Optima lc ms grade formic acid

Isopropyl β-d-1-thiogalactopyranoside (IPTG) was bought from INDOFINE Chemical Company Inc. (Hillsborough, NJ, USA). Sodium phosphate monobasic, sodium chloride, imidazole, Tris, HEPES and DMSO were all provided by VWR (Radnor, PA, USA). NTCB was purchased from TCI America (Portland, OR, USA). TCEP was obtained from Alfa Aesar (Tewksbury, MA, USA). LC/MS-grade water and acetonitrile for liquid chromatography were both purchased from Fisher Scientific (Waltham, MA, USA) and supplied with 0.1% Optima™ LC/MS-grade formic acid (Fisher Scientific, Waltham, MA, USA). All oligonucleotide primers and DNA sequences used for DNA mutagenesis were synthesized by Integrated DNA Technologies (Coralville, IA, USA). Sanger sequencing was performed by Eton Bioscience Inc. (San Diego, CA, USA).

Optima LC-MS grade Water (H₂O), Optima LC-MS grade acetonitrile (ACN), and Optima LC-MS grade formic acid (FA) were purchased from Fisher Scientific (Fair Lawn, NJ).

All analytical standard solutions were purchased from Cerilliant (Texas, USA) at a concentration of 1.0 mg/mL (native chemicals) or 100 µg/mL (mass-labelled chemicals) in either methanol or acetonitrile. The native chemicals included amphetamine, benzoylecgonine, cocaine, ketamine, mephedrone, methamphetamine, 3,4-methylenedioxyamphetamine (MDA), 3,4-methylenedioxyethylamphetamine (MDEA), methylenedioxymethamphetamine (MDMA), 6-monoacetylmorphine (6-MAM) and norketamine. The corresponding deuterated chemicals included 6-MAM-D₆, amphetamine-D₁₁, benzoylecgonine-D₈, cocaine-D₃, methamphetamine-D₁₁ and MDMA-D₅. The working solution was prepared in methanol at 10 µg/mL for a native-mixture standard and at 1 µg/mL for a mass-labelled-mixture standard (internal standard, IS) stored at −20 °C in amber vials. Ultrapure Milli-Q water was generated from the Milli-Q water purification system (Milli-Q IQ 7000, Merck, Darmstadt, Germany). Concentrated hydrochloric acid (HCl), LC-grade methanol, ammonia solution (32%) and Whatman glass microfiber filters (Grade GF/D) were purchased from Sigma Aldrich. Optima LC–MS grade formic acid was acquired from Fisher Scientific (New Hampshire, USA). Oasis MCX cartridges (150 mg, 6 cc) for solid-phase extraction (SPE) and the SPE manifold with 20 ports were acquired from Waters (Massachusetts, USA).

Optima™ LC/MS grade formic acid and HPLC grade water were purchased from Fisher Scientific (Ottawa, ON, Canada). Optima™ LC/MS grade ammonium acetate, phenylisothiocyanate (PITC), 3-nitrophenylhydrazine (3-NPH), HPLC grade methanol and HPLC grade acetonitrile (ACN) were also purchased from Sigma-Aldrich (Oakville, ON, Canada). Furthermore, ²H-, ¹³C-, and ¹⁵N-labelled compounds were purchased from Cambridge Isotope Laboratories, Inc. (Tewksbury, MA, USA) and from Sigma-Aldrich (Oakville, ON, Canada).
A working internal standard (ISTD) solution mixture in water (for amino acids, biogenic amines, carbohydrates, carnitines and derivatives, phosphatidylcholines and their derivatives) was made by mixing all the prepared isotope-labeled stock solutions together. For organic acids, a working internal standard (ISTD) solution mixture in 75% aqueous methanol was made. All standard solutions were aliquoted and stored at −80 °C until further use.

Optima™ LC/MS grade formic acid, Optima™ LC/MS grade methanol, acetonitrile and water, and Optima™ LC/MS grade ammonium acetate were purchased from Fisher Scientific (Ottawa, CA, USA). HPLC grade pyridine, chloroform, methyl tert-butyl ether, hexane and ethanol, phenylisothiocyanate (PITC), 3-nitrophenylhydrazines (3-NPH), 1-ethyl-3-(3-dimethylaminopropyl) carbodiimide (EDC), and butylated hydroxytoluene (BHT) were purchased from Sigma-Aldrich (Oakville, CA, USA). Chemical standards and corresponding isotope-labeled internal standards were purchased from C/D/N Isotopes Inc (Pointe-Claire, CA, USA), Cayman Chemical (Ann Arbor, MI, USA), Toronto Research Chemicals (North York, NY, USA), Cambridge Isotope Laboratories Inc. (Tewksbury, MA, USA), Sigma-Aldrich (Oakville, CA, USA), and IsoSciences (Ambler, PA, USA), except 3-(3-hydroxyphenyl)-3-hydroxypropionic acid (HPHPA). This compound and the ¹³C-labeled version of HPHPA were synthesized in-house [47 (link)]. Detailed information about the compounds and compound sourcing is provided in the Supplementary Document S1. NIST^® SRM^® 1575a pine needle material was purchased from Sigma-Aldrich (Oakville, CA, USA). Nunc^® 96 DeepWell™ plates and Multiscreen “solvinert” filter plates (hydrophobic, PTFE, 0.45 μm, clear, non-sterile) were both bought from Sigma-Aldrich (Oakville, CA, USA).