<p><strong>This study develops a volatile fingerprinting approach for authenticating traditional sesame oil using HS-SPME-GC-MS with GC×GC-MS-assisted compound identification. Conventional GC-MS fingerprints were evaluated by similarity analysis, while GC×GC-MS improved identification of volatile markers in authentic and adulterated samples.</strong></p><p>The method detected maize oil dilution at levels as low as 5% and sesame oil essence adulteration from 0.2%. Principal component analysis and sensory evaluation supported the fingerprint-based classification, demonstrating a reproducible strategy for detecting different types of sesame oil adulteration.</p><blockquote><h4><strong>The original article</strong></h4><h4><a target="_blank" rel="noopener noreferrer" href="https://www.sciencedirect.com/science/article/pii/S0889157526004205#sec0010"><strong>Volatile compound fingerprinting for traditional sesame oil authentication using GC-MS with GC×GC-MS-assisted identification&nbsp;</strong></a></h4><p>Ruibing Jin, Fuyun Kuang, Qi Meng, Lijin Wang, Huanlu Song, Xueping Feng, Mingshan Zou</p><p>Journal of Food Composition and Analysis, 2026, 155:109277</p><div><a target="_blank" rel="noopener noreferrer" href="https://doi.org/10.1016/j.jfca.2026.109277">https://doi.org/10.1016/j.jfca.2026.109277</a></div><h6>licensed under <a target="_blank" rel="noopener noreferrer" href="https://creativecommons.org/licenses/by/4.0/"><strong>CC-BY 4.0</strong></a></h6></blockquote><p><strong>Selected sections from the article follow. Formats and hyperlinks were adapted from the original.</strong></p><div><div><div><div><div><p>Sesame is cultivated worldwide for its nutritional value and flavor, especially in India, China, Myanmar, and Tanzania (<a target="_blank" rel="noopener noreferrer" href="https://www.sciencedirect.com/science/article/pii/S0889157526004205#bib23"><span>Yin et al., 2021</span></a>). Sesame oil (SO) is an edible oil made from sesame seeds roasted at high temperatures to produce the distinct aroma and then processed using pressing, leaching, or other methods (<a target="_blank" rel="noopener noreferrer" href="https://www.sciencedirect.com/science/article/pii/S0889157526004205#bib5"><span>Huang et al., 2024</span></a>, <a target="_blank" rel="noopener noreferrer" href="https://www.sciencedirect.com/science/article/pii/S0889157526004205#bib11"><span>Ma et al., 2022</span></a>). This traditional Chinese characteristic edible oil is extremely popular among consumers because of its high nutritional value and unique flavor. The unique aroma is an important indicator of quality and the main feature that distinguishes SO from other vegetable oils. SO contains fatty acids, vitamin E, and phytosterols that support cardiovascular health and anticarcinogenic processes (<a target="_blank" rel="noopener noreferrer" href="https://www.sciencedirect.com/science/article/pii/S0889157526004205#bib21"><span>Xu et al., 2025</span></a>), along with sesamin and other lignans that impart strong antioxidant and anti-corticosteroid properties (<a target="_blank" rel="noopener noreferrer" href="https://www.sciencedirect.com/science/article/pii/S0889157526004205#bib24"><span>Yin et al., 2024</span></a>). Owing to its nutritional and sensory values, the high retail price of SO has motivated adulteration with cheaper edible oils or SO essences (SOE). Therefore, the development of SO adulteration detection technologies such as fingerprinting is essential.</p><p>Fingerprinting technology typically involves using analytical detection and data processing methods to generate chromatograms/spectra of the separate sample components simultaneously. In China, fingerprinting is primarily used in the fields of traditional Chinese medicine, biology, and food production. To ensure the quality of traditional Chinese medicines, the Chinese Pharmacopoeia Commission developed the “Chinese Medicine Chromatographic Fingerprint Spectra Similarity Evaluation System” (Fingerprint Similarity System). After importing sample chromatograms, the software generates a reference fingerprint spectrum based on the retention times and peak heights, from which the similarity between the individual samples and reference spectrum is calculated. Samples with similarities &gt; 0.900 are considered highly compatible with the reference fingerprint (<a target="_blank" rel="noopener noreferrer" href="https://www.sciencedirect.com/science/article/pii/S0889157526004205#bib13"><span>National Medical Products Administration, 2000</span></a>). Chromatographic fingerprinting is particularly valuable for traditional SOs and reveals how variations in raw material origin or production processes influence the overall similarity of the volatile component profiles across samples. This enables more effective adulteration detection, origin discrimination, varietal differentiation, and characteristic substance analysis (<a target="_blank" rel="noopener noreferrer" href="https://www.sciencedirect.com/science/article/pii/S0889157526004205#bib3"><span>Fu et al., 2023</span></a>, <a target="_blank" rel="noopener noreferrer" href="https://www.sciencedirect.com/science/article/pii/S0889157526004205#bib14"><span>Shi et al., 2025</span></a>; <a target="_blank" rel="noopener noreferrer" href="https://www.sciencedirect.com/science/article/pii/S0889157526004205#bib15"><span>Sun et al., 2023</span></a>).</p><p>Volatile compound fingerprinting has been employed to characterize the volatile profiles of food products, enabling product discrimination and quality assessment (including identification and grading). <a target="_blank" rel="noopener noreferrer" href="https://www.sciencedirect.com/science/article/pii/S0889157526004205#bib16"><span>Sun et al. (2020)</span></a> analyzed volatile flavor compounds in SO and SO adulterated with soybean oil and identified characteristic compounds that can serve as indicators for adulteration. <a target="_blank" rel="noopener noreferrer" href="https://www.sciencedirect.com/science/article/pii/S0889157526004205#bib18"><span>Wang et al. (2024a)</span></a> used UV spectral fingerprints in combination with chemometric analytical methods to assess the quality of pressed SO with different levels of adulteration with refined SO. <a target="_blank" rel="noopener noreferrer" href="https://www.sciencedirect.com/science/article/pii/S0889157526004205#bib1"><span>Aghili et al. (2023)</span></a> analyzed the fatty acid compositions of diluted SO samples using an electronic nose (e-nose) and gas chromatography-mass spectrometry (GC-MS), revealing differences in the volatile profiles between the original and adulterated SO samples, which could aid in distinguishing adulterations. <a target="_blank" rel="noopener noreferrer" href="https://www.sciencedirect.com/science/article/pii/S0889157526004205#bib20"><span>Xing et al. (2019)</span></a> established fatty acid fingerprints capable of identifying sesame oil adulterated with rapeseed oil at levels as low as 5%. However, the sensitivity decreased for adulteration with corn oil, where only levels above 10% were detectable. Although <a target="_blank" rel="noopener noreferrer" href="https://www.sciencedirect.com/science/article/pii/S0889157526004205#bib26"><span>Zhang et al. (2016)</span></a> established a simple and rapid ion mobility spectrometry method to identify sesame oil adulterated with flavoring substances, its detection capability is limited to adulteration levels above 10%. However, few studies have assessed the performance of GC-MS-based fingerprinting in the concurrent detection of SO dilution and essence adulteration from volatile profiles.</p><p>Although the chromatographic fingerprint similarity evaluation system was originally developed for traditional Chinese medicines, it has recently been successfully applied to edible oils. For example, <a target="_blank" rel="noopener noreferrer" href="https://www.sciencedirect.com/science/article/pii/S0889157526004205#bib7"><span>Li et al. (2025)</span></a> established volatile fingerprints for fried pepper oils using the "Chinese Medicine Chromatographic Fingerprint Similarity Evaluation System" and adopted a similarity threshold of 0.900 for quality discrimination. Therefore, we characterized the volatile fingerprint of authentic traditional SO using headspace solid-phase microextraction (HS-SPME) coupled with two-dimensional GC (GC×GC)-MS; co-elution issues were resolved by parallel GC×GC-MS analysis, while fingerprint similarity was evaluated using the "Chinese Medicine Chromatographic Fingerprint Similarity Evaluation System" based on GC-MS data. By comparing this fingerprint with those of diluted SO by maize oil (MO) and sesame essence-adulterated oil, we investigated the accuracy of the fingerprint model. This study provides a scientific basis for quality control and authentication of traditional SO.</p><h4><strong>2. Materials and methods</strong></h4><h5><strong>2.4. GC×GC-MS</strong></h5><p>GC-MS (<a target="_blank" rel="noopener noreferrer" href="https://labrulez.com/en-us/gcms/library?mainauthorItems=10&amp;search=8890"><strong>8890</strong></a>–<a target="_blank" rel="noopener noreferrer" href="https://labrulez.com/en-us/gcms/library?mainauthorItems=10&amp;search=5977B"><strong>5977B</strong></a>, Agilent Technologies, Santa Clara, CA, USA) with a solid-state modulator (SSM) 1800 (J&amp;X Technologies, Shanghai, China) was used to qualitatively analyze the volatile compounds of SO (B. <a target="_blank" rel="noopener noreferrer" href="https://www.sciencedirect.com/science/article/pii/S0889157526004205#bib17"><span>Wang et al., 2023</span></a>).</p><p>Volatile compounds were detected as previously described (<a target="_blank" rel="noopener noreferrer" href="https://www.sciencedirect.com/science/article/pii/S0889157526004205#bib2"><span>Duan et al., 2025</span></a>), with some modifications. Mass spectra were acquired over the range of 40–450 <i>m/z</i>. Ultra-purity helium (99.999% purity) served as the carrier gas, flowing at a rate of 1.2 mL/min. A splitless injection mode was used. The oven temperature program was set to 40 °C and held this temperature for 2 min, slowly increased to 230 °C at 4 °C per min, and held at 230 °C for 5 min. The detector temperature was set to 250 °C. The quadrupole temperature and transfer line temperature were 150 °C and 250 °C, respectively. An electron impact ion source with an electron energy of 70 eV was used. The ion source temperature was set to 230 °C. A full scan mode was applied for acquisition. Two columns were used inside the GC oven: the first was a polar column, DB-wax (30 m × 0.25 mm × 0.25 μm; Agilent Technologies); the second was a mid-polar column, DB−17 (mid-polar, 1.85 m × 0.18 mm × 0.18 μm; J&amp;X Technologies). SSM1800 was placed between them for the heating and cooling stages. The SSM modulation period was 4 s. GC×GC-MS was used solely for qualitative confirmation of compounds that co-eluted in GC-MS.</p><h5><strong>2.5. GC-MS</strong></h5><p>Volatile compounds were analyzed semi-quantitatively by GC-MS (<a target="_blank" rel="noopener noreferrer" href="https://labrulez.com/en-us/gcms/library?mainauthorItems=10&amp;search=7890A"><strong>7890A</strong></a>−<a target="_blank" rel="noopener noreferrer" href="https://labrulez.com/en-us/gcms/library?mainauthorItems=10&amp;search=7000B"><strong>7000B</strong></a>; Agilent Technologies), and 2-methyl−3-heptanone was used as an internal standard. GC-MS analysis was performed using a DB-wax column (polar, 30 m × 0.25 mm, 0.25 μm; Agilent Technologies, Folsom, CA, USA) to distinguish the volatile compounds. The carrier gas (ultra-pure helium, 99.999%) was delivered at a flow rate of 1.2 mL/min. The method, heating, and mass spectrometry conditions are consistent with those described in Section 2.4. All quantitative and fingerprint similarity analyses were based on the GC-MS data obtained from this section.</p><h4><strong>3. Results and discussion</strong></h4><h5><strong>3.2. Analysis of volatile compounds</strong></h5><p>The GC×GC-MS result of JH and the GC-MS results of JH, MSO 5 (50% MO), and MSE 3 (0.6% SOE) are shown in <a target="_blank" rel="noopener noreferrer" href="https://www.sciencedirect.com/science/article/pii/S0889157526004205#fig0005"><span>Fig. 1</span></a>. A total of 85 volatile compounds were identified in the SO, MSO, and MSE samples, and 33 common peaks were identified, including ketone (1), acid (1), nitrogen-containing compounds (16), sulfur-containing compounds (7), furans (3), aldehyde (1), and phenolic compounds (4, <a target="_blank" rel="noopener noreferrer" href="https://www.sciencedirect.com/science/article/pii/S0889157526004205#tbl0015"><span>Table 3</span></a>).</p><p><img src="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/Journal_of_Food_Composition_and_Analysis_2026_155_109277_Fig_1_A_and_B_respectively_represent_the_three_dimensional_chromatogram_and_two_dimensional_chromatogram_336c1e9b86.jpg" alt="Journal of Food Composition and Analysis, 2026, 155:109277: Fig. 1. (A) and (B) respectively represent the three-dimensional chromatogram and two-dimensional chromatogram of volatile compounds within the JH−1 sesame oil sample; (C)-(E) respectively represent the GC-MS results of volatile compounds within the JH−1, MSO 6 (50% MO), and MSE 3 (0.6% MSE)." srcset="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/thumbnail_Journal_of_Food_Composition_and_Analysis_2026_155_109277_Fig_1_A_and_B_respectively_represent_the_three_dimensional_chromatogram_and_two_dimensional_chromatogram_336c1e9b86.jpg 119w," sizes="100vw" width="1600" height="2107"></p><h5><strong>3.3. Establishment of GC-MS fingerprints and similarity analysis of volatile substances</strong></h5><p>The GC-MS volatile compound data from the test SO samples were imported into the Fingerprint Similarity System to generate chromatographic fingerprints. The reference fingerprint profile was constructed as the arithmetic mean of all profiles (<a target="_blank" rel="noopener noreferrer" href="https://www.sciencedirect.com/science/article/pii/S0889157526004205#fig0015"><span>Fig. 3</span></a>). Similarity values between the sample fingerprints and reference were calculated to evaluate compositional consistency. The SO samples showed a reference fingerprint similarity of 0.910–0.993 (<a target="_blank" rel="noopener noreferrer" href="https://www.sciencedirect.com/science/article/pii/S0889157526004205#tbl0020"><span>Table 4</span></a>), surpassing the 0.900 benchmark (<a target="_blank" rel="noopener noreferrer" href="https://www.sciencedirect.com/science/article/pii/S0889157526004205#bib10"><span>Ma et al., 2024</span></a>). This demonstrates a consistent composition of key volatile components across samples with minimal quality variation, satisfying the fundamental fingerprinting and quality assessment requirements for traditional SO.</p><p><img src="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/Journal_of_Food_Composition_and_Analysis_2026_155_109277_Fig_3_Reference_fingerprint_of_volatile_compounds_b17f79ad1a.jpg" alt="Journal of Food Composition and Analysis, 2026, 155:109277: Fig. 3. Reference fingerprint of volatile compounds in traditional SO established by GC-MS. Different numbers are represented the different compounds in Table 2." srcset="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/thumbnail_Journal_of_Food_Composition_and_Analysis_2026_155_109277_Fig_3_Reference_fingerprint_of_volatile_compounds_b17f79ad1a.jpg 245w," sizes="100vw" width="1600" height="584"></p><h4><strong>4. Conclusion</strong></h4><p>This study established a volatile compound fingerprinting method using HS‑SPME‑GC‑MS with GC×GC‑MS‑assisted identification for the authentication of traditional sesame oil. A total of 33 common volatile peaks were identified, with pyrazines and guaiacol as major contributors. OPLS‑DA models (R²Y &gt; 0.98, Q² &gt; 0.97) demonstrated robust discrimination between authentic and adulterated oils, as well as between the two adulteration types. Compounds with VIP &gt; 1 and p &lt; 0.05 were identified as potential key markers. Selected key markers were then subjected to external standard quantification, and the obtained absolute concentrations were used to perform PCA. All calibration curves showed excellent linearity (R² &gt; 0.997), and the external standard PCA clearly separated sesame oil essence from all other samples. Fingerprint similarity analysis, validated by ROC (AUC = 1.000, optimal cutoff 0.8935), showed that adulterated samples had similarity values below 0.9, clearly distinguishing them from authentic oils. The method successfully detected maize oil dilution adulteration as low as 5% and sesame oil essence adulteration as low as 0.2%.</p><p>Compared with previous methods (<a target="_blank" rel="noopener noreferrer" href="https://www.sciencedirect.com/science/article/pii/S0889157526004205#bib1"><span>Aghili et al., 2023</span></a>; <a target="_blank" rel="noopener noreferrer" href="https://www.sciencedirect.com/science/article/pii/S0889157526004205#bib18"><span>Wang et al., 2024a</span></a>; <a target="_blank" rel="noopener noreferrer" href="https://www.sciencedirect.com/science/article/pii/S0889157526004205#bib20"><span>Xing et al., 2019</span></a>; <a target="_blank" rel="noopener noreferrer" href="https://www.sciencedirect.com/science/article/pii/S0889157526004205#bib26"><span>Zhang et al., 2016</span></a>), our approach uniquely detects both dilution and essence adulteration in a single workflow, achieves lower detection limits (5% for MO, 0.2% for SOE), and provides an intuitive 0.900 similarity threshold without complex chemometric modeling. While non‑destructive methods (e‑nose, IMS) are more suitable for rapid screening, our approach offers higher chemical specificity, the ability to distinguish between dilution and essence adulteration, and an intuitive similarity threshold. Current limitations include testing only maize oil and one essence type, and validation on laboratory‑prepared samples. Future work will expand to other adulterants (soybean, rapeseed oil) and blind commercial samples. Overall, this method provides a reproducible, empirically validated tool for traditional sesame oil authentication. Furthermore, external standard quantification in the present study was performed only for a selected set of key volatile markers (VIP&nbsp;&gt;&nbsp;1 and p&nbsp;&lt;&nbsp;0.05). The same approach can be extended to other compounds in future studies, enabling odor activity value (OAV) calculations for deeper insights into sensory contributions, more precise adulteration level prediction, and improved model robustness across different production batches.</p></div></div></div></div></div>

Volatile compound fingerprinting for traditional sesame oil authentication using GC-MS with GC×GC-MS-assisted identification

Comprehensive investigation of matrix effect evaluation approaches for reliable quantification in bioanalysis using UHPLC-MS/MS

<p><span><strong>This study compares loss-on-ignition, acid decarbonation, and combustion elemental analysis for measuring organic carbon in sediments using certified reference materials and real samples. Loss-on-ignition conversions were inaccurate, while acid washing before elemental analysis caused significant organic carbon loss and poor precision.</strong></span></p><p><span>Combustion pretreatment followed by elemental analysis provided accurate and precise organic and inorganic carbon measurements, confirmed by temperature-dependent combustion. Across more than 150 intertidal sediment samples, acid decarbonation underestimated organic carbon by 37% ± 8%, supporting combustion-based elemental analysis as the preferred approach for reliable sediment carbon determination.</span></p><blockquote><h4><strong>The original article</strong></h4><h4><a target="_blank" rel="noopener noreferrer" href="https://www.sciencedirect.com/science/article/pii/S0146638026000902#s0055"><strong>Comparing loss-on-ignition, acid decarbonation and combustion elemental analysis for measuring organic carbon concentrations – recommendations for best practice</strong></a></h4><p>Robert B. Sparkes, Stuart A. Rae, Lucy McMahon, Hannah L. Mossman, David McKendry, Clare E. Dean, Graham Tinsley, Frances Fowden, Connor J. Grisdale, Hafiza Begum, Holly Hope, Charlotte McEnhill, Samuel O’Boyle, Nawal Sohail, Marvyn Wachira, Rachel M. Dunk</p><p>Organic Geochemistry, Volume 218, 2026, 105215</p><div><a target="_blank" rel="noopener noreferrer" href="https://doi.org/10.1016/j.orggeochem.2026.105215"><span>10.1016/j.orggeochem.2026.105215</span></a></div><h6>licensed under <a target="_blank" rel="noopener noreferrer" href="https://creativecommons.org/licenses/by/4.0/"><strong>CC-BY 4.0</strong></a></h6></blockquote><p><strong>Selected sections from the article follow. Formats and hyperlinks were adapted from the original.</strong></p><div><div><div><div><div><p>Environmental and Earth scientists frequently require measurements of carbon contents, including both the total carbon concentration (TC) and the fractions contributed by carbon from organic matter (organic carbon; OC) and carbonate minerals (inorganic carbon; IC; <a target="_blank" rel="noopener noreferrer" href="https://www.sciencedirect.com/science/article/pii/S0146638026000902#b0025"><span>Bendle et al., 2009</span></a>, <a target="_blank" rel="noopener noreferrer" href="https://www.sciencedirect.com/science/article/pii/S0146638026000902#b0220"><span>Radabaugh et al., 2018</span></a>, <a target="_blank" rel="noopener noreferrer" href="https://www.sciencedirect.com/science/article/pii/S0146638026000902#b0230"><span>Saderne et al., 2019</span></a>, <a target="_blank" rel="noopener noreferrer" href="https://www.sciencedirect.com/science/article/pii/S0146638026000902#b0240"><span>Scheingross et al., 2019</span></a>, <a target="_blank" rel="noopener noreferrer" href="https://www.sciencedirect.com/science/article/pii/S0146638026000902#b0260"><span>Smeaton et al., 2021</span></a>, <a target="_blank" rel="noopener noreferrer" href="https://www.sciencedirect.com/science/article/pii/S0146638026000902#b0295"><span>Vonk et al., 2012</span></a>, <a target="_blank" rel="noopener noreferrer" href="https://www.sciencedirect.com/science/article/pii/S0146638026000902#b0315"><span>Wood et al., 2021</span></a>).</p><p>Accurate, precise, and affordable carbon concentration measurements are critical to the drive towards net-zero emissions, which requires monitoring, reporting and verification of carbon burial and release from an array of global environments (<a target="_blank" rel="noopener noreferrer" href="https://www.sciencedirect.com/science/article/pii/S0146638026000902#b0210"><span>Post et al., 2001</span></a>, <a target="_blank" rel="noopener noreferrer" href="https://www.sciencedirect.com/science/article/pii/S0146638026000902#b0265"><span>Smith, 2004</span></a>, <a target="_blank" rel="noopener noreferrer" href="https://www.sciencedirect.com/science/article/pii/S0146638026000902#b0270"><span>Smith et al., 2020</span></a>). Carbon concentration measurements also underpin further analyses (e.g. normalising the concentration of individual biomarker compounds against the total organic carbon concentration, calculating elemental carbon to nitrogen ratios (<a target="_blank" rel="noopener noreferrer" href="https://www.sciencedirect.com/science/article/pii/S0146638026000902#b0290"><span>van Dongen et al., 2008</span></a>), determining the correct sample load for isotope ratio measurements). Despite carbon concentration measurements being ubiquitous throughout multiple disciplines there is no standard approach for making these, especially determining the organic component of the sedimentary carbon (<a target="_blank" rel="noopener noreferrer" href="https://www.sciencedirect.com/science/article/pii/S0146638026000902#b0080"><span>Fest et al., 2022</span></a>, <a target="_blank" rel="noopener noreferrer" href="https://www.sciencedirect.com/science/article/pii/S0146638026000902#b0320"><span>Young et al., 2018</span></a>). Different disciplines have often generated their own consensus approach, which may not align with studies from another field, even those working on similar samples and asking similar questions (<a target="_blank" rel="noopener noreferrer" href="https://www.sciencedirect.com/science/article/pii/S0146638026000902#b0070"><span>Farmer et al., 2014</span></a>). Use of an agreed standard measurement protocol for carbon concentrations, or understanding the agreement/variability between protocols, is vital for regulatory monitoring, reporting and verification (MRV), such as the ongoing development of carbon offsetting standards that, if implemented robustly, could provide real-world benefits to climate mitigation (<a target="_blank" rel="noopener noreferrer" href="https://www.sciencedirect.com/science/article/pii/S0146638026000902#b0035"><span>Bonn et al., 2014</span></a>, <a target="_blank" rel="noopener noreferrer" href="https://www.sciencedirect.com/science/article/pii/S0146638026000902#b0045"><span>Burden et al., 2023</span></a>, <a target="_blank" rel="noopener noreferrer" href="https://www.sciencedirect.com/science/article/pii/S0146638026000902#b0105"><span>Guizar-Coutiño et al., 2022</span></a>, <a target="_blank" rel="noopener noreferrer" href="https://www.sciencedirect.com/science/article/pii/S0146638026000902#b0190"><span>Needelman et al., 2018</span></a>, <a target="_blank" rel="noopener noreferrer" href="https://www.sciencedirect.com/science/article/pii/S0146638026000902#b0205"><span>Pan et al., 2022</span></a>). Determining a standardised, verified approach to carbon measurement is important for those performing MRV, who may not have access to advanced and/or expensive analytical instrumentation.</p><p>This study compares three common methods for quantifying the total and organic carbon concentrations in sedimentary samples: i) loss-on-ignition, ii) elemental analysis combined with acid decarbonation, and iii) elemental analysis combined with organic matter combustion. The comparison focuses on assessing the accuracy, precision, and repeatability of each method, identifying their respective strengths and weaknesses, and independently confirming findings via a fourth method (temperature dependent combustion and infrared CO<sub>2</sub> measurement) to provide recommendations for best practice. A summary review of these methods is provided below.</p><h4><strong>2. Materials and methods</strong></h4><h5><strong>2.3. Independent testing of reference materials via TDC</strong></h5><p>Standards were analysed by the supplier (Elemental Microanalysis Ltd, UK) as part of the certification process: 15/30 elemental analysis measurements gave expected values of TC, OC and IC and the uncertainty for TC, following ISO/IEC17025. These values were independently checked using an <a target="_blank" rel="noopener noreferrer" href="https://labrulez.com/en-us/icpms/library?mainauthorItems=16&amp;search=Soli+TOC"><strong>Elementar SoliTOC cube</strong></a> instrument at the instrument manufacturer’s headquarters (Elementar Analysensysteme, Hanau, Germany), which used the TDC method. Two combustion ramps were applied, first a two-step OC and IC determination at 500 °C and 900 °C, and then a three-step programme at 400 °C and 600 °C for easily-combustible and residual OC fractions and 900 °C for IC, with three repeat measurements of each. The SoliTOC cube instrument also analysed the agricultural soil sample, again making three repeat measurements of both the two-step and three-step temperature dependent combustion protocols (see Supplementary Table 3).</p><h5><strong>2.5. Elemental analysis</strong></h5><p>Total carbon concentrations were measured following the protocol described in <a target="_blank" rel="noopener noreferrer" href="https://www.sciencedirect.com/science/article/pii/S0146638026000902#b0180"><span>Mossman et al. (2022)</span></a>. 20&nbsp;mg of either untreated or pre-treated sample was weighed into tin capsules (Elemental Microanalysis Ltd.) and analysed for carbon concentrations using a Vario EL cube elemental analyser (Elementar Ltd.). Before each analytical run, the instrument was cleaned using three blanks without oxygen and seven blanks with oxygen, and calibrated using five analyses of up to 14&nbsp;mg ethylenediaminetetraacetic acid (EDTA) standard (Elemental Microanalysis Ltd.) and three analyses of an independent Soil Standard (Clay) CRM, acquired separately to the Soil Standard (Clay) CRM used to create analytical samples for this study (Elemental Microanalysis Ltd.). Three analyses of the EDTA calibration standard were repeated after every twenty samples. Long-term drift was monitored by repeated measurements of an internal laboratory standard sample, which has been analysed since 2015. Over the course of 65 measurements across 10 instrument runs for this study the laboratory standard showed no systematic drift.</p><h4><strong>3. Results and discussion</strong></h4><h5><strong>3.1. Testing of certified reference materials (CRMs) using temperature dependent combustion (TDC)</strong></h5><p>Both two-step and three-step TDC protocols consistently measured carbon contents close to but slightly below the supplier-certified values (see <a target="_blank" rel="noopener noreferrer" href="https://www.sciencedirect.com/science/article/pii/S0146638026000902#f0005"><span>Fig. 1</span></a>). For Soil Standard (Clay), the TDC instrument under-estimated OC by 0.10&nbsp;wt% (two-step) and 0.14&nbsp;wt% (three-step) and IC by 0.15&nbsp;wt% (two-step) and 0.087&nbsp;wt% (three-step). For Soil Standard (Peaty) the TDC instrument underestimated OC by 0.26&nbsp;wt% (two-step) and 0.34&nbsp;wt% (three-step), and IC by 0.021&nbsp;wt% (two-step) and 0.090&nbsp;wt% (three-step). Relative differences for OC are small, 5.1 – 7.0% for Clay and just 1.7 – 2.2% for Peaty, but higher for IC due to the small amount of IC present in the standards (25 – 44% for Clay, 7.0 – 30% for Peaty).</p><p><img src="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/Organic_Geochemistry_Volume_218_2026_105215_Fig_1_Comparison_of_organic_carbon_and_inorganic_carbon_measurements_on_two_certified_reference_materials_using_four_methods_31537717b3.jpg" alt="Organic Geochemistry, Volume 218, 2026, 105215: Fig. 1. Comparison of organic carbon and inorganic carbon measurements on two certified reference materials using four methods. Upper panel is Soil Standard (Clay) and lower panel Soil Standard (Peaty). Yellow diamonds show the certified value (Elemental Microanalysis Ltd) with manufacturer stated uncertainty in total carbon used as error bars for OC and IC (n = 30). White and grey symbols represent Loss-on-Ignition results using four different organic matter to organic carbon conversion equations (grey sqaures use the “van Bemmelen” scaling factor (Pribyl, 2010), grey circles the Craft et al. (1991) factor, white diamonds the Ouyang and Lee (2020) equation and white circles the Smeaton et al. (2022) equation. IC values for all LoI results use the C/CO2 mass fraction (Wang et al., 2011). Blue circles show the acid decarbonation and elemental analysis protocol, orange circles the combustion and elemental analysis protocol. Green and purple circles show mean results from temperature dependent combustion method (2-step and 3-step protocols respectively). Error bars represent one standard deviation after multiple measurements (n = 2 to n = 4). (For interpretation of the references to colour in this figure legend, the reader is referred to the web version of this article.)" srcset="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/thumbnail_Organic_Geochemistry_Volume_218_2026_105215_Fig_1_Comparison_of_organic_carbon_and_inorganic_carbon_measurements_on_two_certified_reference_materials_using_four_methods_31537717b3.jpg 116w," sizes="100vw" width="2756" height="3698"></p><h5><strong>3.4. Reproducibility tests</strong></h5><p>Having shown that combustion coupled with elemental analysis was the most robust method for measuring OC in pure and diluted standards, the next experiment tested the reproducibility of these protocols over multiple implementations. A dried, ground agricultural soil sample was repeatedly analysed using each method (separate aliquots were measured using LoI at 500 °C and 800 °C, separate untreated aliquots were analysed via EA, separate aliquots were combusted at 500 °C and analysed via EA, and separate acid decarbonations were carried out prior to EA measurements). This required a large amount of starting material, more than was available in the CRMs. Independent external measurement of the soil sample using temperature dependent combustion (Elementar, Germany) gave mean OC&nbsp;=&nbsp;2.50&nbsp;±&nbsp;0.002&nbsp;wt% and IC&nbsp;=&nbsp;1.29&nbsp;±&nbsp;0.008&nbsp;wt% for combustion to 500 °C (n&nbsp;=&nbsp;3), whereas combustion to 600 °C gave OC&nbsp;=&nbsp;2.52&nbsp;±&nbsp;0.075 and IC&nbsp;=&nbsp;1.12&nbsp;±&nbsp;0.010&nbsp;wt% (n&nbsp;=&nbsp;3).</p><div><p>LoI showed differences in mean OC depending on the equation chosen (<a target="_blank" rel="noopener noreferrer" href="https://www.sciencedirect.com/science/article/pii/S0146638026000902#f0010"><span>Fig. 2</span></a>). The conversions of <a target="_blank" rel="noopener noreferrer" href="https://www.sciencedirect.com/science/article/pii/S0146638026000902#b0050"><span>Craft et al. (1991)</span></a> and <a target="_blank" rel="noopener noreferrer" href="https://www.sciencedirect.com/science/article/pii/S0146638026000902#b0200"><span>Ouyang and Lee (2020)</span></a> were similar to the independent measurements (2.90&nbsp;±&nbsp;0.05&nbsp;wt% and 2.60&nbsp;±&nbsp;0.07&nbsp;wt% respectively; n&nbsp;=&nbsp;9 for each), but the equations of <a target="_blank" rel="noopener noreferrer" href="https://www.sciencedirect.com/science/article/pii/S0146638026000902#b0255"><span>Smeaton et al. (2022)</span></a> and van Bemmelen over-estimated OC (4.19&nbsp;±&nbsp;0.05 and 4.21&nbsp;±&nbsp;0.08&nbsp;wt% respectively; n&nbsp;=&nbsp;9 for each). IC estimates using the C/CO<sub>2</sub> mass fraction conversion were higher than the expected value (1.91&nbsp;±&nbsp;0.06&nbsp;wt%, n&nbsp;=&nbsp;9). Note that the relative standard deviation for OC<sub>LoI</sub> was&nbsp;∼&nbsp;1.8%, and 3.2% for IC<sub>LoI</sub>, showing acceptable run-to-run precision.</p><p><img src="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/Organic_Geochemistry_Volume_218_2026_105215_Fig_2_Organic_and_inorganic_carbon_measurements_following_repeated_analysis_of_a_homogenised_soil_sample_via_multiple_methods_c5d62ece0b.jpg" alt="Organic Geochemistry, Volume 218, 2026, 105215: Fig. 2. Organic and inorganic carbon measurements following repeated analysis of a homogenised soil sample via multiple methods. Markers for each method are shown in the legend and are the same as Fig. 1. Small black circles and error bars show the mean and one standard deviation after multiple repetitions of each protocol (n = 9 for LoI, C-EA and AD-EA, n = 3 for TDC)." srcset="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/thumbnail_Organic_Geochemistry_Volume_218_2026_105215_Fig_2_Organic_and_inorganic_carbon_measurements_following_repeated_analysis_of_a_homogenised_soil_sample_via_multiple_methods_c5d62ece0b.jpg 204w," sizes="100vw" width="2363" height="1815"></p><p>Since OC<sub>C-EA</sub> and IC<sub>AD-EA</sub> were calculated by subtraction from mean TC<sub>EA</sub>, all data from the C-EA and AD-EA methods plotted on a straight line in <a target="_blank" rel="noopener noreferrer" href="https://www.sciencedirect.com/science/article/pii/S0146638026000902#f0010"><span>Fig. 2</span></a>, representing OC&nbsp;+&nbsp;IC&nbsp;=&nbsp;TC. However, position and scatter along that line varied between the two pre-treatment techniques. OC<sub>C-EA</sub> clustered just higher than the independent measurements using TDC (2.60&nbsp;±&nbsp;0.03&nbsp;wt%, n&nbsp;=&nbsp;9). Propagating the errors in TC and IC gave a combined error estimate of&nbsp;±&nbsp;0.1&nbsp;wt% for the repeated OC<sub>C-EA</sub> measurements. IC<sub>C-EA</sub> was also close to but slightly higher than the TCD results, 1.35&nbsp;±&nbsp;0.03&nbsp;wt%. AD-EA, however, gave mean OC values of 2.00&nbsp;±&nbsp;0.12&nbsp;wt% (n&nbsp;=&nbsp;9) which was more variable run-to-run than the other methods and gave a significantly (p&nbsp;&lt;&nbsp;0.0001) lower mean OC value than the TCD results. Once again, acid decarbonation results suggested that a large amount of organic matter was lost during the acid treatment, tested further in the next section.</p></div><h4><strong>4.3. Conclusions</strong></h4><p>An accurate, precise, efficient, and standardised method for measuring total, organic and inorganic carbon contents of sediment samples is critical for both scientific research and environmental monitoring and reporting and verification. We rigorously tested three methods for measuring carbon contents in soils and intertidal sediments, using certified reference materials and&nbsp;&gt;&nbsp;150 sediment samples. Loss-on-ignition (LoI) is cheap and easy but showed moderate run-to-run variability and, without careful calibration, it is not accurate.</p><p>Elemental analysis (EA) is an accurate and precise method for total carbon (TC) analysis. Measuring organic and inorganic carbon via EA requires pre-treatment of the sample, and this study tested both acid decarbonation and combustion preparation techniques. Acid decarbonation led to significant and variable organic carbon loss, meaning that true organic carbon concentrations are likely higher than those measured following acidification. Combustion pre-treatment was shown to efficiently remove organic matter, leading to accurate and precise results, and we would recommend making organic carbon measurements in this way.</p></div></div></div></div></div>

Comparing loss-on-ignition, acid decarbonation and combustion elemental analysis for measuring organic carbon concentrations – recommendations for best practice

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Thermo Scientific Qtegra Intelligent Scientific Data Solution Software

The Thermo Scientific™ Qtegra™ Intelligent Scientific Data Solution (ISDS) Software is a software platform built on four pillars.

<p><strong>The Thermo Scientific™ Qtegra™ Intelligent Scientific Data Solution (ISDS) Software is a software platform built on four pillars, designed to deliver a complete solution for laboratories depending on productivity, scalability, and quality results to achieve their goals.</strong></p><h5><strong>Intelligent</strong></h5><p>Built-in intelligence facilitates the <strong>full workflow from sample to results</strong>. Laboratories can be <strong>more reactive and profitable</strong>, with software that facilitates data driven decisions more efficiently.</p><h5><strong>Scientific</strong></h5><p>Developed with scientific integrity, Qtegra ISDS Software delivers high quality, reliable <strong>data that labs can trust</strong>. Data transparency lets laboratory personnel focus on other tasks while ensuring the utmost confidence in scientific collaboration.</p><h5><strong>Data</strong></h5><p>Data is the key to success for all laboratories. Qtegra ISDS Software can help labs excel at efficiently <strong>delivering consistent and relevant results</strong> with extensive tools to effectively acquire and manage data.</p><h5><strong>Solution</strong></h5><p>Laboratories can enjoy the familiarity of common <strong>software across multiple analytical systems</strong> while differentiating their offering through customizable and application specific workflows.</p><p><img src="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/Thermo_Fisher_Scientific_Thermo_Scientific_Qtegra_Intelligent_Scientific_Data_Solution_Software_2_78dbb0f7f5.jpg" alt="Thermo Fisher Scientific: Thermo Scientific Qtegra Intelligent Scientific Data Solution Software" srcset="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/thumbnail_Thermo_Fisher_Scientific_Thermo_Scientific_Qtegra_Intelligent_Scientific_Data_Solution_Software_2_78dbb0f7f5.jpg 217w," sizes="100vw" width="1535" height="1101"></p><h4><strong>Routine analysis</strong></h4><p>High-throughput production and contract testing laboratories benefit from the assistance and economy imparted through <strong>Qtegra ISDS Software</strong>. The design facilitates integration in a growing lab ecosystem, while <strong>intuitive workflow features</strong>, <strong>interference management </strong>and <strong>pertinent data visualization</strong> lets laboratories acquire and interpret data confidently, quickly, and with ease. Laboratories performing routine testing can ensure profitability through productivity, quality data, and right first-time analysis.</p><h4><strong>Scientific research</strong></h4><p>Researchers looking to push the boundaries of innovation in their field can focus intently on science, confident in the knowledge that Qtegra ISDS Software provides <strong>flexibility of customized configurations with multiple acquisition modes</strong> and <strong>data processing tools</strong> to probe and access new data. 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Thermo Scientific™ LipidSearch™ Software

Thermo Scientific™ LipidSearch™ software provides accurate identification of lipids and automatically integrates complex data into a concise report.

<h3><strong>The promise of lipidomics</strong></h3><p><strong>Lipidomics is a new field of study crucial for understanding cellular physiology and pathology. The application of lipidomic profiling to disease phenotype analysis is a rapidly growing aspect of translational medical research. Identification of unique lipid biomarkers has the potential to distinguish healthy individuals from individuals at risk for disease, detect diseases earlier, and facilitate development of personalized treatments.</strong></p><p>Liquid chromatography combined with mass spectrometry (LC/MS) is a widely adopted technique for lipidomics analyses. Relative and absolute quantitation, and identification, of lipids from biological samples requires sophisticated software with an extensive, comprehensive database.<strong> Thermo Scientific™ LipidSearch™ software provides accurate identification of lipids and automatically integrates complex data into a concise report. With its easy-to-use web-based interface, it dramatically reduces data analysis time.</strong></p><figure class="image"><img style="aspect-ratio:915/494;" src="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/Thermo_Scientific_Lipid_Search_Software_2_73b7d0a9e2.jpg" alt="Thermo Scientific™ LipidSearch™ Software: Easy-to-use web browser interface for automated and reliable identification." srcset="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/thumbnail_Thermo_Scientific_Lipid_Search_Software_2_73b7d0a9e2.jpg 245w," sizes="100vw" width="915" height="494"></figure><h3><strong>Automated identification and relative quantitation with LipidSearch software</strong></h3><p>LipidSearch software, developed jointly by Professor Ryo Taguchi and MKI, (Tokyo, Japan), is a powerful new tool for<strong> automatic identification and relative quantification of cellular lipid molecular species from large amounts of mass spectrometric data obtained in nano-infusion or LC-MS experiments. </strong>Using the industry-leading, high-resolution, accurate-mass <a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/products?category=5&amp;manufacturerItems=3&amp;search=orbitrap"><strong>Thermo Scientific Orbitrap™ technology</strong></a> with exclusive<strong> LipidSearch software</strong>, the most accurate and confident lipid profiles and identifications can be achieved more quickly than ever before.</p><ul><li><strong>Compatible with</strong> data acquired from Thermo Scientific™ triple quadrupole, ion trap, and Orbitrap mass spectrometers</li><li><strong>Largest lipid database</strong> containing <strong>&gt;1.5 million</strong> lipid ions and their predicted fragment ions</li><li><strong>Identification algorithms</strong> for product ion, precursor ion and neutral loss scans</li><li><strong>Alignment of lipid data</strong> obtained from multiple<strong> LC-MS and MS<sup>n</sup> experiments</strong></li><li><strong>Relative quantitation </strong>of identified lipid precursors in either LC-MS or infusion experiments</li></ul><p>The database contains <strong>defined structures and includes more than 1.5 million lipid ions and their predicted fragment ions. </strong>Fragmentation patterns are calculated and improved by using expert knowledge based on experimental results. Lipid adduct ions and MS<sup>n</sup> fingerprints are also included. Data are stored in XML files and are easily customized.</p><figure class="image"><img style="aspect-ratio:990/497;" src="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/Thermo_Scientific_Lipid_Search_Software_3_91f1458663.jpg" alt="Thermo Scientific™ LipidSearch™ Software: Lipid fragment ions related to lipid headgroup, fatty acids, and backbone." srcset="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/thumbnail_Thermo_Scientific_Lipid_Search_Software_3_91f1458663.jpg 245w," sizes="100vw" width="990" height="497"></figure><h3><strong>LipidSearch software provides an easy-to-use, automated workflow</strong></h3><p><strong>From peak detection to relative quantitaiton and identification, LipidSearch software provides an easy-to-use, automated workflow.</strong></p><p><img src="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/Thermo_Scientific_Lipid_Search_Software_4_2043f3d667.jpg" alt="Thermo Scientific™ LipidSearch™ Software: LipidSearch software provides an easy-to-use, automated workflow." srcset="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/thumbnail_Thermo_Scientific_Lipid_Search_Software_4_2043f3d667.jpg 245w," sizes="100vw" width="1122" height="530"></p><h4><strong>Step 1 Data Analysis Module — Peak Detection</strong></h4><ul><li><strong>Raw data file reading</strong></li><li><strong>Smart peak detection</strong></li></ul><p>The peak detection engine implemented in<strong> LipidSearch software </strong>can handle<strong> different MS experiments and platforms. </strong>The combination of unique peak detection algorithms, tailored for each experiment and instrument type, and mass spectral processing functions enables accurate peak detection.</p><p><strong>LipidSearch software provides two different identification algorithms as well as scoring algorithms:</strong></p><ul><li><strong>A group-specific algorithm</strong> identifies lipids based on the polar head groups or fatty acids using a combination of precursor ion scanning and neutral loss scans from lipids mixtures.</li><li><strong>The comprehensive ID algorithm</strong> is used for product ion scans and can discriminate each lipid by matching the predicted fragmentation pattern stored in the database.</li><li>LipidSearch software also provides a <strong>set of scoring algorithms</strong> to filter out lower probability results</li></ul><h4><strong>Step 2 Identification Module — Lipid Identification</strong></h4><ul><li><strong>Group-specific ID (targeted)</strong></li><li><strong>Comprehensive ID (untargeted)</strong></li><li><strong>Scoring algorithms</strong></li></ul><p><img src="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/Thermo_Scientific_Lipid_Search_Software_5_0abd534dd5.jpg" alt="Thermo Scientific™ LipidSearch™ Software: PG 17:0/17:0 Search Results." srcset="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/thumbnail_Thermo_Scientific_Lipid_Search_Software_5_0abd534dd5.jpg 245w," sizes="100vw" width="1003" height="456"></p><h4><strong>Step 3 Quantitation Module — Alignment and Quantitation</strong></h4><ul><li><strong>XIC peak integration</strong></li><li><strong>Retention time alignment</strong></li><li><strong>Relative quantitation</strong></li><li><strong>Statistical analysis</strong></li></ul><p>Prior to quantitation, lipid results from each sample are aligned within a retention time window. Identified lipids are quantified by detecting their precursor ions from full-scan MS and integrating extracted ion chromatograms.</p><p>Accurate peak areas are computed by denoising and smoothing the peak profiles prior to separating any partially overlapped peaks. Comparative analysis is then carried out between the multiple sample and control groups using <strong>t-test statistics.</strong> The mean peak area result for each group is displayed in a “box and whisker” plot.</p><figure class="image"><img style="aspect-ratio:1129/909;" src="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/Thermo_Scientific_Lipid_Search_Software_6_196073034c.jpg" alt="Thermo Scientific™ LipidSearch™ Software: Alignment results for CoQ7, [M+NH4]+." srcset="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/thumbnail_Thermo_Scientific_Lipid_Search_Software_6_196073034c.jpg 194w," sizes="100vw" width="1129" height="909"></figure><p>Using the industry-leading, high-resolution, accurate-mass <a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/products?category=5&amp;manufacturerItems=3&amp;search=orbitrap"><strong>Thermo Scientific™ Orbitrap™ technology</strong></a><strong> </strong>with exclusive<strong> LipidSearch software</strong>, achieve the most accurate and confident lipid profiles and identifications more quickly than ever before. For targeted quantitation, LipidSearch software also supports the <a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/products?category=5&amp;manufacturerItems=3&amp;search=tsq"><strong>Thermo Scientific TSQ triple quadrupole MS systems</strong></a><strong>. </strong>For both lipidomics workflows, LipidSearch software <strong>automatically integrates complex data into a combined report to dramatically reduce data analysis.</strong></p><p><img src="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/Thermo_Scientific_Lipid_Search_Software_7_f6a5102f0a.jpg" alt="Thermo Scientific™ LipidSearch™ Software." srcset="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/thumbnail_Thermo_Scientific_Lipid_Search_Software_7_f6a5102f0a.jpg 245w," sizes="100vw" width="924" height="570"></p><h5><strong>Minimum/Recommended PC Requirements</strong></h5><ul><li><strong>OS: </strong>Microsoft® Windows® 7 Professional (x64) or Windows 8 (x64); English language<br><strong>CPU: </strong>Quad - or multi-core CPU, 2 GHz or higher<br><strong>Memory:</strong> 8 GB RAM or higher<br><strong>HDD: </strong>50 GB free space for LipidSearch software; 500 GB hard drive<br>SSD (optional): 50 GB free space for LipidSearch software; 256 GB solid-state drive</li></ul>

Thermo Scientific™ ProSightPD Software

Perform comprehensive analysis of top-down proteomics data with Thermo Scientific™ ProSightPD™ software.

<div container-id="cq-colctrl-lt8" comp-id="B1"><div><h3><strong>Confident proteoform identification and characterization</strong></h3></div></div><div container-id="cq-colctrl-lt8" comp-id="B2"><div><p><strong>Uncover and confidently characterize proteoforms within complex matrices, including proteoforms containing truncations, alternative splices, and post-translationally modified proteins.</strong>&nbsp;</p><p>Extensive searches make use of <strong>various fragmentation methodologies (e.g., ETD, HCD, UVPD)</strong>, allowing you to make full use of the high-quality <strong>MS/MS data</strong> obtained when searching against the<strong> full biological complexity present in UniProt. </strong>With<strong> Thermo Scientific ProSightPD software, </strong>see what is really there and make the most of your data.</p><div><h3><strong>Key benefits</strong></h3><h5><strong>Sophisticated tools at your fingertips</strong></h5><p><strong>Utilize several search modes</strong> for identifying intact and truncated proteins. ProSightPD software offers the ability to search entire raw files or quickly select specific MS<sup>2</sup> scans for further searching. Information in UniProt enables the identification of modified or processed proteins.</p><h5><strong>Remove the guesswork from database management</strong></h5><p><strong>Import result files </strong>from<a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/products/1782"><strong> Proteome Discoverer</strong></a><strong> software</strong> or entire proteomes via UniProt formatted XML and FASTA files with Database Manager. Fully customize imported databases using thr<strong> ProSight Annotator GUI </strong>to characterize PTMs, disulfide bonds, mutations and truncations.</p><h5><strong>Intuitive user interface</strong></h5><p><strong>Analyze large datasets</strong> with many data files using <strong>ProSightPD nodes for </strong><a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/products/1782"><strong>Proteome Discoverer</strong></a><strong> software. </strong>Create multi-step searches and utilize built in results interpretation tools.</p><h3><strong>Search Types</strong></h3><div><p><strong>Different database search modes</strong> allow you to optimize data interrogation based upon your experimental needs. Searches are driven through the use of a node-based system allowing flexibility of experimental design.</p><p><img src="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/Thermo_Scientific_Pro_Sight_PD_Software_8a96430534.jpeg" alt="Thermo Scientific™ ProSightPD Software: ProSightPD Database Searching." srcset="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/thumbnail_Thermo_Scientific_Pro_Sight_PD_Software_8a96430534.jpeg 245w," sizes="100vw" width="960" height="540"></p><div><p>Further information relating to the two search modes, Absolute Mass Search and Biomarker Search.</p><p><img src="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/Thermo_Scientific_Pro_Sight_PD_Software_2_01f6c31076.jpeg" alt="Thermo Scientific™ ProSightPD Software: Complementary Search Types: Digging Deeper in Complex Samples." srcset="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/thumbnail_Thermo_Scientific_Pro_Sight_PD_Software_2_01f6c31076.jpeg 245w," sizes="100vw" width="960" height="540"></p><h3><strong>Database Management</strong></h3><div><p><strong>Confident proteoform identification </strong>is realized through the use of XML-formatted databases, ensuring that nothing is missed.</p><p><img src="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/Thermo_Scientific_Pro_Sight_PD_Software_3_db19f0cee9.jpeg" alt="Thermo Scientific™ ProSightPD Software: Database Manager: Add remove isoforms and PTMs." srcset="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/thumbnail_Thermo_Scientific_Pro_Sight_PD_Software_3_db19f0cee9.jpeg 245w," sizes="100vw" width="960" height="540"></p><div><p><strong>Improvements to data visualization</strong> ensure that you can better interact with and interpret your data, minimizing the time taken to deliver actionable results.</p><p><img src="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/Thermo_Scientific_Pro_Sight_PD_Software_4_575aa9dff5.jpeg" alt="Thermo Scientific™ ProSightPD Software: LFQ Visualizations." srcset="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/thumbnail_Thermo_Scientific_Pro_Sight_PD_Software_4_575aa9dff5.jpeg 245w," sizes="100vw" width="960" height="540"></p><h3><strong>ProSightPD nodes</strong></h3><p><strong>Top-Down Workflows:</strong> ProSightPD&nbsp;includes templates to easily build the most commonly used-top down data analysis workflows.</p><p><img src="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/Thermo_Scientific_Pro_Sight_PD_Software_5_4f28a7434d.jpg" alt="Thermo Scientific™ ProSightPD Software: ProSightPD 2.0: Tailored Workflows for All Types of Data." srcset="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/thumbnail_Thermo_Scientific_Pro_Sight_PD_Software_5_4f28a7434d.jpg 245w," sizes="100vw" width="740" height="400"></p></div></div></div></div></div></div></div>

Thermo Scientific™ Mass Frontier™ Spectral Interpretation Software

Transform your mass spectral data into knowledge quickly and easily using Thermo Scientific™ Mass Frontier™ spectral interpretation software. 

<p><strong>Transform your mass spectral data into knowledge quickly and easily using Thermo Scientific™ Mass Frontier™ spectral interpretation software. Take the challenge out of small molecule structural elucidation for metabolism, metabolomics, forensics, natural products, impurities, and degradants studies.</strong></p><p><strong>High-quality, curated experimental spectral and fragmentation libraries</strong> simplify the deconvolution, evaluation, interpretation and management of infusion, and LC, nominal mass, or high resolution mass spectral data. Streamline building and curating your library and sharing it with your colleagues and collaborators. <strong>Mass Frontier software complements Thermo Scientific™ </strong><a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/products/1759"><strong>Compound Discoverer™</strong></a><strong> software</strong> for routine-based small molecule discovery and identification.</p><h3><strong>See what's really there</strong></h3><ul><li>Deconvolute your nominal mass or high resolution LC-MS<sup>n</sup> or infusion data.</li><li>Capture all of your data, no matter how complex, with simple interrogation of all components.</li></ul><h3><strong>Know more unknowns</strong></h3><ul><li><strong>Transform </strong>your small molecule unknown data into actionable knowledge.</li><li><strong>Search </strong><a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/products/1764"><strong>mzCloud™</strong></a><strong> mass spectral library</strong>, the world's most comprehensive and structurally diverse fully curated mass spectral database.</li><li><strong>Maximize the utility of your MS<sup>n</sup> data</strong> for the confident identification of unknown with spectral tree searching.</li><li><strong>Enhance your confidence</strong> in proposed unknown candidate structures by using <strong>Thermo Scientific™ </strong><a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/products/1762"><strong>mzLogic™</strong></a><strong> algorithm</strong>, based on similarity searching to millions of fragment annotated spectra.</li></ul><figure class="image"><img style="aspect-ratio:740/405;" src="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/Thermo_Scientific_Mass_Frontier_Spectral_Interpretation_Software_3_167df5dc63.jpg" alt="Thermo Scientific™ Mass Frontier™ Spectral Interpretation Software: mzCloud mass spectral library." srcset="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/thumbnail_Thermo_Scientific_Mass_Frontier_Spectral_Interpretation_Software_3_167df5dc63.jpg 245w," sizes="100vw" width="740" height="405"></figure><h3><strong>Go from spectra to structure</strong></h3><ul><li>The HighChem Fragmentation Library™ includes <strong>&gt;54,000 fragmentation schemes, ∼ 220,000 individual reactions, and 256,000 chemical structures</strong>, all from peer-reviewed literature.</li><li>Spectral trees are fully annotated with fragmentation structures.</li><li><strong>FISh (fragment ion search) detection</strong> enables detection of structurally related compounds, indicating the site of transformations for drug metabolites.</li></ul><figure class="image"><img style="aspect-ratio:740/350;" src="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/Thermo_Scientific_Mass_Frontier_Spectral_Interpretation_Software_2_37f024ef32.jpg" alt="Thermo Scientific™ Mass Frontier™ Spectral Interpretation Software" srcset="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/thumbnail_Thermo_Scientific_Mass_Frontier_Spectral_Interpretation_Software_2_37f024ef32.jpg 245w," sizes="100vw" width="740" height="350"></figure><h3><strong>Build your pathways</strong></h3><ul><li>Interactively search more than <strong>370 curated</strong> <strong>biochemical pathways</strong> with<strong> Thermo Scientific™ Metabolika™</strong> pathway mapping.</li><li>Create and understand fragmentation pathways and mechanisms using advanced fragmentation scheme knowledge base drawn from more than 99% of published fragmentation pathways.</li></ul><figure class="image"><img style="aspect-ratio:740/410;" src="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/Thermo_Scientific_Mass_Frontier_Spectral_Interpretation_Software_4_7d1b4f8671.jpg" alt="Thermo Scientific™ Mass Frontier™ Spectral Interpretation Software: An example of an included Metabolika biological pathway, which can be fully edited and added to." srcset="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/thumbnail_Thermo_Scientific_Mass_Frontier_Spectral_Interpretation_Software_4_7d1b4f8671.jpg 245w," sizes="100vw" width="740" height="410"></figure><h3><strong>Store, share and utilize your knowledge</strong></h3><ul><li><strong>Translate your data into actionable knowledge:</strong> create, curate and store your own spectral libraries and pathways.</li><li><strong>Ensure the highest quality proprietary libraries</strong> with full curation and mass recalibration tools.</li></ul><figure class="image"><img style="aspect-ratio:740/345;" src="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/Thermo_Scientific_Mass_Frontier_Spectral_Interpretation_Software_5_e89924a0b7.jpg" alt="Thermo Scientific™ Mass Frontier™ Spectral Interpretation Software: The new curator module automates spectral tree curation, fragment annotation and mass recalibration for your proprietary compounds to build a high quality curated local MSn library." srcset="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/thumbnail_Thermo_Scientific_Mass_Frontier_Spectral_Interpretation_Software_5_e89924a0b7.jpg 245w," sizes="100vw" width="740" height="345"></figure>

Thermo Scientific Chromeleon CDS Enterprise

Chromeleon CDS Enterprise is a scalable, cloud-ready chromatography data system for multi-site labs. Ensures compliance, connectivity, uptime, and productivity.

<p><strong>A Chromatography Data System (CDS), networked or enterprise, is vital for compliant, efficient and reliable operation of any modern chromatography laboratory – it will manage all the analytical processes from instrument control, to raw data storage and processing, right through to generating the final results.</strong></p><p>Delivering these capabilities across a network brings a unique set of challenges. <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/products/76"><strong>Thermo Scientific™ Chromeleon™ CDS</strong></a> has been designed and optimized to overcome these challenges. The Chromeleon software architecture can connect multiple sites and locations to a central data center with the same performance as a fully local operation. With its forward-looking architecture Chromeleon CDS is cloud-ready today.</p><p>Chromeleon software supports your chromatography operation throughout your enterprise – from research to routine quality testing – connecting people, instruments and other laboratory software, while delivering proven productivity gains for faster return on investment (ROI).</p><p><img src="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/application::product.product/Thermo-Chromeleon-CDS-Enterprise-2.jpg" alt="Thermo Scientific Chromeleon CDS Enterprise" width="null" height="null"></p><h3><strong>Chromeleon CDS brings…</strong></h3><h4><strong>…compliance</strong></h4><ul><li>Highest degree of data integrity and traceability with comprehensive security tools</li><li>eReports and eSignatures ensure regulatory compliance</li><li>Automated software and instrument qualification routines and qualification monitoring</li><li>Supports GLP, GMP and 21 CFR Part 11 regulatory requirements</li><li>Complete audit trails with versioning and advanced review functions</li></ul><h4><strong>…connectivity</strong></h4><ul><li>Built for scalable network deployment</li><li>Utilize instruments suiting your business’s needs</li><li>Easily interface with relevant laboratory software (including LIMS/ELN)</li><li>Chromeleon SDK available for custom integrations</li><li>Cloud-ready with central management and simplified deployment</li></ul><h4><strong>…confidence</strong></h4><ul><li>Unique network failure protection ensures 24/7 laboratory uptime</li><li>Future proof and scalable software solution</li><li>Access to up-to-date laboratory performance information</li><li>XVault technology enables operation even during network outages</li><li>Automatic instrument and software qualification checks</li></ul><h4><strong>…productivity</strong></h4><ul><li>Increased efficiency via toolset providing ‘right first time’ analysis</li><li>Reduced data processing time using built-in smart tools</li><li>eWorkflow™ procedures, Smart Startup, IRC and SST automation</li><li>SmartLink, Cobra Wizard and batch processing tools for fast, reliable data review</li><li>Fully customizable Report Designer and structured reporting templates</li></ul>

Thermo Scientific Chromeleon CDS Mass Spectrometry Software

Chromeleon CDS unifies MS workflows with full compliance, remote access, and seamless control of Thermo Scientific MS instruments in a scalable, secure platform.

<div><div><p><strong>Consolidate your mass spectrometry (MS) laboratory with robust support for targeted quantitation and screening workflows in biopharma, environmental, and food safety sectors.</strong></p><p><strong>Connect instruments, users, and data</strong> in a centralized scalable server-based system, providing remote data access and central management of methods, templates, and reports.<strong> Full support</strong> for GMP compliance helps ensure data integrity, traceability, and verification throughout the data lifecycle. Native control of Thermo Scientific MS instruments, including <strong>single quadrupole, triple quadrupole </strong>and <strong>high-resolution accurate mass</strong> (HRAM), enables robust instrument operations.</p><p><a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/products/76"><strong>Thermo Scientific Chromeleon Chromatography Data System (CDS) Software </strong></a>combines with industry-leading Thermo Scientific MS instrumentation to deliver an&nbsp;outstanding solution for targeted MS<sup>n</sup> quantitation workflows.</p><h3><strong>Key Chromeleon features</strong></h3><div><div><div><h4><strong>Built for MS workflows</strong></h4><p>Chromeleon Software supports targeted quantitation and screening MS workflows by providing a comprehensive solution for data acquisition, processing, and reporting. See how the software facilitates advanced data analysis and integrates seamlessly with other software tools to enhance the efficiency and reliability of your MS workflows. Examples include:</p><ul><li><a target="_blank" rel="noopener noreferrer" href="https://www.thermofisher.com/cz/en/home/industrial/pharma-biopharma/pre-clinical-and-clinical-drug-testing/small-molecule-bioanalysis-dmpk.html"><strong>Bioanalysis:</strong></a><strong> </strong>Take advantage of simultaneous MS data acquisition, automated system suitability testing, spectral library integration, and data exchange with <a target="_blank" rel="noopener noreferrer" href="https://www.thermofisher.com/cz/en/home/digital-solutions/lab-informatics/lab-information-management-systems-lims/solutions/watson.html">Thermo Scientific Watson LIMS.</a></li><li><a target="_blank" rel="noopener noreferrer" href="https://www.thermofisher.com/cz/en/home/industrial/pharma-biopharma/biopharmaceutical-analytical-testing/intact-protein-analysis-workflows.html"><strong>Intact proteins:</strong></a><strong>&nbsp;</strong>Achieve high-quality results with optimized algorithms for both isotopically resolved and unresolved data, MS<sub><sup>1</sup></sub> - MS<sub><sup>3</sup></sub> targeted library searching, and deliver high-throughput, accurate results.</li><li><a target="_blank" rel="noopener noreferrer" href="https://www.thermofisher.com/cz/en/home/industrial/pharma-biopharma/biopharmaceutical-analytical-testing/multi-attribute-method.html?erpType=Global_E1"><strong>Multi-Attribute Method (MAM):</strong></a><strong>&nbsp;</strong>Combine the flexibility of <a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/products/1837"><strong>Thermo Scientific BioPharma Finder Software</strong></a><strong> </strong>with compliance-ready Chromeleon Software to deliver a powerful MAM workflow.</li><li><a target="_blank" rel="noopener noreferrer" href="https://www.thermofisher.com/cz/en/home/industrial/food-beverage/food-analytical-testing/persistent-organic-pollutants-food.html"><strong>Dioxin, PCBs, and POPs analysis:</strong></a><strong>&nbsp;</strong>Use built-in advanced internal standard techniques for accurate quantitation in complex matrices and automate sequence creation, calculations and reporting.</li><li><a target="_blank" rel="noopener noreferrer" href="https://www.thermofisher.com/cz/en/home/industrial/environmental/environmental-contaminant-analysis/emerging-contaminants/pfas-testing.html"><strong>PFAS analysis:</strong></a><strong>&nbsp;</strong>Combine Chromeleon Software with <a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/products/1759"><strong>Thermo Scientific Compound Discoverer Software</strong></a> for compliant MS data acquisition, advanced discovery, identification, and targeted processing, and reporting.</li><li><a target="_blank" rel="noopener noreferrer" href="https://www.thermofisher.com/cz/en/home/industrial/food-beverage/food-analytical-testing/pesticide-residues-analysis.html"><strong>Pesticide analysis:</strong></a><strong>&nbsp;</strong>Utilize out-of-the-box workflows for fast and simple processing with tailored view settings, automated cross-confirmation, and adherence to SANTE guidelines.</li></ul><div><div><div><h4><strong>Single software solution</strong></h4><p>Increase <strong>productivity with a single software solution</strong> for your entire laboratory and eliminate the complexity of multiple data systems to <strong>simplify training, streamline workflows, and reduce manual processes</strong> across your lab.</p><p>Supporting a broad range of <strong>MS and chromatography techniques</strong> within one intuitive platform, the <strong>consistent user experience spans all analyses</strong>—regardless of deployment model—and includes <strong>complete coverage from instrument control to data acquisition, processing, and reporting</strong> for both front-end separation and MS detection.</p><div><div><div><h4><strong>Control and access from anywhere</strong></h4><p>Keep your operations running <strong>smoothly and securely</strong>, whether working in the lab or remotely. Deliver <strong>secure, remote access</strong> to instruments and data, making it easy to <strong>monitor runs, review results, and manage workflows from anywhere</strong>.</p><p><strong>Reduce IT overhead</strong> with streamlined system management using tools like the <strong>built-in updater</strong> to automate centralized rollout of maintenance packages, operating system updates, antivirus updates, among others, across the entire installation.</p><p>Help ensure <strong>data security</strong> with comprehensive <strong>system access control</strong>, auditing, and reporting using powerful querying capabilities facilitated by <strong>automated, centralized data storage</strong> with a <strong>secure relational database</strong>.</p><div><div><div><h4><strong>Built-in resilience and scalability</strong></h4><p>Achieve <strong>resilient, scalable performance</strong> across your laboratory operations. Designed for <strong>continuous uptime with zero data loss</strong>, the software features <strong>best-in-class automated network failure protection</strong> to keep your laboratory running and protect your data.</p><p>Its <strong>flexible architecture scales effortlessly</strong> from small, on-premise installations to large, multi-site deployments—on-premise, in the cloud, or virtual—without the need for reinstallation—while maintaining a <strong>consistent user experience</strong>.</p><p>Safeguard your data at every stage with <strong>robust network architecture and multi-layered security</strong>, eliminating single points of failure. With Chromeleon Software, your lab stays <strong>secure, connected, and ready to grow</strong>.</p><div><div><div><h4><strong>Enabling regulatory compliance</strong></h4><p>Chromeleon Software is designed from the ground up to help MS and chromatography labs <strong>simplify achieving, maintaining and demonstrating compliance</strong> to rigorous regulatory standards such as <strong>GxP, ISO, and 21 CFR Part 11</strong>. It provides <strong>powerful tools to help ensure data integrity</strong>, including <strong>extensive user access controls</strong>, <strong>comprehensive time-stamped audit trails</strong>, and <strong>result versioning capabilities</strong>. <strong>Electronic signatures and automated reporting</strong> enable efficient data review by exception, allowing for <strong>quick identification and resolution of discrepancies</strong>. These features work together to support laboratories in maintaining <strong>secure, traceable, and compliant workflows</strong>.</p></div></div></div></div></div></div></div></div></div></div></div></div></div></div></div></div></div>

Thermo Scientific™ Chromeleon™ Chromatography Data System (CDS) Software

Run your lab on an intuitive, user-friendly Chromatography Data System (CDS) that also scales from workstation to global deployment. 

<div><div container-id="cq-colctrl-lt1" comp-id="A1"><div><h2>End the compromise between lab efficiency and IT needs</h2></div></div><div container-id="cq-colctrl-lt1" comp-id="A2"><div><p><strong>Run your lab on an intuitive, user-friendly Chromatography Data System (CDS) that also scales from workstation to global deployment. Connecting people, instruments, and enterprise data management, Thermo Scientific Chromeleon CDS delivers productivity gains, data integrity, and full support of GMP compliance for chromatography, third party systems, including capillary electrophoresis, and Thermo Scientific mass spectrometry instruments.</strong></p><p>Built-in Chromeleon eWorkflow™ provides you with the means to go from injection to final results in just three mouse clicks. Chromeleon CDS provides data security, audit-trails documentation and simplified reviews, and is built around a relational database to provide comprehensive coverage of functionality to adhere to GMP and data integrity guidelines.&nbsp;</p><p>Its service-oriented architecture allows for the fastest performance by separating high-load tasks to run in individual processes on dedicated hardware. With significant advances in system architecture delivering faster processing, particularly for MS users, and enhanced network stability for large networks through balanced distribution of data management and domain administration loads, your lab can perform like never before.</p><p>Chromeleon Enterprise Software effectively scales to accommodate over<strong> 1000 instruments</strong> and seamlessly connects users worldwide within a tiered enterprise system.</p><p>And now with the<strong> </strong><a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/products/1821"><strong>Thermo Scientific Ardia Platform</strong></a><strong>&nbsp;</strong>connected software environment, you can super-charge your Chromeleon CDS with enhanced lab management tools and Ardia Server-side processing for even faster MS/MS data handling speeds.&nbsp;</p><p><img src="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/Thermo_Scientific_Chromeleon_Chromatography_Data_System_CDS_Software_9_7afc16ebb0.jpg" alt="Thermo Scientific™ Chromeleon™ Chromatography Data System (CDS) Software" srcset="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/thumbnail_Thermo_Scientific_Chromeleon_Chromatography_Data_System_CDS_Software_9_7afc16ebb0.jpg 245w," sizes="100vw" width="2570" height="1086"></p><div><h3><strong>Key CDS features</strong></h3></div><div><p>A networked or enterprise CDS is vital for compliant, efficient and reliable operation. Streamline your workflows using software that was built with both the lab and IT in mind. Scale from a single workstation up to global, multi-site deployment with a solution designed for tracking, accountability, and QA/QC that is incredibly easy to use, with fewer mouse clicks.</p><p>Chromeleon CDS supports more than<strong> 500 chromatography instruments</strong>, including third-party capillary electrophoresis systems and Thermo Scientific single/triple quadrupole as well as high-resolution accurate-mass (HRAM) mass spectrometry instruments in a single data system.</p></div><div colctrl-id="5-1"><div><div container-id="cq-colctrl-lt3" comp-id="A1"><div><div data-seo-schema="" data-seo-element="description"><div><h4><strong>Workstation</strong></h4><p><strong>Instruments, intelligence, insight</strong></p><p>Chromeleon CDS delivers ease of use, comprehensive instrument control, automated data analysis and flexible reporting.</p><ul><li>Eliminate errors and simplify training using eWorkflow procedures&nbsp;</li><li>Achieve more "right-first-time" analyses using Smart Startup and Intelligent Run Control</li><li>Accelerate data processing, reviewing and reporting with dynamic updating and smart tools built in</li></ul></div></div><figure class="image"><img style="aspect-ratio:2682/600;" src="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/Thermo_Scientific_Chromeleon_Chromatography_Data_System_CDS_Software_2_45040ea7dd.jpg" alt="Thermo Scientific™ Chromeleon™ Chromatography Data System (CDS) Software: Workstation" srcset="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/thumbnail_Thermo_Scientific_Chromeleon_Chromatography_Data_System_CDS_Software_2_45040ea7dd.jpg 245w," sizes="100vw" width="2682" height="600"></figure><div data-seo-schema="" data-seo-element="description"><div><h4><strong>Workstation Connect</strong></h4><p><strong>Security, sharing, support</strong></p><p>Convert multiple workstations to a small network to realize many benefits of enterprise without the effort or expense.</p><ul><li>Remote instrument control and data processing</li><li>Compliance and data integrity tools as standard</li><li>Improved sharing and security of data without need for a separate server</li><li>Access guaranteed support response times</li></ul><p><img style="aspect-ratio:2682/600;" src="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/Thermo_Scientific_Chromeleon_Chromatography_Data_System_CDS_Software_3_92167c8126.jpg" alt="Thermo Scientific™ Chromeleon™ Chromatography Data System (CDS) Software: Workstation Connect" srcset="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/thumbnail_Thermo_Scientific_Chromeleon_Chromatography_Data_System_CDS_Software_3_92167c8126.jpg 245w," sizes="100vw" width="2682" height="600"></p></div></div><div data-seo-schema="" data-seo-element="description"><div><h4><strong>Enterprise</strong></h4><p><strong>Compliance, connectivity, confidence</strong></p><p>Support your scientific business and digital transformation goals from single laboratory to global, multi-site, cloud-based deployment.&nbsp;</p><ul><li>Manage instruments, procedures, and protocols in a single software</li><li>Connect multiple sites to a central data server with the same performance as a fully local operation</li><li>Integrate with other informatics solutions: LIMS, LES or ELN</li></ul><p><img src="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/Thermo_Scientific_Chromeleon_Chromatography_Data_System_CDS_Software_4_16c82a693c.jpg" alt="Thermo Scientific™ Chromeleon™ Chromatography Data System (CDS) Software: Enterprise" srcset="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/thumbnail_Thermo_Scientific_Chromeleon_Chromatography_Data_System_CDS_Software_4_16c82a693c.jpg 245w," sizes="100vw" width="2682" height="600"></p><div><h3><strong>Focus areas</strong></h3></div><div colctrl-id="6-1"><div><div container-id="cq-colctrl-lt4" comp-id="A1"><div><div data-seo-schema="" data-seo-element="description"><div><h4><strong>Built for the Lab</strong></h4><p><strong>Analyze without compromise</strong></p><ul><li>Meet compliance and productivity needs</li><li>Designed for chromatography, CE, and MS (including HRAM)</li><li>Customizable user interface</li><li>Amplified spreadsheet-based custom reporting engine</li><li>Achieve more “right-first-time” analyses</li></ul><p><img src="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/Thermo_Scientific_Chromeleon_Chromatography_Data_System_CDS_Software_5_b25345a248.jpg" alt="Thermo Scientific™ Chromeleon™ Chromatography Data System (CDS) Software: Built for the Lab" srcset="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/thumbnail_Thermo_Scientific_Chromeleon_Chromatography_Data_System_CDS_Software_5_b25345a248.jpg 245w," sizes="100vw" width="2682" height="600"></p></div></div><div data-seo-schema="" data-seo-element="description"><div><h4><strong>Built for IT</strong></h4><p><strong>Standardize without compromise</strong></p><ul><li>Meet stability and data security needs</li><li>Ensure business continuity</li><li>Go beyond 1000+ connected users/instruments/workstations without affecting performance</li><li>Benefit from centralized management</li><li>Deliver strong, reliable ROI</li><li>Ability to adapt to your infrastructure</li></ul><p><img src="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/Thermo_Scientific_Chromeleon_Chromatography_Data_System_CDS_Software_6_253bc4812c.jpg" alt="Thermo Scientific™ Chromeleon™ Chromatography Data System (CDS) SoftwareBuilt for IT" srcset="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/thumbnail_Thermo_Scientific_Chromeleon_Chromatography_Data_System_CDS_Software_6_253bc4812c.jpg 245w," sizes="100vw" width="2682" height="600"></p></div></div><div data-seo-schema="" data-seo-element="description"><div><h4><strong>Built for Compliance</strong></h4><p><strong>Optimize without compromise</strong></p><ul><li>Utilize built-in features to establish and maintain your validated state&nbsp;</li><li>Schedule automated data management tasks</li><li>Simplify meeting latest regulatory requirements</li><li>Streamline with centralized data and audit trail review</li><li>Benefit from our rigorous testing</li></ul><p><img src="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/Thermo_Scientific_Chromeleon_Chromatography_Data_System_CDS_Software_7_40b07fccc8.jpg" alt="Thermo Scientific™ Chromeleon™ Chromatography Data System (CDS) Software: Built for Compliance" srcset="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/thumbnail_Thermo_Scientific_Chromeleon_Chromatography_Data_System_CDS_Software_7_40b07fccc8.jpg 245w," sizes="100vw" width="2682" height="600"></p></div></div><div data-seo-schema="" data-seo-element="description"><div><h4><strong>Built for MS</strong></h4><p><strong>Specialize without compromise</strong></p><ul><li>Leverage MS productivity tools for up to 10x faster processing</li><li>Optimize background processing whilst freeing the UI</li><li>Utilize built-in MS workflow packages and report templates</li><li>Gain confidence in results with support for cross-technique confirmation</li></ul><p><img src="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/Thermo_Scientific_Chromeleon_Chromatography_Data_System_CDS_Software_8_94a5adf2cb.jpg" alt="Thermo Scientific™ Chromeleon™ Chromatography Data System (CDS) Software: Built for MS" srcset="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/thumbnail_Thermo_Scientific_Chromeleon_Chromatography_Data_System_CDS_Software_8_94a5adf2cb.jpg 245w," sizes="100vw" width="2682" height="600"></p></div></div></div></div></div></div></div></div></div></div></div></div></div></div></div>

Thermo Scientific™ TraceFinder™ Software

Driven by a powerful and intuitive set of acquisition and data processing tools, Thermo Scientific TraceFinder software provides rapid access to your results and increases output across the entire laboratory.

Products focused on Software - page 3

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