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melittin 346, 354 ff. 2-mercaptoethanol 307 f., 310f. metabolic profiling 185 metabolite identification 418 metabolites 41, 45 ff., 178, 377 metabolomics 54

metalloproteinase-1 (MMP-1) 77, 79, 88, 106 f. metastable ion 56 metastasis 188 methadone 264 ff. methionine 342, 362 2-methoxy-N-[(1R)-1-phenylethyl]-acetamide 287

methyl orange (MO) 76 ff. N-methyl scopolamine (NMS) 149 f. methylenetetrahydrofolate (mTHF) cofactor 311 f.

microarrays, chemical 367 microbial identification 324 microbore column 222 microcoil reactor 187, 208 microfluidic compact disc (CD) 116 f. microfluidic system 116 microsomal stability 402, 405 microsome 178

mitogen-activated protein (MAP) 388 molecular mass

- relative 15, 55 molecular weight 66 morphine 264 f.

MRM 227, 240

MSn 25, 28, 31 f., 37f., 41, 47, 57, 198, 209, 240, 403

multi channel plate detector (MCP) 33, 40f. multiple ionization source 19 f.

- combined ESI-APCI (ESCi) 19 f. multitarget affinity/specificity screening

(MASS) 328 ff. muscarinic acetylcholine receptor 134 mutagenesis 307, 392 mutant 384 mutation 357

- point 347 myoglobin 322 f.

n nafoxidine 229

naloxone 264 ff.

nebulization gas 15

nefazodone 48

neurotransmitter 269

new chemical entity (NCE) 401 ff.

nicotinic acid 286

(R)-nipecotic acid 273 f.

NO 711 269 ff.

nominal mass 56

nonlinear least squares (NLLS) regression 344

norethindrone 229, 233

nortryptiline 219

nuclear magnetic resonance (NMR)

spectroscopy 45, 101, 105, 109, 122, 135, 171, 211, 253, 305, 342, 359 ff., 377, 388

- - 2D 1H-15N HSQC 95,106 nucleotide 327

o oleate 353 f.

oligo(ethylene glycol) 296 oligonucleotides 323 f. oligosaccharides 224, 231 omeprazole 48 oral 408

orbitrap 5, 9, 30, 37, 47 p paromomycin 93 Parkinson 269

- Morbus 257 particle beam (PB) 4 pepsin 360, 387 ff.

peptide 14, 35, 50, 53, 224, 285, 294f., 341, 346, 355, 365, 378f.

peroxisome proliferator-activated receptor g

(PPARg) 390 f. pH shock 209 f. pharmaceutical compounds 41 pharmacodynamic (PD) relationships 406 pharmacokinetic (PK) investigations 401 ff., 413 f.

phenotypic effect 157 phenylalanine 288, 291, 293, 362 f.

- hydroxylase (PAH) 293 phenylethylamine 287 N-phenyl-sulfonamide fragment 310 phospholipid 292

- triacylglycerol 292 f. photodissociation 81 f. photographic plate 38 photoluminescence 290 photon multiplier detector 40 physostigmine 194

pig striatum 257, 260 pimozide 258 ff. plasma 407

- human 43

pleckstrin homology (PH) 138f. PLIMSTEX 123, 341 ff.

- definition 161 polyacrylamide 74 f. polyethylene glycol 292 porcine 346, 353 porphyrin-binding pocket 342 post-source decay (PSD) 34, 57 precursor 48

- ion scan (PC) 25 f., 32, 35 f., 57 predictive fragmentation software 48 product ion scan (PIS) 25 f., 32, 57 proline 310, 378

promiscuous compound filter (PCF) 168 ff. protection factor 378 f. protein 14, 22, 48ff., 65 f., 285, 306 ff., 331, 341

- conformational change 385, 390

- denaturation 75, 164, 174

- fragmentation 381

- light-chain kinase protein (MLCK) 354

-membrane 256,317

- protein interaction 385 -ras 345f., 347ff., 360

- targeting 377 ff.

- turnover, interacellular 188 protein-ligand

- complex 70, 135, 143 ff., 201, 207, 344 f., 349 f.

- dissociation 142 ff., 207 ff.

- interaction 200 proteolysis 381 ff. proteomics 51, 287 pseudoephedrine 414 pull-down assay 298 f. pumping

- differential stage 12, 14

- diffusion 13

- high vacuum cryogenic 13

- single stage 12 f.

- turbomolecular 13 pyranose oxidase 288 f. pyridine 288 pyrimethamine 238

q quadrupole ion trap (QIT) 4f., 27 ff., 57, 199, 208, 211 f., 342, 381, 418 -linear (LIT) 30 ff., 57, 335

quadrupole mass spectrometer 4 f., 23 ff.

- triple (QqQ) 24ff., 57, 403, 418 -QqQLiT 31 f., 57

quality control (QC) 43, 415 ff. quantitative analysis 42 ff., 54 quenching 146, 296 f., 348ff., 360ff., 380, 382

quinoxalin-2,3-diones 333 f. r radiofrequency (RF) potential 23, 27 f., 30 radiolabeling 45

radioligand binding assay 247ff., 260ff.,

270 ff. radionuclides 252

rapid array informed structure evolution

(RAISEā„¢) 160 receptor 255

- benzodiazepine 255

- dopamine 256 ff.

receptor (cont.)

- estrogen 89

- nicotinic acetylcholine 255

- opioid 263 ff. regression 417 remikiren 48 f.

response 132

restricted access (RA) column 207 ff. reversed phase chromatography (RPC) 51, 82 ff., 190, 259, 383 -MS 123 ff., 133 ribosome 324, 335 Rivastigmine 194 RNA 54, 67, 90 ff., 323 ff., 342 robotic instrumentation 80 f. rosiglitazone 391

s salicylic acid 314 ff. salt bridge 105 sample introduction 4 f. sample preparation 43 SARS-Coronavirus 243 saturation

-assay 247, 268ff.

- binding 272

- isotherm 271 scavenger 364 f. SCH 23390 257 ff. schizophrenia 257, 269 scintillation 252, 255 score 85 f.

screening assay 68, 415

selected reaction monitoring (SRM) 25 f.,

29, 32, 44, 57, 404, 409 self-assembled monolayers (SAMs) 295 f., 299

self-assembled monolayers for MALDI-MS (SAMDI) 285, 295 ff.

- principles 295 f.

sephadex 74

sepsis 313

serine 104 f.

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