021-
NizatidineNizatidineME7001133033637C072703.7880418-
N-methylundec-10-enamide-ME700244--1.1840063-
N,N-Dimethyltryptamine (DMT)DimethyltryptamineME700118-C083022.8850272-
n-PentadecylamineN-PentadecylamineME70024517386-3.895043-
NS 1619NS 1619ME700159-C138335.5200663-
Oleoyl-EA(d2)Oleoyl-EAME700246--1.0860056-
OrizabinOrizabinME7001365281491C095214.3100495-
OrlistatOrlistatME7002473034010-1.000007-
OrnalineNopalinic acidME700079-C016833.3930357-
OuabainOuabainME700076439501C014438.502076-
Oxolucidine BOxolucidine BME700139442493C098911.1870064-
Oxotolrestat glucuronide-ME700248--5.858073-
ParaldehydeParaldehydeME70011731264C078342.1550171-
ParillinParillinME700125197977C089060.989-
Patuletin 3-(6''-(E)-feruloylglucoside)Patuletin 3-(6''-(E)-feruloylglucoside)ME70024944259850-4.3020372-
PE(14:0/22:2(13Z,16Z))PE 14:0/22:2(13Z,16Z)*ME700061-C003502.34802-
PE(17:1(9Z)/18:0)PE 17:1(9Z)/18:0*ME700250--1.7820128-
PE(17:2(9Z,12Z)/20:0)PE 17:2(9Z,12Z)/20:0*ME700251--1.4360087-
PencycuronPencycuronME70014791692C110125.77107-
Penicillin GPenicillin GME7001005904C055516.583076-
Penicilloic G acid-ME700175-C166725.91507-
PE-NMe(18:0/18:0)[U]PE-NMe (18:0/18:0)*ME700255--1.8480134-
PE(O-16:0/17:0)PE O-16:0/17:0ME700252--1.6770116-
PE(P-16:0/19:0)PE P-16:0/19:0ME700253--1.652011-
PE(P-18:1(11Z)/15:0)PE P-18:1(11Z)/15:0*ME700254--1.5740103-
Peucenin-ME700256--1.4840093-
PG(20:5(5Z,8Z,11Z,14Z,17Z)/0:0)PG 20:5(5Z,8Z,11Z,14Z,17Z)/0:0*ME700257--0.9950049-
PhaseolotoxinPhaseolotoxinME700119-C084405.84307-
Phe4Cl-His-OH-ME700258--6.5470867-
PhenylacetylglycinePhenylacetylglycineME70010168144C055983.167032-
PhenylbutyrylglutaminePhenylbutyrylglutamineME7002599943917-6.786084-
Phenylpyruvic acidPhenylpyruvic acidME700053997C001665.8450704-
Phosphatidyl glycerolsn-Glycero-3-phosphoglycerolME700090-C032742.7710257-
PhosphinothricinPhosphinothricinME7000984794C050427.432081-
p-Hydroxypropoxyphene-ME700260--8.559074-
PI(19:1(9Z)/0:0)PI 19:1(9Z)/0:0*ME700261--4.976059-
PI(20:4(5Z,8Z,11Z,14Z)/0:0)PI 20:4(5Z,8Z,11Z,14Z)/0:0*ME700262--0.97800475-
PiperidinePiperidineME7000818082C017465.77207-
PirimicarbPirimicarbME70014931645C110792.1540172-
Pratensin APratensin AME70026315736235-5.807072-
ProrepensinProrepensinME700264636780-8.293082-
Prothioconazole-ME700185-C188886.547088-
PS(12:0/14:0)PS 12:0/14:0*ME700265--5.1410613-
PS(15:1(9Z)/14:1(9Z))PS 15:1(9Z)/14:1(9Z)*ME700266--3.466037-
PS(18:1(9Z)/16:1(9Z))PS 18:1(9Z)/16:1(9Z)*ME700267--5.0370607-
PS(18:3(6Z,9Z,12Z)/19:1(9Z))PS 18:3(6Z,9Z,12Z)/19:1(9Z)*ME700268--1.0970054-
PS(20:0/20:1(11Z))PS 20:0/20:1(11Z)*ME700269--1.7250121-
PS(20:1(11Z)/0:0)PS 20:1(11Z)/0:0ME700270--6.3030744-
PS(22:0/20:2(11Z,14Z))PS 22:0/20:2(11Z,14Z)*ME700271--2.3420196-
PS(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/19:0)PS 22:6(4Z,7Z,10Z,13Z,16Z,19Z)/19:0*ME700272--5.936085-
Pseudopelletierinepsi-PelletierineME700145-C108651.2190067-
PS(O-16:0/12:0)PS O-16:0/12:0ME700273--1.3620079-
PS(O-16:0/13:0)PS O-16:0/13:0ME700274--1.1620063-
PS(O-16:0/20:1(11Z))PS O-16:0/20:1(11Z)ME700275--1.9980154-
PS(O-16:0/22:0)PS O-16:0/22:0ME700276--2.069016-
PS(O-18:0/12:0)PS O-18:0/12:0ME700277--4.8990593-
PS(P-16:0/22:1(11Z))PS P-16:0/22:1(11Z)*ME700278--1.5430098-
PS(P-20:0/17:1(9Z))PS P-20:0/17:1(9Z)*ME700279--2.7420256-
Pyrroline hydroxycarboxylic acidPyrroline hydroxycarboxylic acidME7000941059C042816.795077-
PyrromycinPyrromycinME700280196990-5.9960537-
Quercetin 3-(6''-malonylglucoside)-7-glucoside-ME70028144259308-6.5800776-
QueuineQueuineME700077114881C014497.0460796-
RescinnamineRescinnamineME7001075280954C065405.770069-
Rifamycin S-ME700163-C145405.9940724-
Sannamycin A-ME700178-C177101.5060107-
SarcosineSarcosineME7000561088C002137.0070825-
Sativic acidSativic acidME70028292800-1.1370058-
SeptentriodineSeptentriodineME700121441717C086681.0780053-
SerotoninSerotoninME7000685202C007803.3700352-
sn-glycero-3-Phosphoethanolaminesn-Glycero-3-phosphoethanolamineME700075444183C012333.169033-
Spectinomycin adenylate-ME700091-C035800.9700045-
SpheroideneSpheroideneME7001696368932C159001.261007-
Sphingofungin DSphingofungin DME70028342608380-1.4270089-
StreptidineStreptidineME700070439323C008378.240077-
StreptomycinStreptomycinME70006419649C004135.7160697-
SulfamerazineSulfamerazineME7002845325-6.3750854-
SymlandineSymlandineME7001445281753C104085.349067-
THTCTetrahydrothiophene-2-carboxylic acidME700148-C110745.8570704-
Tributyl phosphateTributyl phosphateME70016131357C144391.0600051-
Tricetin 3'-methyl ether 7,5'-diglucuronide-ME70028570698919-6.5570765-
TrichotomineTrichotomineME7001345281412C092474.35005-
TrimethylamineTrimethylamineME7000671146C005655.788064-
Trp-Lys-OH-ME700286--3.9680448-
Tyr Asp HisTyr-Asp-HisME700287--5.9920716-
Tyr Glu GluTyr-Glu-GluME700288--5.9970713-
Tyrphostin B44 (-)-ME700291--4.30705-
Tyr Thr LysTyr-Thr-LysME700289--2.8100266-
Tyr Val PheTyr-Val-PheME700290--1.1110061-
UDP-N-acetylmuraminateUDP-N-acetylmuramic acidME7000721169C010506.563081-
Uscharidin-ME700124-C088831.1510063-
V-PYRRO/NO-ME700292--8.281087-
Yamogenin 3-O-neohesperidoside-ME700126-C089195.4690666-


Analysis: HILIC ESI negative ion mode

SelectMetabolite Name RefMet Name/Standardized Name* WorkBench
Metabolite_ID		 PubChem
Compound_ID		 Kegg Id Retention
time/index		 m/z ratio
1-Hydroxy-2-naphthoic acid1-Hydroxy-2-naphthoateME7003076844C032030.84399945-
2'-DeoxyuridineDeoxyuridineME70029813712C005261.6269974-
3,3'-Dichloro-4,4'-diaminodiphenyl ether-ME700326-C192261.5479975-
3,5-Dinitroguaiacol-ME700324-C171013.7119868-
4-Acetamido-2-amino-6-nitrotoluene-ME700322-C164207.486961-
4-Bromophenylthiourea4-BromophenylthioureaME7003202735620C146441.6309993-
4-Hydroxybenzaldehyde4-HydroxybenzaldehydeME700300126C006331.1249993-
AcyclovirAciclovirME7003112022C068103.7229872-
CamoensineCamoensineME700314442946C107584.444982-
CefuroximeCefuroximeME7003125479529C068946.806961-
Chondroitin sulfateChondroitin sulfateME70029924766C006073.8619857-
Cyclopiazonic Acidalpha-Cyclopiazonic acidME700305-C030321.1669987-
CytarabineCytarabineME7003046253C029614.097984-
Decarbamoylgonyautoxin 1-ME700327-C200223.8229861-
DeoxycytidineDeoxycytidineME70030113711C008814.1869845-
DiclobutrazolDiclobutrazolME70031653309C112352.5739934-
Dihydroneopterin phosphateDihydroneopterin phosphateME70031024771767C059252.0959957-
dTDP-D-galacturonatedTDP-D-galacturonateME700306439883C030346.2739663-
Erythrono-1,4-lactoneErythrono-1,4-lactoneME7003285325915-1.8339967-
F-Honaucin A-ME700329--3.494988-
Fumaric acidFumaric acidME700294444972C001223.7079866-
Glutaconic acidGlutaconic acidME7003035280498C022141.6279975-
Gly Asp AspGly-Asp-AspME700330--1.5639981-
griseorhodin AGriseorhodin AME7003185282051C120486.793961-
IprobenfosIprobenfosME70032133294C152301.5629978-
Jaceidin 7-neohesperidosideJaceidin 7-neohesperidosideME70033144259822-7.007959-
L-4-Hydroxy-3-methoxy-a-methylphenylalanine-ME700332--1.3399982-
Lys Trp LysLys-Trp-LysME700333--1.321999-
Methyl oxalate-ME700315-C109001.8339967-
N-Formylmethionylphenylalanine-ME700334--3.6939867-
Nicotinamide N-oxideNicotinamide N-oxideME70033572661-2.6399932-
OryzalinOryzalinME70032529393C188774.4469814-
Oxolinic AcidOxolinicacidME70031718972857C113426.0469646-
Pectolinarigenin 7-(4'''-acetylrutinoside)-ME70033644258443-3.8519862-
Penicillin GPenicillin GME7003085904C055516.793963-
Phe4Cl-Ser-OH-ME700337--3.8519878-
PhenolsulfonphthaleinPhenolsulfonphthaleinME700319-C126001.4039984-
PhenylacetylglycinePhenylacetylglycineME70030968144C055983.14799-
p-Hydroxyprimidonep-HydroxyprimidoneME700338--4.448981-
ProchlorperazineProchlorperazineME7003134917C074033.1499927-
RibothymidineRibothymidineME700323445408C167441.4959981-
Sericetin Diacetate-ME700339--3.8349857-
TaurineTaurineME7002961123C002455.327975-
ThiorphanThiorphanME7003023132C016193.721987-
ThymidineThymidineME7002955789C002141.5649977-
Tranylcypromine glucuronide-ME700340--6.3009663-
Triphyllin BTriphyllin BME70034144257135-3.3719893-
UracilUracilME7002931174C001063.5559883-
UridineUridineME7002976029C002992.212995-


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