<p><strong>Our Library never stops expanding. What are the most recent contributions to LabRulezGCMS Library in the week of 14th September 2026? Check out new documents from the field of the gas phase, especially GC and GC/MS techniques!</strong></p><blockquote><p><span style="font-size:20px;">👉 </span><a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/library"><span style="font-size:20px;"><strong>SEARCH THE LARGEST REPOSITORY OF DOCUMENTS ABOUT GCMS AND RELATED TECHNIQUES</strong></span></a></p></blockquote><blockquote><p><strong>👉 Need info about different analytical techniques?</strong> Peek into <a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/library"><strong>LabRulezLCMS</strong></a> or <a target="_blank" rel="noopener noreferrer" href="https://icpms.labrulez.com/library"><strong>LabRulezICPMS</strong></a> libraries.</p></blockquote><p>This week we bring you application note by <strong>Agilent Technologies, </strong>poster<strong> </strong>by <strong>Shimadzu / AOAC </strong>and brochure by<strong> Thermo Fisher Scientific!</strong></p><h3><strong>1. Agilent Technologies: Analysis of Ethylene Glycol and Diethylene Glycol in Oral Syrup Containing Glycerin</strong></h3><p><strong>Using the Agilent 8890 GC system coupled with the Agilent 5977C GC/MSD</strong></p><ul><li>Application note</li><li><a target="_blank" rel="noopener noreferrer" href="https://labrulez.com/pdf/an_glycol_analysis_gc_ms_5994_9411en_agilent_e9dfb856ce.pdf"><strong>Full PDF for download</strong></a></li></ul><section><div><div><div><div><div><div><p>This study demonstrates the use of an <a target="_blank" rel="noopener noreferrer" href="https://labrulez.com/en-us/gcms/library?mainauthorItems=10&amp;search=8890"><strong>Agilent 8890 GC system</strong></a> coupled with the <a target="_blank" rel="noopener noreferrer" href="https://labrulez.com/en-us/gcms/library?mainauthorItems=10&amp;search=5977C"><strong>Agilent 5977C single quadrupole GC/MSD</strong></a> to detect and quantify ethylene glycol (EG) and diethylene glycol (DEG) in oral syrups containing glycerin per United States Food and Drug Administration (USFDA) recommendations.1 Samples were extracted using methanol, filtered through nylon filters, then followed by GC/MS analysis. Instrument Limit of Quantification (iLOQ) of 0.1&nbsp;ppm was achieved using internal standard calibration. A solvent-based calibration range was established from 0.1 to 4&nbsp;ppm.</p><h4><strong>Experimental</strong></h4><h5><strong>GC parameters</strong></h5><ul><li><strong>Inlet Temperature: </strong>240&nbsp;°C&nbsp;</li><li><strong>Analytical Column: </strong>DB-WAX GC column, 30&nbsp;m × 0.25&nbsp;mm, 0.50&nbsp;µm&nbsp;</li><li><strong>Injection Volume:</strong> 1&nbsp;µL&nbsp;</li><li><strong>Column Flow: </strong>Helium; 1.0&nbsp;mL/min, constant flow&nbsp;</li><li><strong>Injection Mode: </strong>Split (20:1)&nbsp;</li><li><strong>Oven Program:</strong> Start at 130&nbsp;°C (hold for 4&nbsp;min), ramp at 17&nbsp;°C/min to 195&nbsp;°C (hold for 4&nbsp;min), then at 35&nbsp;°C/min to 240&nbsp;°C (hold for 4&nbsp;min).&nbsp;</li><li><strong>MS Transfer Line Temperature: </strong>240&nbsp;°C&nbsp;</li></ul><h5><strong>MS Parameters&nbsp;</strong></h5><ul><li><strong>SIM Ions:</strong> 31, 33, 43, 75, 113&nbsp;</li><li><strong>Ion Source Temperature: </strong>230&nbsp;°C&nbsp;</li><li><strong>Quadrupole Temperature (Q1 and Q2):</strong> 150&nbsp;°C</li></ul><h4><strong>Conclusion&nbsp;</strong></h4><p>A sensitive and robust method was optimized for analysis of EG and DEG in oral syrups containing glycerin. The method uses an internal standard calibration using 2,2,2-trichloroethanol. Instrument LOQ was established at 0.1&nbsp;ppm level for both EG and DEG. This method meets the requirements per US FDA recommendations for EG and DEG testing.1 Therefore, this study demonstrates the usefulness of the developed method for routine analysis of oral syrup samples for EG and DEG analysis using GC/MS.</p><h3><strong>2. Shimadzu / AOAC: Investigation of Varietal Classification Method for Coffee Beans Using Aroma Compounds</strong></h3><ul><li>Application note</li><li><a target="_blank" rel="noopener noreferrer" href="https://labrulez.com/pdf/aoac_2026_17_e6687812af.pdf"><strong>Full PDF for download</strong></a></li></ul><p>Common coffee bean species are broadly classified into two types: Coffea arabica (Arabica) and Coffea canephora (Robusta). Among them, Arabica is superior in flavor and is highly favored as a specialty beverage. However, in recent years, there have been multiple reports of products sold claiming to be 100% Arabica while being adulterated with Robusta1) . A reported method for discriminating between the two is the analysis of lipophilic extracts of coffee beans using a benchtop NMR spectrometer1) . This method uses 16- O-Methylcafestol, which is present in Robusta but almost undetectable in Arabica, as a marker. However, it requires complicated pretreatment such as extraction and concentration. Therefore, in this Application News, we investigated a method to discriminate between Arabica and Robusta more easily and rapidly using GC-MS/MS and the statistical analysis software eMSTAT Solution.</p><h4><strong>Methods</strong></h4><h5><strong>Analytical Methods&nbsp;</strong></h5><p>Volatile compounds were concentrated and introduced into the GC-MS using the HS-SPME method and then analyzed under the conditions registered in the <a target="_blank" rel="noopener noreferrer" href="https://labrulez.com/en-us/gcms/library?mainauthorItems=1&amp;search=Smart+Aroma+Database"><strong>GCMS(/MS) Smart Aroma Database</strong> </a>(Table 2). The <a target="_blank" rel="noopener noreferrer" href="https://labrulez.com/en-us/gcms/library?mainauthorItems=1&amp;search=GCMS-TQTM8040+NX"><strong>GCMS-TQTM8040 NX</strong></a> and the <a target="_blank" rel="noopener noreferrer" href="https://labrulez.com/en-us/gcms/library?mainauthorItems=1&amp;search=AOC-6000"><strong>AOC-6000 multifunctional autosampler</strong></a><strong> </strong>system were used as the analytical instruments (Fig. 1). To verify whether rapid analysis is possible, a temperature ramp of 10˚C/min was adopted, and a low-polarity column was used to obtain stable retention times for each compound. Data acquisition was performed in Scan mode or MRM mode, and each sample was analyzed three times.</p><h4><strong>Conclusions&nbsp;</strong></h4><ul><li><strong>Clear Group Separation:</strong> Statistical analysis (PCA and cluster analysis) of data acquired in highly sensitive MRM mode clearly separated the two coffee bean types into distinct groups.&nbsp;</li><li><strong>Successful Discrimination:</strong> Our investigation suggested that the discrimination of Arabica and Robusta coffee beans based on aroma compounds is possible using the GCMS-TQ8040 NX, the Smart Aroma Database, and eMSTAT Solution.&nbsp;</li><li><strong>Intuitive and Comprehensive Workflow:</strong> Using eMSTAT Solution, statistical analysis and the creation of discrimination models can be easily performed without advanced expertise. Additionally, this method provides a comprehensive workflow that allows for the qualitative identification of key compounds contributing significantly to the discrimination</li></ul><h3><strong>3. Thermo Fisher Scientific: On-site gas analysis for ABO Thermo Scientific Antaris FTIR Aviator’s Breathing Oxygen (ABO) Gas Analysis System</strong></h3><ul><li>Brochure</li><li><a target="_blank" rel="noopener noreferrer" href="https://labrulez.com/pdf/on_site_gas_analysis_for_abo_br1828_en_4c3b71b244.pdf"><strong>Full PDF for download</strong></a></li></ul><p>The <strong>Thermo Scientific™ Antaris™ FTIR Aviator’s Breathing Oxygen (ABO) Gas Analysis System</strong> is a rugged, portable system that enables rapid validation of the compressed oxygen used by pilots and crew during flight operations. Use of sophisticated FTIR spectroscopic analysis enables detection of common contaminants that may be present due to the manufacturing process— contaminants such as methane, acetylene, and CFC/HCFC can be readily spotted and identified. The instrument’s sturdy design and FTIR spectroscopy’s ability to quantify multiple compounds in a single analysis make the Antaris ABO Analyzer a robust, readily deployable solution for validating the quality of aviator breathing oxygen.</p><h4><strong>Antaris FTIR Aviator’s Breathing Oxygen (ABO) Analyzer at a glance:</strong></h4><ul><li><strong>Components measured:</strong> Up to 25 components can be measured simultaneously, including freons, hydrocarbons, carbon monoxide, and carbon dioxide&nbsp;</li><li><strong>Sample type:</strong> Gas&nbsp;</li><li><strong>Dimensions:</strong> 51 in. (H) x 30.25 in. (W) x 41.5 in. (D)&nbsp;</li><li><strong>Weight:</strong> 240 kg&nbsp;</li><li><strong>Optional accessories:</strong> Purge gas generator, uninterruptible power supply, oxygen analyzer&nbsp;</li><li><strong>Voltage: </strong>120/240V</li></ul></div></div></div></div></div></div></section>

News from LabRulezGCMS Library - Week 38, 2026

<p><strong>Our Library never stops expanding. What are the most recent contributions to LabRulezLCMS Library in the week of 14th September 2026? Check out new documents from the field of liquid phase, especially HPLC and LC/MS techniques!</strong></p><blockquote><p><span style="font-size:20px;">👉 </span><a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/library"><span style="font-size:20px;"><strong>SEARCH THE LARGEST REPOSITORY OF DOCUMENTS ABOUT LCMS AND RELATED TECHNIQUES</strong></span></a></p></blockquote><blockquote><p><strong>👉 Need info about different analytical techniques?</strong> Peek into <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/library"><strong>LabRulezGCMS</strong></a> or <a target="_blank" rel="noopener noreferrer" href="https://icpms.labrulez.com/library"><strong>LabRulezICPMS</strong></a> libraries.</p></blockquote><p>This week we bring you application notes by <strong>Agilent Technologies </strong>and <strong>Waters Corporation </strong>and posters by <strong>Shimadzu / AOAC </strong>and<strong> Thermo Fisher Scientific / Metabolomics!</strong></p><h3><strong>1. Agilent Technologies: Improved Analysis of Intact Proteins and Peptides by Reversed Phase HPLC Using the Altura Ultra Inert PLRP-S 1000 Å Column</strong></h3><ul><li>Application note</li><li><a target="_blank" rel="noopener noreferrer" href="https://labrulez.com/pdf/an_altura_ultrainert_column_HPLC_analysis_5994_9322en_agilent_2b3a542647.pdf"><strong>Full PDF for download</strong></a></li></ul><p>Intact protein analysis by reversed-phase HPLC (RP-LC) plays a vital role in quality control for determining the purity of biotherapeutic proteins and improving the identification and quantification of critical quality attributes (CQAs). When coupled to mass spectrometric detection, it allows several things. First, an accurate molecular weight to be determined; second, the identification of variants containing post‑translational modifications (PTMs) and proteoforms; and third, the antibody-to-drug ratio in the case of antibody drug conjugates (ADCs).<sup>1</sup>&nbsp;</p><p>While many RP columns have a silica-based stationary phase to enable broader functionalization, residual acidic silanol groups can interact with basic residues in peptides, proteins, and other biomolecules, resulting in significant peak tailing and loss of chromatographic performance. Polystyrene/divinyl benzene (PS/DVB)-based stationary phases do not contain unintentional adsorption sites. Additionally, larger pore sizes have demonstrated superior chromatographic efficiency through less diffusion restriction into the pore volume and reduction of size exclusion mechanisms, degrading the RP-based selectivity.<sup>2</sup>&nbsp;</p><p>Wide-pore columns like the PLRP-S 1000Å provide an exceptional performance with biomolecules, particularly when combined with MS-compatible mobile phase conditions such as formic acid.&nbsp;</p><p>Even so, some undesirable interactions may be observed when using stainless-steel column hardware. Molecules that possess multiple negative charges (including oligonucleotides, phosphorylated peptides and proteins, and proteins with low isoelectric point in general) may interact with exposed metal ions in stainless-steel column hardware. This can result in the need to "deactivate" new columns by making multiple injections of sample until reproducible results are obtained.&nbsp;</p><p>This application note demonstrates how the new <a target="_blank" rel="noopener noreferrer" href="https://labrulez.com/en-us/lcms/library?mainauthorItems=10&amp;search=Altura+Ultra+Inert"><strong>Altura Ultra Inert </strong></a>PLRP-S 1000 Å column serves as an effective high-performance workhorse in the analysis of large, intact biomolecules. Developed to effectively block nonspecific adsorption during separations, Ultra Inert technology reduced passivation time 15-fold and delivered ~ 10% greater recovery for mAbs and ADCs and up to 100% for smaller biomolecules like GLP-1s and small globular proteins.</p><h4><strong>Experimental</strong></h4><h5><strong>Instrumentation&nbsp;</strong></h5><ul><li>Agilent 1290 Multicolumn thermostat (G7116B)&nbsp;</li><li>Agilent 1290 Bio multisampler (G7137A)&nbsp;</li><li>Agilent 1290 Bio high-speed pump (G7132A)&nbsp;</li><li><a target="_blank" rel="noopener noreferrer" href="https://labrulez.com/en-us/lcms/library?mainauthorItems=10&amp;search=6530"><strong>Agilent 6530 Q-TOF MS system</strong></a>&nbsp;</li></ul><h5><strong>Software and data processing&nbsp;</strong></h5><ul><li><a target="_blank" rel="noopener noreferrer" href="https://labrulez.com/en-us/lcms/library?mainauthorItems=10&amp;search=MassHunter+Workstation"><strong>Agilent MassHunter Workstation, version 10.1&nbsp;</strong></a></li><li><a target="_blank" rel="noopener noreferrer" href="https://labrulez.com/en-us/lcms/library?mainauthorItems=10&amp;search=MassHunter+Qualitative+Analysis"><strong>Agilent MassHunter Qualitative Analysis software, version&nbsp;B.07&nbsp;</strong></a></li><li>Agilent DAR calculator, version B01.01</li></ul><h4><strong>Conclusion&nbsp;</strong></h4><p>Intact mass analysis is a critical methodology to determine the purity of biotherapeutics, but due to the chemical complexity of these analytes, nonspecific adsorption from both silica stationary phase and metal column housing can be highly deleterious to separation performance. The Agilent Altura PLRP-S 1000 Å provides a highly robust solution combining the chemical inertness of polystyrene/divinyl benzene stationary phase with the ultra‑inert Altura hardware to dramatically reduce deleterious peak tailing and increase recovery for biotherapeutics. Herein, we see that analyte recovery for both mAbs, ADCs, GLP-1s, and globular proteins are improved versus stainless-steel, while the Altura PLRP-S column is capable of monitoring both quality critical PTMs such as loss of drug payload as well as accurate quantification of ADC DAR.</p><h3><strong>2. Shimadzu / AOAC: Ambient Ionization Mass Spectrometric Detection of Aroma Released During Gummy Chewing</strong></h3><ul><li>Poster</li><li><a target="_blank" rel="noopener noreferrer" href="https://labrulez.com/pdf/aoac_2026_47_2_34c41f762f.pdf"><strong>Full PDF for download</strong></a></li></ul><p>In recent years, there has been growing interest in evaluating flavor using analytical instrumentation, and retronasal aroma during eating is important. In this study, we proposed an analytical method for measuring retronasal aroma during eating using a single quadrupole mass spectrometer (<a target="_blank" rel="noopener noreferrer" href="https://labrulez.com/en-us/lcms/library?mainauthorItems=1&amp;search=2050"><strong>LCMS-2050</strong></a>) equipped with an ambient ion source (Dark Current Discharge Ionization : DCDI) without pretreatment.</p><h4><strong>Conclusion</strong></h4><p>We developed a simple method for evaluating retronasal aroma using a single quadrupole mass spectrometer with an ambient ionization source. Ambient ionization mass spectrometry (DCDI LCMS-2050) can rapidly measure retronasal aroma during eating. Time-resolved visualization reveals texture-dependent differences in aroma release dynamics among grape-flavored gummies. It is also expected to lead to the visualization of the marriage between food and alcohol. This approach may facilitate objective evaluation of flavor release during consumption and support product formulation and sensory science.</p><h3><strong>3. Thermo Fisher Scientific / Metabolomics: Orbitrap Tribrid Real-Time similarity searching of mzCloud library for guided unknown characterization of tea metabolites</strong></h3><ul><li>Poster</li><li><a target="_blank" rel="noopener noreferrer" href="https://labrulez.com/pdf/po_004849_lsms_rtls_tribrid_apex_small_molecule_metabolomics_po004849_na_en_d0d3156065.pdf"><strong>Full PDF for download</strong></a></li></ul><p>In metabolomics LC-MS data is processed to generate a list of detected compounds with a level of confidence in the identity of each compound based on reference data. This reference data may be spectral data and/or retention time information stored in a library or in silico information generated based on fragmentation rules. These annotated compounds are then used to evaluate biological changes between normal and disease states. One of the major hurdles between collected data and coming to reliable conclusions about the biology is the limited number of standards available to build these libraries. It is common to have hundreds to thousands of compounds detected in a data set that have no library match because there is no commercial standard for that unknown. Instead, there is just an elemental formula and matches from a structure database. These structures can be compared using in silico fragmentation techniques to determine which isomers plausibly match the data. MSn data can help reduce the list of possible matches, but without guidance, ddMS3 may not consistently collect data on the most relevant MS2 fragments to accomplish this.&nbsp;</p><p>In this work we use Real-Time Library Search (RTLS) in a ddMS3 method to help guide the instrument in real time to collect the most relevant data for confirming structural matches.</p><h4><strong>Materials and methods</strong></h4><h5><strong>Test method(s)&nbsp;</strong></h5><p>1 μL aliquots were analyzed using a <a target="_blank" rel="noopener noreferrer" href="https://labrulez.com/en-us/lcms/products?category=48&amp;manufacturerItems=3&amp;search=gold"><strong>Thermo Scientific Hypersil GOLD column</strong></a> on a <a target="_blank" rel="noopener noreferrer" href="https://labrulez.com/en-us/all/products/744"><strong>Thermo Scientific Vanquish Horizon UHPLC</strong></a><strong> </strong>coupled with a <a target="_blank" rel="noopener noreferrer" href="https://labrulez.com/en-us/all/products/561"><strong>Thermo Scientific Orbitrap IQ-X Tribrid mass spectrometer</strong></a> and <strong>Thermo Scientific Orbitrap Tribrid Apex Small Molecule mass spectrometer</strong>. RTLS was run in similarity mode using the offline version of <a target="_blank" rel="noopener noreferrer" href="https://labrulez.com/en-us/all/products/1764"><strong>Thermo Scientific mzCloud library</strong></a>.&nbsp;</p><h5><strong>Data analysis&nbsp;</strong></h5><p>Data was processed using <strong>Thermo Scientific Freestyle and </strong><a target="_blank" rel="noopener noreferrer" href="https://labrulez.com/en-us/all/products/1759"><strong>Compound Discoverer software</strong></a><strong>.</strong></p><h4><strong>Conclusions&nbsp;</strong></h4><p>Tea extracts were analyzed using RTLS to find the most similar compound in the offline version of the mzCloud library and trigger MS3 on the highest m/z matching and non-matching fragments. This provided additional information to confirm similarity and provide insight on shared sub-structures to the library compound as well as additional information on the portions of the structure that were unique to the experimental compound.</p><h3><strong>4. Waters Corporation: The Quantification of Glucagon-like Peptide Receptor Agonists (GLP-1 RAs) in Plasma Extracts Using Capillary UHPLC-MS/MS</strong></h3><ul><li>Application note</li><li><a target="_blank" rel="noopener noreferrer" href="https://labrulez.com/pdf/720009537_en_0068921516.pdf"><strong>Full PDF for download</strong></a></li></ul><div><div><section><div><div><div><div><div><div><h5><strong>Benefits&nbsp;</strong></h5><ul><li>10-fold improvement in sensitivity&nbsp;</li><li>Robust methodology for &gt;500 injections&nbsp;</li><li>Reduced solvent usage&nbsp;</li><li>No need for complex nanospray MS source</li></ul><p>Obesity represents, perhaps, the largest healthcare challenge, affecting approximately 1.3 billion people globally, contributing to a diverse range of chronic diseases e.g., metabolic, cardiovascular, muscular skeletal, and multiple cancers.1 The rapid growth of obesity and associated global healthcare costs means there is a critical need for safe effective treatments.2 GLP-1 RA initially developed for type 2 diabetes have shown clinical efficacy as weight loss medicines.2 These drugs mimic the action of gut hormones which regulate energy metabolism and appetite by interacting with the hypothalamus, brain stem etc., resulting in weight loss. The success of these GLP-1 RAs is associated with their on-target efficacy and long duration of action,3 e.g., half-life of semaglutide t½ = 160–180 hours3 cf. 1–2 minutes for human GLP-1.4 The long half-life of these GLP-1 RAs results in low, sub ng/mL plasma levels 48–72 hours after dosing, which requires a high sensitivity bioanalytical assay to accurately quantify the plasma concentrations5 and define the PK elimination phase.&nbsp;</p><p>Tandem quadrupole electrospray ionization (ESI) mass spectrometry, operated in multiple reaction monitoring (MRM) mode, coupled with 2.1 mm ID ultra-high performance liquid chromatography (UHPLC) is the dominant technology platform for quantitative bioanalysis. As next generation GIP/GLP-1 RAs promise to be more potent, resulting in lower dosing levels and plasma levels, there is a need for more sensitive analytical methodologies to support drug metabolism and pharmacokinetics (DMPK) studies. Capillary/nano LC-MS/MS have been extensively employed in proteomics to increase analytical sensitivity and enable small volume analysis.5 This sensitivity increase is derived from a combination of the superior ionization efficiency at low flow rates and analyte concentration due to the smaller column geometry.6 This application note illustrates the use of capillary (300 µm) UHPLC-MS/MS (MRM) to affect 10-fold improvement in GLP-1-RAs peak response in human plasma extracts, and detection limits as low as 20 pg/mL for tirzepatide.</p><h4><strong>Experimental</strong></h4><p>Capillary chromatography was performed on an <strong>ACQUITY™ M-class Chromatography System</strong> connected to a <a target="_blank" rel="noopener noreferrer" href="https://labrulez.com/en-us/all/products/195"><strong>Xevo™ TQ-XS Mass Spectrometer</strong></a> (Waters Corporation, Wilmslow, UK) equipped with a microflow probe. Capillary UHPLC separations were performed on an <a target="_blank" rel="noopener noreferrer" href="https://labrulez.com/en-us/all/products/1952"><strong>ACQUITY Premier Peptide CSH C18</strong></a>, 300 Å, 1.7 µm, 300 µm x 50 mm Chromatography Column.</p><p>MS analysis was performed at unit mass resolution using positive ESI at a capillary voltage of 3.0 kV, with a cone voltage of 32 V. The cone gas flow, desolvation gas flow, and desolvation gas temperature were 50 L/h, 300 L/h and 600 °C, respectively. The data were analyzed using <a target="_blank" rel="noopener noreferrer" href="https://labrulez.com/en-us/all/products/1544"><strong>waters_connect™ Software</strong></a><strong>,</strong> and MRM transitions used to monitored for the MS/MS detection of liraglutide, exenatide, semaglutide and tirzepatide were as follows: liraglutide 938.7 → 1128.4, exenatide 838 → 396, semaglutide 1029.2 → 1238.1, and tirzepatide 1204.2 → 396.2. Data analysis was performed using <strong>MS Quan Software.</strong></p><h4><strong>Conclusion</strong></h4><p>Bioanalysis plays a critical role in the drug discovery and development processes providing data to support DMPK, safety assessment, pharmacokinetics/pharmacodynamics (PK/PD), and clinical development studies. The development of new, more potent medicines, innovating delivery platforms, micro sampling, and new approach methodologies (e.g., organ on a chip) all require greater levels of analytical sensitivity. Capillary scale UHPLCMS/MS offers the potential to improve bioanalytical detection limits up to 10-fold, without the need for long analysis times and complex operation associated with nano spray LC-MS/MS. Here, the application of capillary (300 µm ID) scale chromatography for the detection of GLP-1 RAs in human plasma extracts at levels as low as 20 pg/mL with robustness over 500 injections was demonstrated.</p></div></div></div></div></div></div></section></div></div>

News from LabRulezLCMS Library - Week 38, 2026

<p><strong>Our Library never stops expanding. What are the most recent contributions to LabRulezICPMS Library in the week of 14th September 2026? Check out new documents from the field of spectroscopy/spectrometry and related techniques!</strong></p><blockquote><p><span style="font-size:20px;">👉 </span><a target="_blank" rel="noopener noreferrer" href="https://icpms.labrulez.com/library"><span style="font-size:20px;"><strong>SEARCH THE LARGEST REPOSITORY OF DOCUMENTS ABOUT SPECTROSCOPY/SPECTROMETRY RELATED TECHNIQUES</strong></span></a></p></blockquote><blockquote><p><strong>👉 Need info about different analytical techniques?</strong> Peek into <a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/library"><strong>LabRulezLCMS</strong></a> or <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/library"><strong>LabRulezGCMS</strong></a> libraries.</p></blockquote><p>This week we bring you technical note by <strong>Agilent Technologies, </strong>application notes by<strong> Metrohm </strong>and <strong>Thermo Fisher Scientific </strong>and poster by<strong> Shimadzu / AOAC!</strong></p><h3><strong>1. Agilent Technologies: Transitioning from the </strong><a target="_blank" rel="noopener noreferrer" href="https://labrulez.com/en-us/icpms/library?mainauthorItems=10&amp;search=Cary+630"><strong>Agilent Cary 630 FTIR</strong></a><strong> to the </strong><a target="_blank" rel="noopener noreferrer" href="https://labrulez.com/en-us/icpms/library?mainauthorItems=10&amp;search=Cary+635"><strong>Agilent Cary 635 FTIR Spectrometer</strong></a></h3><p><strong>Demonstrating methodology equivalence for pharmaceutical applications</strong></p><ul><li>Technical note</li><li><a target="_blank" rel="noopener noreferrer" href="https://labrulez.com/pdf/te_cary_630_ftir_transition_cary_635_ftir_5994_9408en_agilent_a2ea2ce512.pdf"><strong>Full PDF for download</strong></a><strong>&nbsp;</strong></li></ul><p>Fourier transform infrared (FTIR) spectroscopy is a powerful analytical tool used to analyze a wide variety of materials by interpreting their infrared (IR) wavenumber absorptions. Within pharmaceutical and biopharmaceutical industries, FTIR analysis is integral for material identification and quality assurance of pharmaceutical&nbsp;substances.&nbsp;</p><p>In the pharmaceutical industry, the Agilent Cary 630 FTIR is used for the identification of drug products, incoming goods, and packaging materials, as specified in global pharmacopoeias, and provides quantitative information such as the concentration of components within pharmaceutical formulations.&nbsp;</p><p>Agilent now presents the Cary 635 FTIR spectrometer—an ultracompact, easy-to-use, high-performing, portable FTIR system. With greater IR power, the Cary 635 FTIR features greater detection sensitivity and faster scanning times. With its predecessor's modular design, the Cary 635 FTIR can analyze the same samples with a newly enhanced performance quality and efficiency.&nbsp;</p><p>For users in the pharmaceutical industry who have experience with the Cary 630 FTIR, this technical overview demonstrates the common methodologies and workflows between the Cary 635 FTIR and Cary 630 FTIR spectrometers for pharmaceutical purposes. It will compare the ability of the two instruments to measure and label IR spectra, identify relevant compounds such as active pharmaceutical ingredients (APIs), and quantify substances within commercial&nbsp;formulations.</p><h4><strong>Instrumentation and software&nbsp;</strong></h4><p>For comparison, all three application tests were conducted using the Cary 630 FTIR and Cary 635 FTIR spectrometers with ZnSe optics and equipped with a single-reflection diamond attenuated total reflectance (ATR) accessory. The specific method parameters are outlined within each corresponding application. Both the Cary 635 FTIR and Cary 630 FTIR use Agilent MicroLab software, which provides step-by-step instructions with supporting images to guide users through the entire analytical workflow. Both spectrometers follow the same methods and operational procedures from sample loading to data processing (Figure 1). Results are presented in an easy-to-understand, color-coded format with customizable limits, ensuring a rapid and intuitive data review.</p><h4><strong>Conclusion&nbsp;</strong></h4><p>The comparison presented here of both the Agilent Cary 635 FTIR and Cary 630 FTIR spectrometers demonstrated shared methodologies that produced consistent results across key applications within pharmacopoeia, including spectrum production, compound identification, and substance&nbsp;quantification. Featuring the same modularity, robustness, and ease of use as the Cary 630 FTIR, the Cary 635 FTIR also offers greater sensitivity and signal-to-noise ratio, resulting from an enhanced IR source intensity. Therefore, users operating in regulated environments can confidently upgrade to the Cary 635 FTIR with the understanding that the workflow from the Cary 630 FTIR is directly transferrable, and that their routine analyses will remain consistent and reliable.</p><h3><strong>2. Metrohm: Coconut water analysis by NIRS</strong></h3><p><strong>Determination of Brix, salinity, conductivity, and pH with one instrument</strong></p><ul><li>Application note</li><li><a target="_blank" rel="noopener noreferrer" href="https://labrulez.com/pdf/an_nir_145_download_05589da42d.pdf"><strong>Full PDF for download</strong></a></li></ul><p>Fresh coconut water is the main edible part of the coconut (aside from the coconut meat) and has gained popularity as a health drink in recent years. Multiple factors influence the quality, such as harvesting time, growth location, and storage duration. This poses a challenge for industrial producers to achieve and maintain the desired product quality.&nbsp;</p><p>Testing the properties of coconut water with standard laboratory methods can be challenging, since trained lab personnel are needed. In contrast, near-infrared spectroscopy (NIRS) is fast, chemical-free, and does not require sample preparation. This Application Note explains how NIRS is used for the multiparameter analysis of coconut water. The NIRS solution is easy to use and can be implemented either atline or in a quality control lab.</p><h4><strong>EXPERIMENTAL EQUIPMENT&nbsp;</strong></h4><p>An <a target="_blank" rel="noopener noreferrer" href="https://labrulez.com/en-us/icpms/library?mainauthorItems=220&amp;search=OMNIS+NIR"><strong>OMNIS NIR Analyzer </strong></a>Liquid with a 1 mm flowthrough cell (Figure 1) was used to analyze 206 coconut samples from a commercial supplier. In this configuration, a peristaltic pump injects the sample into the flow-through cell, which is inserted into the cuvette holder. The cell is rinsed with water after each measurement.</p><h4><strong>CONCLUSION</strong></h4><p>This Application Note shows the feasibility of using NIR spectroscopy for the quality control of coconut water. The parameters Brix, conductivity, turbidity, pH value, and salinity can be monitored by NIRS in seconds without any sample preparation. The presented setup with a flow-through cell not only simplifies sample handling but also allows full automation when using an OMNIS Sample Robot. In addition to coconut water, the coconut fruit itself can also be analyzed using near-infrared spectroscopy.</p><h3><strong>3. Shimadzu / AOAC: Analysis of Heavy Metals in Baby Food Using ICP-MS</strong></h3><ul><li>Poster</li><li><a target="_blank" rel="noopener noreferrer" href="https://labrulez.com/pdf/aoac_2026_46_d9c14b32e0.pdf"><strong>Full PDF for download</strong></a></li></ul><p>Babies are more vulnerable to the effects of toxic metals, and baby food therefore requires careful testing. US and EU regulations1)–3) set limits for toxic metals in baby food. This study analyzed five baby foods using the <a target="_blank" rel="noopener noreferrer" href="https://labrulez.com/en-us/icpms/library?mainauthorItems=1&amp;search=ICPMS-2040%2F2050"><strong>ICPMS-2040/2050</strong></a> and evaluated spike recovery and long-term stability.</p><h4><strong>Conclusion&nbsp;</strong></h4><p>Elemental analysis of baby food was conducted using ICP-MS.&nbsp;</p><p>We achieved detection limits that met stringent standards. The spike recovery tests provided good results for all samples with different matrices, confirming the validity of the analysis. Additionally, we analyzed 50 samples of infant formula with a high matrix approximately six hours and confirmed good stability.</p><h3><strong>4. Thermo Fisher Scientific: Process Raman as a comprehensive solution for downstream buffer workflow</strong></h3><ul><li>Application note</li><li><a target="_blank" rel="noopener noreferrer" href="https://labrulez.com/pdf/process_raman_as_comprehensive_solution_an1440_en_c8049b8ede.pdf"><strong>Full PDF for download</strong></a></li></ul><p>Raman technology is rapidly gaining interest as a promising Process Analytical Technology (PAT) solution for real-time, non-invasive monitoring and control of downstream biopharma processes, especially for therapeutics like monoclonal antibodies (mAbs) and nucleic acids. Raman measurement, based on the vibration of molecular bonds, is highly specific for identification and quantification, even in complex or interfering matrices.&nbsp;</p><p>As an in-line PAT tool, Raman spectroscopy offers direct and rapid measurement in aqueous phases without sample preparation. These features make it ideal for monitoring and controlling dynamic processes such as downstream processing.</p><p>This study demonstrates a real-time methodology for accurately quantifying formulation excipients in the dynamic ultrafiltration/diafiltration (UF/DF) process using the <a target="_blank" rel="noopener noreferrer" href="https://labrulez.com/en-us/all/products/2233"><strong>Thermo Scientific™ MarqMetrix™ All-In-One Process Raman Analyzer</strong></a> (Figure 1). In addition, this study also illustrates a case where process Raman was able to provide real-time information on buffer quality.</p><h4><strong>Results&nbsp;</strong></h4><p>The Partial Least Squares (PLS) models for L-histidine, L-arginine, and sucrose were initially tested using seven independent samples collected on three different process Raman analyzers. Data were mathematically processed to standardize spectra across instruments before applying the models. All the spectra were interpolated to have a common x-axis by equally spacing the 2048 pixels across 60 to 3250 cm-1 Raman shift, followed by relative y-axis standardization using the SRM fluorescence data as described in the NIST standardization protocol.² Figure&nbsp;3 shows the correlation plot of predicted versus reference values for L-histidine, L-arginine, and sucrose for the validation samples. A correlation coefficient of over 95% and a root means square error (RMSE) of less than 5% of the reference value for calibration, cross-validation, and prediction across three instruments demonstrate the reliability of process Raman to accurately predict the concentrations of these excipients, as well as easy model transferability.</p><h4><strong>Conclusion</strong></h4><p>This work, combined with our previous demonstrations of accurate in-line protein quantification during UF/DF processes,⁷, ⁸ clearly highlights the value of process Raman for downstream process monitoring. Raman spectroscopy allows for the simultaneous measurement of multiple critical process parameters (CPPs) with a single scan. These findings establish process Raman as a PAT tool with unparalleled benefits compared to other analytical methods.&nbsp;</p><p>Simultaneous measurement of protein and excipient concentrations not only allows tighter process control but also opens opportunities for automating downstream processing.&nbsp;</p><p>The ability of process Raman to provide real-time insights into buffer quality before its use in UF/DF runs offers substantial value by preventing batch failures. This capability enhances quality control, making Raman spectroscopy an essential tool for integration as an in-line sensor to improve downstream process monitoring, control, and automation.</p>

News from LabRulezICPMS Library - Week 38, 2026

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Wiley NIST/EPA/NIH Mass Spectral Library 2023

The 2023 NIST/EPA/NIH Mass Spectral Library is a major update from NIST's expert team, reflecting 40+ years of development. It’s an essential, trusted resource for accurate mass spectral analysis.

<h4><strong>Boost Your MS Workflow with the NIST 2023 Mass Spectral Library</strong></h4><p>The <strong>NIST/EPA/NIH Mass Spectral Library 2023</strong> is a major update to one of the world’s most trusted MS databases. Developed by NIST's expert team over four decades, it remains a vital tool for <strong>GC-MS and MS/MS</strong> analysis.</p><p><strong>What's Included:</strong></p><ul><li><strong>EI Library</strong>: 394,000 spectra, 341,600 unique compounds, now with <strong>AI-RI values</strong></li><li><strong>MS/MS Libraries</strong>: 2.3M+ spectra, 51,500+ compounds, 399,000+ precursor ions</li><li><strong>GC Retention Index Library</strong>: 491,700 RI values, 180,600 unique compounds</li><li><strong>NIST Software</strong>: MS Search, AMDIS, MS Interpreter</li></ul><p><strong>New in 2023:</strong></p><ul><li>40,000+ new EI compounds and 43,000+ spectra added</li><li>MS/MS coverage expanded by 60% over 2020 release</li><li>Enhanced compatibility with <strong>most MS platforms</strong> via Wiley</li></ul><p><strong>Even More with Wiley:</strong></p><ul><li>Combine with the <strong>Wiley Registry 2023</strong> for greater coverage</li><li>Add <strong>KnowItAll Software</strong> for advanced spectral analysis</li></ul><p>Compatible with most MS data systems. Learn more: <a target="_blank" rel="noopener noreferrer" href="https://sciencesolutions.wiley.com/compatibility">sciencesolutions.wiley.com/compatibility</a></p>

Wiley Food, Flavors, Fragrances, and Related Compounds: GC-MS Library

Wiley’s new Food, Flavors, Fragrances, and Related Compounds GC-MS Library speeds up your analytical workflow with a targeted collection designed to deliver the compound coverage essential for food testing and product development.

<p><strong>Accelerate food testing &amp; analyses with focused, high-quality spectral data</strong></p><h4><strong>Quality Data. Results You Can Rely On.</strong></h4><p>Wiley's <i>Food, Flavors, Fragrances, and Related Compounds GC-MS Library</i> helps speed up food testing and product development with over 13,000 carefully curated GC-MS spectra.</p><p>Includes essential oils, lipids, VOCs, terpenes, herbicides, insecticides, and more—ideal for food, flavor, fragrance, and cannabis applications.</p><h5><strong>Key Features</strong></h5><ul><li>Broad compound and application coverage</li><li>Includes databases like Adams’ Essential Oil Components, Mondello Lipids</li><li>Spectra come with structures and physical data when available</li><li>Data reviewed by Wiley experts for quality</li></ul><h4><strong>Applications</strong></h4><p>Perfect for analytical chemists in:</p><ul><li>Detection, identification, QC, QA</li><li>Food/product screening and development</li></ul><h5><strong>Industries Served</strong></h5><p>Agriculture, beverages, cannabis, cosmetics, essential oils, food safety, pet food, pesticides, and more.</p><h4><strong>Trusted Data from Wiley</strong></h4><p>Wiley ensures data quality from acquisition to database integration. All partner data is vetted thoroughly.</p><h5><strong>Databases Included</strong></h5><ul><li>Adams’ Essential Oil Components (GC-MS): 2,205 spectra</li><li>Mass Spectra of Volatiles in Food (CINFR): 1,598 spectra</li><li>Biologically and Environmentally Important Organic Compounds (Isidorov): 1,926 spectra</li><li>Mass Spectra of Pesticides 2009 (Kuhnle): 1,238 spectra</li><li>Lipids Mass Spectral Database (Mondello): 430 spectra</li><li>Mass Spectra of Flavors and Fragrances of Natural and Synthetic Compounds (Mondello): 3,462</li><li>Mass Spectra of Pesticides with Retention Indices (Mondello): 1,300</li><li>Plus 1,500 additional records</li></ul><h5><strong>Additional Information</strong></h5><p>Each record may include: chemical name, structure, exact mass, formula, RI, SMILES, InChI, synonyms, and more.</p><p><strong>Compatibility / Requirements</strong></p><p>Requires <strong>KnowItAll Analytical Edition</strong>.<br>Supported formats: <a target="_blank" rel="noopener noreferrer" href="https://sciencesolutions.wiley.com/compatibility/">Wiley Compatibility Info</a></p>

Wiley Maurer, Meyer, Pfleger, Weber: GC-MS Library of Drugs, Poisons, and Their Metabolites 6th Edition

The updated MMPW spectral database is a key resource for clinical and forensic toxicologists. It provides experimental data and classifies substances by toxicological category to support accurate compound identification.

<h4><strong>The Essential Reference for Clinical and Forensic Toxicologists – Newly Updated!</strong></h4><p>The newly updated 6th edition of the <strong>Maurer Meyer Pfleger Weber (MMPW)</strong> GC-MS library remains a trusted tool for identifying drugs, poisons, and their metabolites. Developed by experts in Saarland, the database includes <strong>10,948 mass spectra</strong> and GC retention indices covering <strong>175 substance categories</strong>, including psychoactive compounds, therapeutic drugs, and over <strong>7,800 metabolites</strong>.</p><p>Each compound is classified by toxicological relevance, and identification methods are now included as a <strong>PDF</strong>. The spectral data support forensic and clinical toxicologists in confident compound identification and data interpretation.</p><p>Available in formats compatible with most mass spectrometry systems, the MMPW library is essential for any lab focused on toxicology. The latest update adds <strong>518 datasets</strong> and nearly <strong>1,900 structures</strong>, including recent designer drugs, cannabinoids, opioids, and stimulants.</p><p>Wiley ensures data quality through strict validation processes, making MMPW a reliable and widely recognized reference in the field.</p>

Wiley Biologically and Environmentally Important Organic Compounds: GC-MS Library (Isidorov)

Wiley’s new database offers mass spectra for over 1,800 key organic compounds as TMS derivatives, including linear temperature-programmed retention indices ranging from 713 to 4700 units.

<h4><strong>Accelerate Your GC-MS Analysis with Wiley’s New TMS Library</strong></h4><p>Wiley’s latest spectral library features <strong>1,926 mass spectra</strong> of biologically and environmentally important organic compounds as <strong>TMS derivatives</strong>, with <strong>retention indices (713–4700)</strong>. It includes <strong>previously uncharacterized high-boiling compounds</strong> like glycosides and lignans, detected in plant tissues.</p><p>Each record contains rich data fields including <strong>CAS number</strong>, structural/molecular formulas, synonyms, and more. This resource supports a wide range of applications—from <strong>natural products and medicinal chemistry</strong> to <strong>food, fragrance, and environmental analysis</strong>.</p><p>Developed by Prof. Valery A. Isidorov (Bialystok University of Technology), the database is compatible with major MS formats and available for compound search at <a target="_blank" rel="noopener noreferrer" href="https://spectrabase.com/"><strong>compoundsearch.com</strong></a>.</p>

Wiley FAMES: Fatty Acid Methyl Ester Mass Spectral Library

The FAMEs Mass Spectral Database includes 240+ spectra and structures of fatty acid methyl esters, with Linear and Kovats Retention Indices recorded on apolar and polar columns using alkane, FAMEs, and FAEEs mixtures.

<h4><strong>Enhance Food Safety Analysis with the FAMEs Mass Spectral Database</strong></h4><p>The <strong>FAMEs Fatty Acid Methyl Esters Database</strong> offers <strong>240+ mass spectra</strong> and structures with <strong>Linear and Kovats Retention Indices</strong> measured on both <strong>apolar and polar columns</strong>. These retention data significantly improve compound identification and reduce the risk of false matches.</p><p>Unlike LC-MS/MS, GC-MS with TIC screening allows broad-spectrum detection without loss of information, making it ideal for <strong>FAMEs profiling</strong>, including <strong>target bacteria like </strong><i><strong>Pseudomonas aeruginosa</strong></i>.</p><p>Each entry includes a <strong>mass spectrum</strong>, <strong>searchable structure</strong>, <strong>chemical details</strong>, and <strong>retention indices</strong>, all measured under strictly controlled conditions using <strong>high-purity samples</strong>.</p><p>Searchable by name, molecular weight, or retention time.</p><p>Explore compound coverage at <a target="_blank" rel="noopener noreferrer" href="https://spectrabase.com/"><strong>compoundsearch.com</strong></a>.</p>

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