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Agilent masshunter workstation

Manufactured by Agilent Technologies
Sourced in United States, Germany

The Agilent MassHunter Workstation is a software suite designed for data acquisition, analysis, and reporting of mass spectrometry data. It provides a comprehensive set of tools for instrument control, data processing, and interpretation.

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20 protocols using agilent masshunter workstation

1

Mass Spectrometric Analysis of PFAAs

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Mass spectrometric measurements were performed on an Agilent Ultivo system (Agilent Technologies GmbH, Waldbronn, Germany) with electrospray ionization performed in negative mode. Detection was performed in dynamic multi-reaction-monitoring mode, with two characteristic mass transitions for each analyte. Exceptions were PFBA and PFPeA; one characteristic transition was used for each of these. Due to the short length of the carbon chain, only one characteristic transition could be identified with a sufficiently strong response. The mass transitions with retention time for all analytes and internal standards are listed in Table S3. The Agilent MassHunter workstation (Aquisition V 1.1 and Quant V 10.0; Agilent Technologies GmbH, Waldbronn, Germany) was used for instrument operation and quantitative evaluation. The Limits of Quantification for each individual PFAA ranged between 0.01 µg/kg (PFHxA) and 0.32 µg/kg (PFHpS). Recovery rates ranged between 95% (PFHpA) and 115% (PFBS). Detailed data for both limits of detection and quantification and recovery rates are given in the Tables S4 and S5.
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2

Comprehensive 2D NQO1 Biochromatography Analysis

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The comprehensive 2D NQO1 biochromatography system was aboard on an Agilent 1200 series high-performance liquid chromatography system combined with time-of-flight mass spectrometer (TOFMS), controlled by Agilent MassHunter Workstation (Agilent Technologies, Palo Alto, CA, USA). With ammonia acetate as the mobile phase, the NQO1 column was used as the first-dimensional column. Besides, an Agilent Poroshell 120 EC-C18 column was used as the second dimension, with acetonitrile and 0.1% formic acid as the mobile phase. The relevant operating details of the comprehensive 2D NQO1 column/C18 column/TOFMS system could be referred to in the literature [22 (link), 23 (link)]. The system was equilibrated for 30 min, and 3 µL of the Scutellaria baicalensis extract was injected into the system. In order to obtain the comprehensive 2D NQO1 biochromatographic analysis results, system collects at least two fractions across a retention peak. Therefore, the collection period of each round was set to 2.5 min. Subsequently, the machine collected the information on the stable retention behavior and molecular structure of components in extract of Scutellaria baicalensis. Relevant data were analyzed for baseline correction and 2D mapping of retention behavior.
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3

HPLC-DAD-MS/MS Quantification of Phenolic Compounds

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For the HPLC-DAD-MS/MS, all required conditions were maintained as described by Obied et al. [2 (link)] with minor modifications. The total run time was 70 min including the MS procedure, and was performed in both the negative and positive ion mode (m/z 100−1200). Results were analyzed using an Agilent Mass Hunter workstation version B.01.04 2008 (Agilent Technologies, Waldbronn, Germany).
For quantitative determination, each extract was analyzed in triplicate at 280 nm and the mean reported. Sinapic acid (0.0625 to 1100 μg/mL) was used as the standard to generate a calibration curve for quantification (R2 = 0.9935) and concentrations expressed as milligram of sinapic acid equivalent per gram of dry weight (mgSAE/g DW).
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4

Targeted Metabolomics Analysis using LC-MS/HRMS

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The analytical equipment consisted of a 1200 series LC system from Agilent Technologies (Palo Alto, CA, USA) coupled with a dual electrospray ionization source and a high-resolution Agilent 6540 quadrupole–time of flight detector QTOF (LC–MS/HRMS).
Agilent MassHunter Workstation (version B6.00 Profinder, Agilent Technologies, Santa Clara, CA, USA) was used for data acquisition. MassHunter Qualitative v7.0 software and MetaboAnalyst 5.0 (https://metaboanalyst.ca/, accessed on 9 January 2023) were used for targeted extraction of MS/MS information, metabolomics data analysis, and interpretation.
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5

Untargeted metabolomics of fasting sera

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An untargeted metabolomics assay was performed in fasting sera from 206 participants using an Agilent 6890 gas chromatography system coupled with a 5975B mass spectrometer (Agilent Technologies, USA). The pretreatment method of the plasma sample and chromatographic separation were described in our previous work [37 (link)]. The mass spectrometry scan range is 30–550 m/z. Ion source temperature and quadrupole temperature, 230 °C and 150 °C, respectively. Identification and relative quantification of metabolites were carried out using the Agilent Mass Hunter Workstation (Agilent Technologies, USA).
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6

Metabolomics Analysis of Polar and Non-Polar Compounds

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Data analysis for polar and non-polar metabolites were performed by UC Davis Metabolomics Core. Briefly, differences in metabolite abundances were determined via two-way ANOVA followed by t test with a Benjamini-Hochberg procedure to identify pairwise changes (Wanichthanarak et al., 2017 (link)). Heatmap with hierarchical clustering analysis (distance metric: Euclidian, agglomeration method: complete) was performed on the average intensity of each group level to examine the correlation amongst the metabolites (Wanichthanarak et al., 2017 (link)).
Data analysis for acylcarnitines was performed by University of Utah Metabolomics Core Research Facility. Briefly, results from LC-MS experiments are collected using Agilent Mass Hunter Workstation and analyzed using the software package Agilent MassHunter Quant B.07.00. Carnitines were quantitated based on peak area ratios to the isotopically labeled standards added to the extracts.
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7

Ultra-High-Resolution LC-MS Characterization

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For complete
chemical characterization of SKP17LIV01, we used fingerprint analysis
by ultra-high-resolution LC–MS. Mass spectra were recorded
by electrospray ionization in both negative and positive modes using
an Agilent 1290 Infinity UHPLC System (MS Q-TOF, model G6550A, Agilent
Technologies, CA, USA) equipped with a C-18 stainless steel column
(30 cm × 0.46 cm). The capillary voltage was kept at 80 V, and
the air (nebulizing gas) pressure was 35 psi. Full scan data acquisition
was performed by scanning from m/z 50 to 1000 with isolation width ≈4.0 amu. The oven temperature
was set to 40 °C, and mobile phase A consisted of 100% water,
whereas mobile phase B consisted of a mixture of 90% acetonitrile,
10% water, and 0.1% formic acid. Sample (0.02 mL) was injected. A
flow rate of 0.2 mL/min was used. An elution gradient ranging from
5% B to 95% B from 0 to 20 min was used. Identification of major compounds
was accomplished by analyzing the molecular ion peak and base peak
using an Agilent MassHunter Workstation (Agilent Technologies CA,
USA).
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8

Comparative Metabolomic Analysis of Herbs

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Data analysis was performed on Agilent MassHunter Workstation software-Qualitative Analysis (version B.04.00, Build 4.0.479.5, Service Pack 3, Agilent Technologies, Inc. 2011). The acquired data in MassHunter Qualitative Analysis software were extracted using the molecular feature extraction (MFE) algorithm and imported into Mass Profier Professional (MPP) V.12.5 for principal component analysis (PCA) to display the difference between the root and aerial parts of eight herbal samples.
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9

Comprehensive 2D HPLC-TOFMS Analysis of ACE2 Interactions

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The comprehensive 2D ACE2 column/C18 column/TOFMS system was performed on an Agilent 1200 series HPLC system coupled with a 6220 TOF mass spectrometry consisting of an auto-sampler, which was controlled by Agilent MassHunter Workstation (Agilent Technologies, Palo Alto, CA, USA). As shown in Supporting Information Fig. S1, the ACE2 column (10 mm × 2.0 mm i.d., 5 μm) was equipped as the first dimensional column with 10 mmol/L ammonia acetate as the mobile phase, and the flow rate set at 0.2 mL/min. For the second dimension, an Agilent Poroshell 120 EC-C18 column (150 mm × 3.0 mm i.d., 2.7 μm) was applied with the mobile phase composed of solvent A (0.1% formic acid) and solvent B (acetonitrile) at 0.4 mL/min. The linear gradient elution program is: 0–12 min, 5%–20% B; 12.01–17 min, 20%–70% B; 17.01–20 min, 5% B. Other detailed parameters, modules and operations of the comprehensive 2D system were described in our previous studies27 (link),28 (link).
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10

Monosaccharide and Uronic Acid Composition Analysis

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GC-MS-based monosaccharide and uronic acid composition assays were performed after LFP-a1 sample was hydrolyzed in 2 mL of 2 M TFA at 110°C for 2 h and derived into alditol acetates or N-propylaldonamlde acetates according to the method of Lehrfeld [20 (link)] and loaded on an Agilient 7000C GC/MS Triple Quard system (Agilent Technologies, Santa Clara, CA, USA) equipped with an Agilent HP5-ms capillary column (30 m × 0.25 mm × 0.25 μm). Oven temperature was programmed as follows: 100°C for 3 min, then to 200°C at 20°C/min and 200°C for 2 min, to 230°C at 5°C/min and 230°C for 2 min; 280°C at 10°C/min 280°C for 8 min. Data was analyzed with Agilent MassHunter Workstation.
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