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IKP Core Facility

Chemical Analytics & Synthesis

Portrait

Main focus is the development and provision of innovative workflows and methods for mass spectrometric analysis of all types of small molecules and lipids in biological materials. Our established workflows include both targeted quantitative analysis of known exogenous and endogenous substances and metabolites as well as non-targeted metabolomic/lipidomic profiling enabling hypothesis-generating research and biomarker discovery. Currently, targeted methods for more than 250 substances are available for analysis of in vitro systems, tissue or body fluids. A recent expansion of our portfolio is the application of label-free quantitative proteomics for evaluation of protein expression changes. The synthesis lab provides otherwise not available substances, mostly drugs and their metabolites and stable isotope-labeled compounds.

Team

Dr. Ute Hofmann
Head of Chemical Analytics & Synthesis
Tel+49-711-8101-5907
ute.hofmann@ikp-stuttgart.de
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Dr. Thomas Mürdter
Deputy Head at IKP; Research Group Leader Tumor Models & Microenvironment; Head of Chemical Analytics & Synthesis
Tel+49-711-8101 5974
thomas.muerdter@ikp-stuttgart.de
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Dr. Mathias Haag
Research Group Leader Pharmacometabolomics
Tel+49-711-8101-5429
mathias.haag@ikp-stuttgart.de
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Equipment

Mass spectrometers

 

GC-MS

  • GC-MSD 5975C inert XL, Agilent

LC-MS(-MS)

  • Single Quadrupol 6120 with RRHPLC, Agilent
  • Triple Quadrupol 6460 with UHPLC, Agilent
  • Triple Quadrupol 6495B with UHPLC, Agilent
  • Q-TOF 6550 with UHPLC, Agilent
  • Orbitrap Exploris 480 with FAIMS, VanquishNeo nano-LC or API-MALDI-Imaging, Thermo Fisher Scientific

HPLC Systems

 

  • 2 gradient HPLC systems (Agilent 1100/1200) with UV-Diode array and fluorescence detector, fraction collector
  • Devices for sample preparation

 

Chemical synthesis

 

  • Microwave reactor
  • Preparative flash chromatography & HPLC system

 

Methods

  • Glycolytic metabolites (glucose, pyruvate, lactate, glucose 6-P, glucose 1-P, fructose 6-P, fructose 1,6-P2, 3-phosphoglycerate, phosphoenolpyruvate)
  • Pentose phosphate pathway (6-phosphogluconate, ribulose 5-P, ribose 5-P)
  • TCA cycle (malate, fumarate, citrate, isocitrate, aconitate, 2-oxoglutarate, succinate)
  • Amino acid metabolism (proteinogenic amino acids, ornithine, citrulline, kynurenine, 3-hydroxykynurenine, urea)
  • Ketone bodies (acetoacetate, 3-hydroxybutyrate)
  • Cholesterol biosynthesis and metabolites (mevalonate, lanosterol, lathosterol, cholesterol, 4ß-hydroxycholesterol, 7α-hydroxycholesterol, 24- and 27-hydroxycholesterol)
  • Bile acids (> 25 different human and mouse bile acids incl. sulfates)
  • nucleotides (energy charge, ATP, ADP, AMP, cAMP)
  • nucleosides (modified nucleosides in DNA and RNA for epigenetic investigations)
  • nucleobases (uracil, thymine and metabolites)
  • Lipids (individual triglycerides, phosphatidylcholines, phosphatidylethanolamines and precursors, free fatty acids)
  • Short-chain fatty acids (propionate, butyrate, isobutyrate, valerate, isovalerate, caproate)
  • Steroid hormones (cortisol, 6ß-hydroxycortisol, estradiol, estrone, estrone sulfate, DHEA, DHEAS, testosterone, androstenedione, progesterone, epitestosterone)
  • Polyamine metabolism (putrescine, spermine, spermidine, acetylspermine, diacetylspermidine, acetylspermidine, diacetylspermidine)
  • Acetylcholine
  • Nicotinamide metabolism (nicotinamide, nicotinamide mononucleotide, NAD+, NADH, NADP+, NADPH)
  • Others: creatinine, uric acid, allantoin, glutathione oxidized, N-acetylneuraminic acid
  • 5-ASA (acetyl-5-ASA)
  • 5-fluorouracil (dihydrofluorouracil)
  • amodiaquine (desethyl amodiaquine)
  • Antipyrin (all major metabolites)
  • Antibiotics (meropenem, piperacillin/tazobactam, cefuroxim, flucloxacillin, linezolid, ciprofloxacin, vancomycin, colistin)
  • Antiepileptics (carbamazepine, phenytoin)
  • Antipsychotics, antidepressants and anti-attention-deficit/hyperactivity disorder medications (SSRIs: citalopram, escitalopram, desmethylcitalopram, doxepin, nordoxepin, sertralin, N-desmethylsertralin, paroxetine; tricyclic antidepressants: amitryptiline, nortriptyline, clomipramine, N-desmethylclomipramine, imipramine, desipramine; others: aripiprazole, atomoxetine, clozapine, haloperidol, pimozide, venlafaxine, N-desmethylvenlafaxine, zuclopenthixol)
  • Bindarit
  • Budesonide
  • Bupropion (hydroxybupropion)
  • Caffeine (paraxanthine, 1-methylxanthine, AAMU, AFMU )
  • Clomiphene (>25 metabolites)
  • Clopidogrel
  • Cyclophosphamide
  • Dextromethorphan (dextrorphan, hydroxymorphinan, methoxymorphinan, glucuronides)
  • Digoxin
  • Diphenhydramine (nordiphenhydramine, diphenhydramine-N-glucuronide)
  • Doxorubicin (doxorubicinol)
  • Efavirenz, 8-hydroxyefavirenz
  • Fexofenadine
  • Flecainide
  • Ifosfamide
  • Irinotecan
  • Letrozole (carbinol metabolite, carbinol glucuronide)
  • MAP kinase inhibitors
  • Mefloquine (mefloquine enantiomers, carboxymefloquine)
  • Mephenytoin (nirvanol, 4-hydroxymephenytoin)
  • Metoclopramide (desethyl-metoclopramide (M3), hydroxylamine glucuronide (M7))
  • Metformin
  • Methotrexate (polyglutamates)
  • Metoprolol (α-hydroxymetoprolol)
  • Midazolam (1'-hydroxymidazolam, 4-hydroxymidazolam, 1'-hydroxymidazolam glucuronide)
  • Nabumetone (5 metabolites)
  • Opioids (codeine, morphine, dihydrocodeine and desmethyl and glucuronide metabolites, oxycodone, oxymorphone, tramadol, O-desmethyltramadol)
  • Phenacetine (acetaminophen)
  • Piritramide
  • Pridinol (hydroxylated metabolites)
  • Propafenone (5-hydroxypropafenone, propafenone glucuronide, N-desalkylpropafenone)
  • Proton pump inhibitors (omeprazole, 5-hydroxyomeprazole, omeprazole sulfone, lansoprazole, rabeprazole, tenatoprazole)
  • Remdesivir
  • Riociguat
  • Statins (atorvastatin, lovastatin, simvastatin, pravastatin, rosuvastatin and metabolites)
  • Syrosingopine
  • Talinolol
  • Tamoxifen (endoxifen and further 30 metabolites)
  • Therapeutic antibodies (infliximab and others)
  • Thiopurine drugs (TPMT activity, 6-thioguanine in plasma, 12 nucleotide metabolites in RBC)
  • Tolbutamide (hydroxytolbutamide)
  • Torsemide (hydroxytorsemide)
  • Tyrosine kinase inhibitors (dasatinib, imatinib, N-desmethylimatinib, nilotinib)
  • Verapamil (all major metabolites)
  • Voriconazole
  • Semi-quantitative profiling via RPLC: acylcarnitines, lyso-phospholipids (e.g., lyso-PCs, lyso-PEs), sphingomyelins, ceramides, glycosphingolipids, phosphatidylserines, phosphatidylcholines, phosphatidylethanolamines, phosphatidylinositoles, phosphatidylglyceroles, phosphatidylserines, diacylglycerols, triacylglycerols, cholesterolester, free fatty acids, diketopiperazines
  • Semi-quantitative profiling via HILIC: purine and pyrimidine derivatives and nucleosides, sugar alcohols, monosaccharides, amino acids and derivatives, diketopiperazines, peptides, bile acids, acylcarnitines, lyso-phospholipids (e.g., lyso-PCs, lyso-PEs)
  • (Un)targeted stable isotope-resolved metabolomics with HILIC covering metabolites within glycolysis, TCA cycle and hexosamine pathway, as well as amino acids and derivatives, ribonucleotides, purine and pyrimidine derivatives and nucleosides, glutathione, sialic acids and nucleotide sugars (e.g., UDP-Glucose)