The molecular weight of purified pterostilbene derivatives was assessed using a mass spectrometer with hybrid QTOF analyzer (model QSTAR, Pulsar i, AB Sciex, Framingham, MA, USA). Samples were analyzed by direct infusion and ionized by electrospray (with methanol containing 1% of NH4OH as ionizing phase) in negative reflector mode.
Q star pulsar i
Manufactured by AB Sciex
Sourced in United States, Germany
The Q-Star Pulsar i is a mass spectrometer designed for accurate and precise ion detection. It features a high-resolution time-of-flight (TOF) analyzer that enables the measurement of molecular masses with high precision. The instrument is capable of performing both MS and MS/MS experiments to provide detailed structural information about analytes.
Automatically generated - may contain errors
Lab products found in correlation
Analyst qs 1, by AB Sciex (3 mentions)
Masshunter qualitative analysis b 07, by Agilent Technologies (1 mentions)
Masshunter data acquisition b 05, by Agilent Technologies (1 mentions)
Ultimate 3000 lc system, by Thermo Fisher Scientific (1 mentions)
Acclaim pepmap 100 c18 column, by Thermo Fisher Scientific (1 mentions)
Autoflex matrix, by Bruker (1 mentions)
10 protocols using q star pulsar i
1
Molecular Weight Analysis of Pterostilbene
2
Mass Spectrometry Characterization of Compounds
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Conventional mass spectrometry analyses were performed on a hybrid quadrupole time-of-flight (Q-TOF) analyzer (QSTAR Pulsar I; AB Sciex, Framingham, MA, USA). Reaction samples were analyzed by direct infusion and ionized by electrospray ionization-mass spectrometry (ESI-MS) with methanol as the mobile phase in positive reflector mode. High-resolution mass spectrometry (HR-MS) analysis was carried out by flow injection analysis combined with electrospray ionization-mass spectrometry (FIA-ESI-MS) on an Agilent G6530A accurate-mass Q-TOF liquid chromatography-mass spectrometry (LC-MS) system (Agilent Technologies, Santa Clara, CA, USA). The sample was directly infused and ionized by ESI in negative reflector mode. Ionization was enhanced by JetStream technology, and the mobile phase was 99.9:0.1 (vol/vol) H2O–formic acid. Data were processed with MassHunter Data Acquisition B.05.01 and MassHunter Qualitative Analysis B.07.00 software (Agilent Technologies).
3
High-Resolution Mass Spectrometry of Soil Fractions
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The same pseudoinclusion-rich, dark fraction and pseudoinclusion-void, light fraction used in the FT-IR analysis were used here. Mass spectra were obtained using an ultra-high-resolution QTOF instrument (QSTAR Pulsar i, ABSciex) at the SIdI (UAM). The extraction was carried out with water and the samples were dissolved in methanol for their ionization and introduced in the mass spectrometer to 20 ul/min with an infusion pump. Electrospray ionization source in positive mode was used for all the analyses and the parameters were adjusted as follows: capillary voltage 5500 V, focusing Potential 210 V, declustering potential 30 V. Nitrogen was used as nebulizer gas (pressure of 10 Bar) and the scans of MS spectra were conducted in the m/z range of 50 to 2000. For accurate high resolution mass spectrometry (HRMS) internal calibration was performed after analysis. A tandem mass spectrometry (MSMS) fragmentation spectrum of m/z 359.23 peak has been performed to determine parts of the molecule. The accurate masses obtained were processed using the elemental composition calculator incorporated in the Data Analysis Software (ABSciex) (https://sciex.com/products/software/analyst-software ).
4
Accurate Mass Analysis of Fatty Acid Sugar Esters
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Accurate masses of synthesized and purified fatty acid sugar esters from sample 2 were determined with an ESI-Q-ToF MS system (Q-Star Pulsar i, AB SCIEX, Darmstadt, Germany) equipped with an electrospray ionization (ESI) source. Measurements were accomplished as described in Siebenhaller et al. (2017 (link)). Data acquisition and processing were performed using the Analyst QS 1.1 software (AB SCIEX, Darmstadt, Germany).
5
Proteomic Analysis of Gel Bands
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Analysis of Gel Bands was carried out at the Proteomic Facility, SBBS, Durham University as follow: Spots of diameter 1.5 mm were excised from selected gel bands and transferred to a microtitre plate for trypsin digestion using a Pro Gest Investigator™ automated workstation (Genomic Solutions). Samples were digested with the standard Pro Gest long trypsin protocol supplied with the instrument, using iodoacetamide for cysteine derivatization. Final eluates were dried in a vacuum centrifuge and residues resuspended in 0.2% formic acid before dilution to 2% ACN, 0.1% formic acid. Peptides were then analyzed by nano-LC MS/MS using an Ultimate 3000 LC system (Dionex) linked to a Q-TOF mass spectrometer (QStar Pulsar i, AB SCIEX) via a nanospray source (Protana) with a PicoTip silica emitter (New Objective). Samples were loaded via a Zorbax300SB-C18 5 × 0.3 mm column (Agilent) and peptides resolved using an Acclaim® PepMap 100 C18 column 75 μm × 15 cm (Thermo Scientific). A linear gradient of 4–32% ACN in 0.1% formic acid over 47 min at a flow rate of 300 nL/min was run and the remaining peptides were then eluted with 72% ACN, 0.1% formic acid. MS and MS/MS data were acquired using Analyst QS software version 1.1, switching between 1 s survey and 3 × 3 s product ion scans during peptide elution. Ions with charge state 2+ to 4+ and TIC > 10 counts were selected for fragmentation.
6
ESI-Q-ToF MS Analysis of Purified Compounds
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An ESI–Q–ToF MS system (Q-Star Pulsar i, AB SCIEX, Darmstadt, Germany) equipped with an electrospray ionization (ESI) source was used for mass determination of the purified compounds. Measurements were carried out in the positive mode within a mass range from m/z 50 to m/z 800 using the activated “enhance all” setting. Samples were diluted 1:5 in a mixture of methanol and 10 mM ammonium acetate (1:1, by vol.) and continuously infused via a syringe pump at a flow rate of 10 µl/min.
The ion source voltage was set at 4800 V, declustering potential was adjusted at 30 V and focusing potential at 100 V. In all experiments nitrogen gas 5.0 was used as nebulizer and curtain gas.
Data acquisition and processing were performed using the Analyst QS 1.1 software (AB SCIEX, Darmstadt, Germany).
The ion source voltage was set at 4800 V, declustering potential was adjusted at 30 V and focusing potential at 100 V. In all experiments nitrogen gas 5.0 was used as nebulizer and curtain gas.
Data acquisition and processing were performed using the Analyst QS 1.1 software (AB SCIEX, Darmstadt, Germany).
7
Spectroscopic Characterization of Organic Compounds
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Ultraviolet-visible spectra were recorded using a Varian Cary 50 spectrophotometer, using a quartz cuvette of 10 mm path length. Mass spectra were obtained using a Bruker Autoflex matrix assisted laser desorption ionization mass spectrometer (MALDI MS) equipped with a nitrogen laser in linear, positive ion mode. [3-(4-tert-Butylphenyl)-2-methyl-2-propenylidene]malononitrile (DCTB) was used as the matrix. A volume of 2 μL of the analyte/matrix mixture was applied to the target and air-dried.
Electrospray ionization mass spectra were measured using a QSTAR pulsar i (AB Sciex) using a quadrupole and time-of-flight analyzers. The spectra were measured in the mass range of m/z 500–12 000 in the negative ion mode. Further details of the instrumental parameters used for the measurements are provided in the ESI.‡
Electrospray ionization mass spectra were measured using a QSTAR pulsar i (AB Sciex) using a quadrupole and time-of-flight analyzers. The spectra were measured in the mass range of m/z 500–12 000 in the negative ion mode. Further details of the instrumental parameters used for the measurements are provided in the ESI.
8
Accurate Mass Determination of Synthesis Products
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The accurate masses of the synthesis products, which were separated and purified by flash chromatography, were determined with an ESI-Q-ToF MS system (Q-Star Pulsar i, AB SCIEX, Germany) equipped with an electrospray ionization (ESI) source. All measurements were carried out in the positive mode within a mass range from m/z 50 to m/z 800 using the activated “enhance all” setting. Before measurement, the samples were diluted 1:5 in a mixture of 10 mM ammonium acetate and methanol (1:1, by vol.) and continuously infused via a syringe pump at a flow rate of 10 μl/min.
The ion source voltage was set to 4,800 V, declustering potential to 30 V, and focusing potential to 100 V. As nebulizer and curtain gas, nitrogen gas 5.0 was used in all experiments.
Data acquisition and processing were performed using the Analyst QS 1.1 software (AB SCIEX, Germany).
The ion source voltage was set to 4,800 V, declustering potential to 30 V, and focusing potential to 100 V. As nebulizer and curtain gas, nitrogen gas 5.0 was used in all experiments.
Data acquisition and processing were performed using the Analyst QS 1.1 software (AB SCIEX, Germany).
9
Mass Spectrometric Analysis of Hesperetin Monoglucoside
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The HRMS of purified hesperetin monoglucoside was assessed using a mass spectrometer with hybrid QTOF analyzer (model QSTAR, Pulsar i, AB Sciex, Madrid, Spain). The sample was analyzed by direct infusion and ionized by electrospray (with methanol containing 1% of NH4OH as ionizing phase) in positive reflector mode.
10
Hybrid QTOF Mass Spectrometry Analysis
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Conventional mass spectrometry analyses were performed on a hybrid QTOF analyzer, model QSTAR, Pulsar I, from AB Sciex (Framingham, MA, USA). Reaction samples were analyzed by direct infusion and ionized by electrospray (ESI-MS) with methanol as mobile phase in positive reflector mode.
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