6550 ifunnel q tof

1290 Infinity UHPLC System, 1260 infinity Nano HPLC with Chipcube, and 6550 iFunnel Q-TOFs (Agilent Technologies, Santa Clara (CA), USA) were used to examine the phytochemicals in PPE. A Zorbax Eclipse Plus c18 RRHD column with an inner diameter of 2.1 mm and length of 100mm with 1.8 μm particle size (Agilent Technologies, Santa Clara (CA), USA) was used for the chromatographic separation of all metabolites under the following conditions: 45 °C temperature, injection volume of 10 μL (PPE of 10 ppm prepared in milli-Q water), and constant flow rate of 0.300 mL/min. The mobile phase consisted of (A) 0.1% formic acid in water and (B) 0.1% formic acid in acetonitrile, and metabolite separation was accomplished using a gradient method. The gradient approach was 0–20 min 95% A, 20–30 min 100% B, 30–31 min 95% A, and 31–35 min 100% A. The following parameters were optimized for the usual operating source circumstances for MS and MS/MS scans gas source temperature: 250°C; drying gas rate: 13 L/min; nebulizer pressure: 35 psig; spray voltage: ±3500 V; and cone voltage and sheath gas temperature: ±1000 V and 350 °C, respectively. Positive and negative ionization modes with m/z ranges of 120 to 1200 were used for MS and MS/MS studies. In both positive and negative modes, scan rates of 1.0 scans per second were used for the data capture of MS and MS/MS.

Polysaccharides present in the extract of Chaetomorpha crassa were identified using an advanced analytical technique, HRLCMS QTOF. The test sample was analyzed by HRLCMS Q-TOF analysis (6550 iFunnel Q-TOFs, Agilent Technologies, USA) and characterized by setting its scanning range from 150–1000 m/z for MS/MS Dual AJS ESI in the mode of ionization. The Hypersil GOLD C18 Column, size 100 mm × 2.1 mm × 3 μm was used. Resolved peaks were further identified with the help of reported values from the literature. Above analysis was performed with the following settings: Source parameters include: Gas Temp: 250 °C; Gas Flow: 3 L/min; Nebulizer: 35 psig; Sheath Gas Temp: 300; Sheath Gas Flow: 11; Scan source parameters: VCap: 3500; Nozzle Voltage: 1000 V; Fragmentor: 175; Skimmer1: 65; OctopoleRFPeak: 750; Auxillary parameters: Draw Position Offset: 0.0 mm; Eject Speed: 100.0 μL/min; Draw Speed: 100.0 μL/min; Vial/Well bottom sensing: Yes; Sample Flush Out Factor: 5.0; Wait Time After Drawing: 2.0 s.

The rhizome of A. chasmanthum is, medicinally, an important part of the plant, a rich source of diterpenoid alkaloids and the only part of the plant used in traditional medicines. Therefore, High-Resolution Liquid Chromatography and Mass Spectrometry (HR-LCMS) analysis, antifungal and antioxidant analyses of the rhizome extract only were conducted. HR-LCMS analysis was performed on the ethyl acetate extract. A Sophisticated Analytical Instrument Facility (SAIF), IIT Bombay, Powai, Mumbai, India, was used for the HR-LCMS of the samples. A chemical fingerprint of the plant extract was prepared by high-resolution liquid chromatography and mass spectrometry model-1290 Infinity ultra-high performance liquid chromatography (UHPLC) System, 1260 infinity Nano HPLC with Chipcube, 6550 iFunnel Q-TOFs (Agilent technologies, Santa Clara, CA, USA), having specification of direct infusion mass analysis (MS, MS/MS) with ESI positive mode and negative mode ionizations. The mass range of 50 to 3200 amu was specified for the acquisition procedure, having a mass accuracy of less than 1 ppm, with a scanning rate of each spectrum per second. The analysis was performed in ESI positive and negativemode ionizations.

Untargeted metabolomic analysis of the CSF and serum samples was performed by UPLC- TOF/MS (Agilent 1290 Infinity UHPLC coupled with 6550 iFunnel Q-TOF, Agilent Technologies, CA, USA) at the Mayo Clinic Metabolomics Core [8 (link)]. UPLC-TOF/MS method, mass spectrometry data processing, and protein identification details are described in Supplementary methods.