Solarix

Manufactured by Bruker

Sourced in Germany, United States

The SolariX is a high-performance Fourier transform ion cyclotron resonance (FT-ICR) mass spectrometer designed for advanced analytical applications. It provides high mass resolution and accuracy for the analysis of complex samples.

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Lab products found in correlation

Fleximaging 3, by Bruker (2 mentions) Apolo 2 esi source, by Bruker (2 mentions) Apollo 2, by Bruker (2 mentions) Infinity icr cell, by Bruker (2 mentions) Nanoacuity uplc, by Waters Corporation (1 mentions) Synapt g2, by Waters Corporation (1 mentions) Biotools, by Bruker (1 mentions) Compass dataanalysis 4, by Bruker (1 mentions) Dataanalysis 4, by Bruker (1 mentions) Acquity uplc, by Waters Corporation (1 mentions) Uhr qqtof mass spectrometer, by Bruker (1 mentions) Lipid standards, by Merck Group (1 mentions) Ammonium formate, by Biosolve (1 mentions) 2695 separations module, by Waters Corporation (1 mentions) Inova nmr spectrometer, by Agilent Technologies (1 mentions) Avance 300, by Bruker (1 mentions) Hilic column, by Waters Corporation (1 mentions) 12 t magnet, by Bruker (1 mentions) Ultraflextreme maldi tof tof mass spectrometer, by Bruker (1 mentions) Dd2 spectrometer, by Agilent Technologies (1 mentions)

34 protocols using solarix

Ultrahigh-Resolution Mass Spectrometry of Wines

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Ultrahigh resolution mass spectra were acquired using an FT-ICR-MS instrument (solariX, Bruker Daltonik, Bremen, Germany) equipped with a 12 Tesla superconducting magnet and an Apollo II electrospray ionization source operated in negative ionization mode.^{32 (link),36 (link),37 (link)} Fifty microliters of each wine were diluted in 1 mL of methanol. Diluted samples were introduced into the micro electrospray source at a flow rate of 120 µLh⁻¹ using a syringe pump. Each diluted sample was injected three times. The MS was externally calibrated on clusters of arginine (10 ppm) in methanol. Spectra were acquired with a time domain of four mega-words per second with a mass range from m/z 100 to 1000 Da.^{32 (link),38 (link),39 (link)} A total of 400 scans per sample were accumulated. Spectra were internally recalibrated with a reference list including fatty acids and recurrent wine compounds up to m/z 1000, with mass errors below 50 ppb.
The m/z peaks with a signal-to-noise ratio (S/N) of 4 and higher were exported to peak lists. All generated formulas were validated by setting plausible chemical constraints, including isotopic pattern search, N rule, O/C ratio ≤ 1, H/C ratio ≤ 2, element counts: C ≤ 100, H ≤ 200, O ≤ 80, N ≤ 3, S ≤ 3, and P ≤ 1.

Karbowiak T., Crouvisier-Urion K., Lagorce A., Ballester J., Geoffroy A., Roullier-Gall C., Chanut J., Gougeon R.D., Schmitt-Kopplin P, & Bellat J.P. (2019). Wine aging: a bottleneck story. NPJ Science of Food, 3, 14.

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Protein Subunits Separation and Characterization

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Resins (PLRP/S, 5 μm, 1000 Å) were packed into 100 μm IntegraFrit capillary (Waters Inc., Milford, MA). A NanoAcuity UPLC (Waters Inc., Milford, MA) was used to separate protein subunits. The gradient was delivered by a NanoAcuity UPLC (0–5 min, 15% solvent B; 5–35 min, 15–90% solvent B. Solvent A: water, 0.1% formic acid; Solvent B: acetonitrile, 0.1% formic acid) at a flow rate 1 μL/min. Two mass spectrometers, a hybrid ion-mobility quadrupole ToF (Synapt G2, Waters Inc., Milford, MA) and a 12 T FTICR mass spectrometer (Solarix, BrukerDaltonics, Bremen, Germany) were operated under normal ESI conditions (capillary voltage 1-2 kV, source temperature ~ 100 °C). The typical ECD pulse length was 0.4 s, ECD bias 0.4 V, and ECD lens 10 V. The ECD hollow cathode heater current was 1.6 A. MS parameters were slightly modified for each individual sample to obtain an optimized signal. For introduction to give ECD fragmentation, an Advion Triversa Nanomate sample robot infused the sample into the 12 T FTICR. Precursor ions were each isolated over a 10 m/z window. Data were processed by using Bruker Daltonics BioTools and Protein Prospector (from the University of California-San Francisco MS Facility web site). Manual data interpretations combined with software tools were adapted to achieve improved sequence coverage. The mass tolerance for fragment ions assignment was 0.02 Da.

Lu Y., Zhang H., Cui W., Saer R., Liu H., Gross M.L, & Blankenship R.E. (2015). Top-down Mass Spectrometry Analysis of Membrane-bound Light-Harvesting Complex 2 from Rhodobacter sphaeroides. Biochemistry, 54(49), 7261-7271.

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Lipidomics and FTICR-MS Analysis of Mineral Samples

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FTICR-MS and lipidomics (see section 3.6. below) analysis of mineral samples extracted with water (FTICR-MS) and then chloroform/methanol (lipidomics 57 ) was conducted at EMSL. Analyses were conducted on dried mineral samples from the 2-month time point.
We ran 3 biological replicates of each sample.
FTICR-MS analysis is discussed in detail in SI Methods. Briefly, samples were dried and extracted with MeOH for chemical characterization on a 12T Bruker SolariX FTICR mass spectrometry, as previously described in Tfaily et al. (2017, 2018) [58] [59] . Putative chemical formulas were assigned using Formularity software 60 . Compounds were plotted on van Krevelen diagrams based on their molar H:C ratios (y-axis) and molar O:C ratios (x-axis) 61 .

Neurath R., Pett‐Ridge J., Chu‐Jacoby I., Herman D.J., Whitman T., Nico P., Lipton A., Kyle J., Tfaily M., Thompson A., & Firestone M.K. (2021). Root carbon interaction with soil minerals is dynamic, leaving a legacy of microbially-derived residues.

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FT-ICR-MS Analysis of Complex Samples

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Fourier Transform-Ion Cyclotron Resonance Mass Spectrometry (FT-ICR-MS) was used with direct infusion of samples to an Apollo II electrospray ionization (ESI) source, working in negative mode ESI (−), coupled to a 12T FT-ICR-MS (SolariX, Bruker Daltonics, Bremen, Germany). Mass spectra were acquired in negative ionization mode with a flow rate of 120 µL/h within a mass range of 92–1000 Da. A total of 400 scans were accumulated for each sample. Raw spectra were calibrated using Compass DataAnalysis 4.2 (Bruker Daltonics, Bremen, Germany), and peaks with a signal-to-noise ratio (S/N) above 3 were considered. The two matrices (SPE; non SPE) were then obtained by aligning all spectra of each type within a 0.5-ppm alignment error (defined as the ratio of the difference between two aligned masses (m/z₁ − m/z₂) to one of these masses (m/z₁) × 10⁶). Molecular formulae were then assigned using an in-house developed software tool (NetCalc v2.0) [35 (link)].

Nicolas S., Bois B., Billet K., Romanet R., Bahut F., Uhl J., Schmitt-Kopplin P, & Gougeon R.D. (2023). High-Resolution Mass Spectrometry-Based Metabolomics for Increased Grape Juice Metabolite Coverage. Foods, 13(1), 54.

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MALDI-FTICR Mass Spectrometric Tissue Analysis

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MALDI-FTICR mass spectrometric analysis of the tissue sections were performed using a Bruker solariX mass spectrometer equipped with a 9.4 T superconducting magnet (Li et al. 2016 (link)). Data were collected in the positive ion mode, in broadband over a mass range of 100–1,200 m/z with a resolution of 200,000 at m/z 200; mass calibrations were performed externally using sodium trifluoroacetate (NaTFA), using 150 shots per scan by a Smart Beam II laser operating at 150 Hz, a laser focus of 50 µm. For MALDI MSI analysis, the entire tissue section was analyzed averaging 1 scan per spectrum (per pixel) with fixed raster step size (Tel region: 70 µm; TeO region: 85 µm; CC region: 80 µm; MO region: 50 µm). All the data were processed using DataAnalysis 4.0 (Bruker Daltonics) and FlexImaging 3.0 sofware (Bruker Daltonics).

Lam S.M., Li J., Sun H., Mao W., Lu Z., Zhao Q., Han C., Gong X., Jiang B., Chua G.H., Zhao Z., Meng F, & Shui G. (2022). Quantitative Lipidomics and Spatial MS-Imaging Uncovered Neurological and Systemic Lipid Metabolic Pathways Underlying Troglomorphic Adaptations in Cave-Dwelling Fish. Molecular Biology and Evolution, 39(4), msac050.

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Ultra-high Resolution FT-ICR-MS Analysis

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Prior to analysis, 15 mg of each sample were mixed with 1 ml methanol (LC-MS grade, Fluka Analytical; Sigma-Aldrich, St. Louis, USA) and sonicated for 30 min. After centrifugation (25,000 g, 10 min, room temperature), the supernatant was collected and re-diluted in methanol (1/50 v/v). Ultra high-resolution mass spectra were acquired using an Ion Cyclotron Resonance Fourier Transform Mass Spectrometer (FT-ICR-MS) (solariX, BrukerDaltonics GmbH, Bremen, Germany) equipped with a 12 Tesla superconducting magnet (Magnex Scientific Inc., Yarnton, GB) and an APOLO II ESI source (Bruker Daltonics GmbH, Bremen, Germany) operated in the negative ionization mode. Samples were introduced into the micro electrospray source at a flow rate of 120 μl.h^-1. The MS was externally calibrated on clusters of arginine (10 mg.l^-1 in methanol). Spectra were acquired with a time domain of four mega words over a mass range of 100 to 1,000 Da and 300 scans were accumulated per sample.

Adrian M., Lucio M., Roullier-Gall C., Héloir M.C., Trouvelot S., Daire X., Kanawati B., Lemaître-Guillier C., Poinssot B., Gougeon R, & Schmitt-Kopplin P. (2017). Metabolic Fingerprint of PS3-Induced Resistance of Grapevine Leaves against Plasmopara viticola Revealed Differences in Elicitor-Triggered Defenses. Frontiers in Plant Science, 8, 101.

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Lipid Extraction and Identification Protocol

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Lipid standards were purchased from Sigma Aldrich (St. Louis, USA) except for the plasmalogen standard, which was purchased from Avanti Polar Lipids, Inc. (Alabama, USA). Methanol, acetonitrile and water were used in LC-MS grade quality (CHROMASOLV®, Fluka® Analytical, Sigma-Aldrich). LC-MS grade n-propanol and ammonium formate were bought from BioSolve (Valkenswaard, Netherlands).
Fibroblasts (∼10⁶ for each sample, samples were normalized to identical cell numbers) were sonicated in 1 ml methanol for 15 s, centrifuged at 16,000×g for 15 min at 4°C, and the supernatant collected. A second methanol extraction was performed and the two supernatants were pooled. Lipids were similarly extracted from bacteria purified by density gradient centrifugation as described [42] . HILIC and RP LC-MS were performed on the crude lipid extracts with an ACQUITY UPLC® (Waters, Milford, USA) connected to an UHR QqToF mass spectrometer (maXis™, Bruker, Bremen, Germany). Molecules of interest were further analyzed at ultra-high resolution (<300,000 at m/z 300) and fragmented in negative electrospray ionization mode to identify the fatty acid side chains with an Ion Cyclotron Resonance Fourier Transform Mass Spectrometer (ICR-FT/MS, solariX™, Bruker Daltonics GmbH, Bremen, Germany) [45] (link). See Figure S1 and Movie S1 for further details and controls.

Boncompain G., Müller C., Meas-Yedid V., Schmitt-Kopplin P., Lazarow P.B, & Subtil A. (2014). The Intracellular Bacteria Chlamydia Hijack Peroxisomes and Utilize Their Enzymatic Capacity to Produce Bacteria-Specific Phospholipids. PLoS ONE, 9(1), e86196.

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Analytical Characterization of Compounds

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Most chemicals were purchased from Sigma-Aldrich Chemical (Milwaukee, WI). Silica gel-coated thin-layer chromatography (TLC) plates were purchased from Whatman (Clifton, NJ). NMR data were collected using 300 or 500 MHz Varian Inova NMR spectrometers (Palo Alto, CA) equipped with a 5 mm PFG Triple 1 H-13 C- 15 N probe, 5 mm PFG 1 H- 19 C-15 N-31 P switchable probe, or 4 mm 1 H- 13 C nanoprobe. Mass spectrometry was performed using a Bruker Solarix (Bremen, Germany). Highperformance liquid chromatography (HPLC) data were collected using a Waters 2695 Separations Module (Milford, MA) equipped with a PC HILIC column (5 μm, 2.0 mm I.D. × 150 mm). 99m Tc-pertechnetate (Na 99m TcO 4 ) was obtained from a commercial 99 Mo/ 99m Tc generator (Taipei Veterans General Hospital, Taiwan).

Chiu C.H., Yang D.J., Liou Y.C., Chang W.C., Yu T.H., Chung M.C., Lee Y.C., Chen I.J., Wang P.Y., Lin C.P., Tsay H.J, & Yeh S.H. (2024). Assessment of DNA/RNA Deregulation in Cancer Using ^99mTc-Labeled Thiopurine. Cancer biotherapy & radiopharmaceuticals, 39(5).

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High-resolution Mass Spectrometry of Methanol-prepared Samples

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Prior to analysis, 15 mg of each sample was prepared in methanol (LC–MS grade, Fluka Analytical; Sigma-Aldrich, St. Louis, MO, USA) as previously described [88 (link)]. Ultrahigh-resolution mass spectra were acquired using an ion cyclotron resonance fourier-transform mass spectrometer (FTICR-MS) (solariX, Bruker Daltonics GmbH, Bremen, Germany) equipped with a 12 T superconducting magnet (Magnex Scientific Inc., Yarnton, GB, USA) and an APOLO II ESI source (Bruker Daltonics GmbH, Bremen, Germany) operated in the negative ionization mode. Samples were introduced into the micro electrospray source at a flow rate of 120 μL·h⁻¹. Spectra were acquired with a time domain of 4 megawords over a mass range of 100 to 1000, and 300 scans were accumulated per sample.

Fernandez O., Lemaître-Guillier C., Songy A., Robert-Siegwald G., Lebrun M.H., Schmitt-Kopplin P., Larignon P., Adrian M, & Fontaine F. (2023). The Combination of Both Heat and Water Stresses May Worsen Botryosphaeria Dieback Symptoms in Grapevine. Plants, 12(4), 753.

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Murchison Meteorite Extraction and Analysis

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Fresh fragment (15–30 mg) of the Murchison meteorite was first washed with analytical grade methanol prior extraction by crushing the sample in an agate mortar with 1 mL methanol. For APPI experiments, 1 mL methanol and 40 µL toluene were used for the destructive extraction. The achieved mixture was recovered in an Eppendorf vial and centrifugated. The supernatant was directly infused in the FT-ICR MS. A similar procedure was previously used in different studies [3 (link),20 (link)].
The measurements were carried out with a 12 T FT-ICR mass spectrometer Solarix (Bruker Daltonics) and the parameters were optimized via software FTMS-Control V2.2.0 (Bruker Daltonics). For all the experiments, the mass spectra were acquired with a 4 megaword time-domain. Prior acquisition, the mass spectrometer was externally calibrated with arginine clusters (10 mg/L in methanol).

Hertzog J., Naraoka H, & Schmitt-Kopplin P. (2019). Profiling Murchison Soluble Organic Matter for New Organic Compounds with APPI- and ESI-FT-ICR MS. Life, 9(2), 48.

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