Clustering data with hclust algorithm for Whole unconditioned medium (Defined culture media, M199),Whole M1 medium,Whole M2 medium (Study ST000242)

HILIC ESI positive ion mode (Analysis AN000377)
MetaboliteStructureF1F2F3
JWH 018 4-hydroxyindole metaboliteME7002141.130.96NA
Trp-Lys-OHME7002861.080.98NA
CitioloneME7001930.961.06NA
N-FormylmethionylphenylalanineME7002430.971.06NA
CreatineME7000600.951.05NA
CytosineME7000620.941.04NA
5-O-MethylvisamminolME7001310.901.03NA
methyl 10,12,13,15-bisepidioxy-16-hydroperoxy-8E-octadecenoateME7002270.921.05NA
Cys Cys IleME7001941.030.96NA
1-(alpha-Methyl-4-(2-methylpropyl)benzeneacetate)-beta-D-Glucopyranuronic acidME7000881.020.96NA
BispyribacME7001821.010.96NA
CytarabineME7000861.030.99NA
DeoxycytidineME7000711.021.00NA
DisulfiramME7000800.991.00NA
SymlandineME7001441.001.00NA
Sphingofungin DME7002831.001.00NA
sn-glycero-3-PhosphoethanolamineME7000751.001.00NA
NeopinoneME7001041.001.00NA
N4-AcetylsulfadoxineME7002371.001.00NA
Met-Trp-OHME7002281.001.00NA
KhellinME7001301.001.00NA
FenbuconazoleME7001831.001.00NA
Elloramycin AME7001551.001.00NA
Cyclopiazonic AcidME7000871.001.00NA
20,21,21-Trifluoro-3-methoxy-19-nor-17alpha-pregna-1,3,5(10),20-tetraen-17-olME7001651.001.00NA
BoschniakineME7001401.001.00NA
EnterochelinME7001021.020.98NA
Dinor-PGD2ME7001991.010.98NA
PhenylacetylglycineME7001011.010.99NA
Penicilloic G acidME7001751.010.99NA
OrizabinME7001361.010.99NA
Nitrothal-isopropylME7001841.010.99NA
Leu Cys PheME7002181.010.99NA
ErgineME7001331.010.99NA
DaunorubicinME7000821.010.99NA
5?-Deoxy-5?-(methylthio)adenosineME7000541.010.99NA
?-CaprolactamME7001081.010.99NA
Neu5Ac?2-6GalNAc?-ThrME7002420.991.04NA
Patuletin 3-(6^^-(E)-feruloylglucoside)ME7002490.981.04NA
ADMAME7000920.961.04NA
CreatinineME7000690.961.03NA
(-)-HygrolineME7001420.971.03NA
Penicillin GME7001000.971.04NA
Linoleoyl EthanolamideME7002190.961.01NA
Tyrphostin B44 (-)ME7002910.981.02NA
SerotoninME7000680.981.02NA
Quercetin 3-(6^^-malonylglucoside)-7-glucosideME7002810.981.02NA
OuabainME7000760.981.02NA
11-amino-undecanoic acidME7001860.981.02NA
acetohydroxamic acidME7001100.981.02NA
SpheroideneME7001690.991.02NA
Nap-Trp-OHME7002400.991.02NA
OrnalineME7000790.991.02NA
SarcosineME7000560.981.01NA
StreptidineME7000700.991.01NA
MID42395:26,27-diethyl-1?,25-dihydroxy-22-thiavitamin D3 / 26,27-diethyl-1?,25-dihydroxy-22-thiacholME7002320.991.01NA
MG(0:0/22:0/0:0)ME7002290.991.01NA
IsoalangisideME7001530.991.01NA
EthanolamineME7000550.991.01NA
FKGK 11ME7002010.991.01NA
Lys Tyr IleME7002230.99NA1.00
D-ProlineME7001721.040.871.01
HarpagosideME7001371.060.881.06
Jadomycin BME7001560.891.101.00
NeobanoneME7002411.060.980.96
Glu Met TrpME7002051.061.000.94
Hydroxytetrabenazine glucuronideME7002111.040.990.95
GlafenineME7001891.030.990.90
PseudopelletierineME7001451.031.030.93
DehydrofalcarinoneME7001200.971.081.01
V-PYRRO/NOME7002921.041.090.98
SeptentriodineME7001211.030.960.99
gypsogenin 3-O-rhamnosylglucosiduronic acidME7001291.010.971.00
Gal?1-3Gal?1-4GlcNAc?-SpME7002021.010.961.01
Myricetin 3-glucuronideME7002341.010.961.00
UscharidinME7001241.010.961.00
Diglycolic acidME7001971.020.981.01
MID42085:(6RS)-6,19-epidioxy-24,24-difluoro-25-hydroxy-6,19-dihydrovitamin D3 / (6RS)-6,19-epidioxy-ME7002301.000.981.00
FerroxamineME7001141.010.980.99
HaplanthinME7002081.010.991.00
Tyr Val PheME7002901.010.991.00
Lys Cys AsnME7002211.010.961.03
Spectinomycin adenylateME7000911.010.961.03
LabriformidinME7001231.000.951.03
Naloxone-3-glucuronideME7002391.010.951.03
Caylin-2ME7001901.010.971.02
FraxinME7001351.020.961.02
PE(14:0/22:2(13Z,16Z))ME7000611.020.961.02
Phosphatidyl glycerolME7000901.010.931.01
14-DeacetylnudicaulineME7001221.040.941.03
PS(P-20:0/17:1(9Z))ME7002791.030.941.02
Tributyl phosphateME7001611.011.000.99
N,N-Dimethyltryptamine (DMT)ME7001181.011.010.98
Chlorophyll aME7000991.001.000.98
Lys Ser LysME7002221.011.000.98
PS(20:1(11Z)/0:0)ME7002701.031.000.99
Tyr Thr LysME7002891.021.010.97
NiacinamideME7000521.031.000.97
N-methylundec-10-enamideME7002441.021.000.98
DG(17:2(9Z,12Z)/20:5(5Z,8Z,11Z,14Z,17Z)/0:0)[iso2]ME7001950.981.050.96
PI(20:4(5Z,8Z,11Z,14Z)/0:0)ME7002620.991.060.95
OrlistatME7002470.971.030.97
3-Buten-1-amineME7001540.971.040.99
PeuceninME7002560.981.040.99
PS(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/19:0)ME7002720.991.020.96
StreptomycinME7000640.991.020.95
PI(19:1(9Z)/0:0)ME7002610.991.040.97
GlucocerebrosidesME7002061.001.040.97
Yamogenin 3-O-neohesperidosideME7001261.001.030.97
PS(12:0/14:0)ME7002651.001.030.97
Digitoxigenin bisdigitoxosideME7001961.001.030.97
Gymnemic acid IME7001281.001.030.97
Istamycin C1ME7001800.991.020.99
NetilmicinME7001150.991.020.99
D-GlucosyldihydrosphingosineME7000930.991.020.98
Fortimicin AME7001770.991.030.98
Glucosylceramide (d18:1/18:0)ME7000741.001.030.99
AmoxicillinME7001111.001.020.99
Erythromycin BME7001091.001.020.98
Malyngamide JME7002251.001.020.98
TrimethylamineME7000670.931.020.99
Chivosazole FME7001670.990.981.06
PS(18:3(6Z,9Z,12Z)/19:1(9Z))ME7002680.990.991.02
CoumarinME7001031.000.991.01
SulfamerazineME7002840.990.991.01
5-Aminopentanoic acidME7000650.980.981.04
Clindamycin phosphateME7001520.990.981.03
RescinnamineME7001070.990.981.03
FirocoxibME7001810.971.001.03
L-LeucineME7000500.971.011.03
NS 1619ME7001590.971.011.01
L-IsoleucineME7000630.971.001.02
5-Acetylamino-6-formylamino-3-methyluracilME7001710.971.011.02
IsopreneME7001730.971.011.02
3-Indolebutyric acidME7001500.980.991.01
cefoperazoneME7001120.970.991.01
Butyric acidME7000580.981.011.01
?-Methyltryptamine (AMT)ME7001880.981.001.01
ParaldehydeME7001170.981.001.01
PG(20:5(5Z,8Z,11Z,14Z,17Z)/0:0)ME7002570.991.001.02
N-(3-pyridyl)-Indomethacin amideME7002360.981.001.02
PiperidineME7000810.981.001.02
p-HydroxypropoxypheneME7002600.971.021.00
Sannamycin AME7001780.961.011.00
PS(15:1(9Z)/14:1(9Z))ME7002660.981.010.99
Compound III(S)ME7001060.991.011.00
PirimicarbME7001490.991.011.01
Gly Lys PheME7002070.951.031.02
Istamycin CME7001790.951.041.02
Tyr Glu GluME7002880.941.001.06
3-(7^-Methylthio)heptylmalic acidME7001760.941.001.05
Homoserine lactoneME7000850.931.001.05
Pyrroline hydroxycarboxylic acidME7000940.921.021.06
5-Nitro-ortho-anisidineME7001870.931.021.05
IsobutyronitrileME7000830.931.011.05
Digoxigenin bisdigitoxosideME7001980.931.011.03
Lithocholic acid taurine conjugateME7000840.941.001.01
HexazinoneME7001460.951.001.05
Guanidinosuccinic AcidME7000890.951.001.04
5-O-(Indol-3-ylacetyl-myo-inositol) D-galactosideME7000970.951.011.04
PhaseolotoxinME7001190.951.011.04
Bz-Arg-OEtME7000780.961.021.02
E3040 glucuronideME7001510.951.021.03
THTCME7001480.961.011.03
Phenylpyruvic acidME7000530.961.011.03
MedermycinME7001570.961.011.03
Lankacidin CME7001680.961.011.03
dIMPME7001050.961.011.03
Gln Asn GluME7002030.961.011.03
His-Thr-OHME7002100.951.011.03
PencycuronME7001470.951.011.03
ProrepensinME7002640.950.981.03
AdenineME7000510.961.001.04
Erythrono-1,4-lactoneME7002000.960.991.04
Oxotolrestat glucuronideME7002480.960.991.04
HypoxanthineME7000590.970.991.04
PhenylbutyrylglutamineME7002590.970.991.03
alpha,beta-Dihydroxyethyl-TPPME7001580.910.961.08
Phe4Cl-His-OHME7002580.910.941.03
Kinetin RibosideME7002150.930.961.05
ProthioconazoleME7001850.940.961.05
5-Amino-1-ribofuranosylimidazole-4-carboxyamideME7000960.941.001.11
Ingenol 3,20-dibenzoateME7001320.921.001.08
Rifamycin SME7001630.911.001.09
Leoidin Dimethyl EtherME7002170.881.021.03
6-Imino-5-oxocyclohexa-1,3-dienecarboxylateME7000950.911.041.06
Helilandin BME7002090.911.041.06
Met ArgME700226NA1.140.97
GuanineME700057NA0.881.03
Methoprene (S)ME700160NA0.841.05
AzatadineME700116NA1.010.99
Oxolucidine BME700139NA1.030.98
Pratensin AME700263NA1.020.98
Tyr Asp HisME700287NA0.941.01
Lys Val LysME700224NA1.001.01
PhosphinothricinME700098NA0.971.01

Factors:

F1Sample Status:Whole M1 medium
F2Sample Status:Whole M2 medium
F3Sample Status: Whole unconditioned medium (Defined culture media, M199)
Data matrix
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