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4 protocols using optima lc ms grade acetonitrile and water

1

Comprehensive Fatty Acid Profiling Protocol

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A fatty acid methyl ester (FAME) standard mixture containing all relevant fatty acid methyl esters was obtained from USP (Rockville, MD). Ammonium acetate (LC-MS grade) was purchased from Honeywell (Muskegon, MI). Glyceryl tricaprylate, glyceryl tricaprate, glyceryl trimyristate, glyceryl trilaurate, glyceryl tripalmitate, and glyceryl tripalmitoleate were acquired from Santa Cruz biotechnology (Dallas, TX). Glyceryl tristearate, glyceryl trioleinate, glyceryl trilinoleate, glyceryl trilinolenate, sodium hydroxide, 2-dimethylaminoethanol (DMAE), butylated hydroxytoluene (BHT), toluene, and certified analytical standards of cottonseed oil, sunflower seed oil, palm oil, coconut oil, canola oil, linseed oil, olive oil, corn oil, and soybean oil were obtained from Sigma-Aldrich (St. Louis, MO). Optima LC/MS grade acetonitrile and water were purchased from Fisher Scientific (Pittsburgh, PA).
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2

Targeted Metabolite Profiling by LC/MS

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Optima LC/MS grade acetonitrile and water, anhydrous N,N-dimethylformamide (DMF), and 4-(4,6-dimethoxy-1,3,5-triazin-2-yl)-4-methylmorpholinium tetrafluoroborate (DMTMM) were purchased from Fisher Scientific (Fair Lawn, NJ). N-Methylmorpholine (NMM) was purchased from TCI America (Tokyo, Japan). Twenty-four metabolite standards (glycine, L-alanine, L-cysteine, L-serine, L-proline, L-valine, L-threonine, L-leucine, L-isoleucine, L-aspartic acid, L-asparagine, L-glutamic acid, L-glutamine, L-methionine, L-dopamine, L-lysine, L-histidine, L-phenylalanine, L-arginine, L-tyrosine, L-tryptophan, serotonin, γ-aminobutyric acid, dopamine, kynurenine) and triethylammonium bicarbonate (TEAB) was purchased from Sigma (St. Louis, MO). Formic acid (FA) was purchased from Fluka (Buchs, Switzerland). SCX Ziptips were purchased from Millipore.
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3

PBA Characterization with Monovalent Cations

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Optima LC-MS grade acetonitrile and water were purchased from Fisher Scientific (Waltham, MA). The PBA sample was provided by Bayer Material Science, with the number-average molecular weight (Mn) determined by end-group analysis (Mn = 2250) [32 ]. MALDI analysis of this PBA sample determined Mn = 2155 [33 ]. Lithium chloride, sodium chloride, potassium chloride, rubidium chloride, and cesium chloride were purchased from Sigma-Aldrich (St. Louis, MO). The PBA sample was prepared at an initial concentration of 1 mg/mL and subsequently diluted to a final concentration of 10 μg/mL in acetonitrile. Group I monovalent cations were prepared at an initial concentration of 1 mg/mL in water. Then, metal cation solutions were diluted to 5 mM in 10 μg/mL of the PBA sample in acetonitrile.
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4

Quantitative Analysis of Pharmaceutical Compounds

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Optima LC/MS grade acetonitrile and water were purchased from Fisher (Pittsburgh, PA). Penicillin V potassium tablets (1600 units/mg) were purchased from Teva Pharmaceuticals (Sellersville, PA), MEL tablets (15 mg) were from BI Pharmaceuticals (Ridgefield, CT), FEL tablets (600 mg) were from Meda Pharmaceuticals (Somerset, NJ), MET tablets (1000 mg) were from Bristol-Myers Squibb (Princeton, NJ), and DAN capsules (100 mg) were purchased from JHP Pharmaceuticals (Rochester, MI). All the tablets were ground to a fine powder for dosing. APAP, methylcellulose, CCl4, formic acid, leucine-enkephalin, imidazole, pentadecafluorooctanoic acid, L-tryptophan and all the MS standards were obtained from Sigma-Aldrich (St. Louis, MO). Fig. S1 displays structures of APAP, CCl4, FEL, DAN, MEL, PEN and MET.
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