<p><strong>Post-translational modifications (PTMs) are where so much of biology’s complexity lives, but they are also some of the hardest molecular features to analyze with confidence. Phosphorylation, asymmetric dimethylarginine (ADMA), and O-GlcNAcylation (O-GlcNAc) often occur at low abundance, can be highly labile, and frequently require precise site localization to understand their biological meaning. This</strong><a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/labrulez-bucket-strapi-h3hsga3/tn_004377_ov_phosphorylation_ptm_etd_excedion_pro_tn004377_na_en_71f681655f.pdf"><strong> technical note </strong></a><strong>shows how the </strong><a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/products/1958"><strong>Thermo Scientific Orbitrap Excedion Pro Hybrid Mass Spectrometer</strong></a><strong> helps address those challenges by combining fast, sensitive performance with complementary </strong><a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/article/7217"><strong>HCD and EThcD fragmentation</strong></a><strong> workflows.</strong></p><p><img src="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/Thermo_Fisher_Scientific_Phosphorylation_ADMA_and_O_Glc_N_Ac_Analysis_on_the_Orbitrap_Excedion_Pro_Mass_Spectrometer_d24a5de98e.jpg" alt="Thermo Fisher Scientific: Phosphorylation, ADMA, and O-GlcNAc Analysis on the Orbitrap Excedion Pro Mass Spectrometer" srcset="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/thumbnail_Thermo_Fisher_Scientific_Phosphorylation_ADMA_and_O_Glc_N_Ac_Analysis_on_the_Orbitrap_Excedion_Pro_Mass_Spectrometer_d24a5de98e.jpg 245w," sizes="100vw" width="1024" height="512"></p><p>Using enriched PTM samples and automated data-dependent acquisition, the study demonstrates that the <strong>Orbitrap Excedion Pro MS</strong> can deliver both depth and confidence across multiple PTM classes. For phosphorylation analysis, the platform identified 5,892 unique phosphosites from IMAC-enriched samples and <strong>2,941 </strong>unique phosphotyrosine sites after phosphotyrosine enrichment, highlighting strong performance for both broad and highly targeted signaling studies. Just as importantly, the data show that HCD and EThcD provide complementary value, with each fragmentation method contributing unique site identifications and helping resolve ambiguous assignments.</p><p>The note also highlights the value of EThcD for more analytically demanding PTMs. In ADMA-enriched samples, EThcD delivered more ADMA peptide-spectrum matches and more unique modified peptides than HCD, supporting improved confidence in site characterization. For O-glycopeptides, the Orbitrap Excedion Pro MS uses an intelligent HCD-product-dependent-EThcD strategy that triggers EThcD only when oxonium ions are detected, improving productivity while preserving the fragmentation detail needed for confident glycosite localization.</p><p>Overall, this technical note shows how <strong>Orbitrap Excedion Pro MS </strong>enables researchers to go deeper into PTM biology with greater sensitivity, better site confidence, and smarter acquisition. For scientists studying signaling, regulation, and disease mechanisms, it presents a powerful approach for expanding PTM coverage without compromising analytical rigor.</p><blockquote><h5><a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/labrulez-bucket-strapi-h3hsga3/tn_004377_ov_phosphorylation_ptm_etd_excedion_pro_tn004377_na_en_71f681655f.pdf"><span><strong>Download the technical note</strong></span> "<strong>Advancing phosphorylation, ADMA, and O-GlcNAc PTM analysis with HCD and EThcD on the Orbitrap Excedion Pro mass spectrometer</strong>"</a></h5></blockquote><p><strong>Visit us on&nbsp;</strong><a target="_blank" rel="noopener noreferrer" href="https://www.linkedin.com/showcase/72003132/admin/dashboard/"><strong><u>LinkedIn:</u></strong></a>&nbsp;#PTM #OrbitrapExcedionPro #glycosylation #phosphorylation</p>

Phosphorylation, ADMA, and O-GlcNAc Analysis on the Orbitrap Excedion Pro Mass Spectrometer

News from LabRulezLCMS Library - Week 35, 2026

News from LabRulezLCMS Library - Week 36, 2026

News from LabRulezLCMS Library - Week 37, 2026

<h3><strong>What Gives Ginger Its Characteristic Kick?</strong></h3><p><strong>Fresh ginger is bright, aromatic, and sharply spicy, while dried or heated ginger develops a warmer and more intense character. Behind these sensory differences lies a group of bioactive compounds known as gingerols and shogaols. In this study, HPLC was used to compare their presence in fresh ginger, ginger tea, and several commercially available ginger shots.</strong></p><h4><strong>Gingerols and Shogaols: The Chemistry Behind Ginger</strong></h4><p>Ginger (<i>Zingiber officinale</i>) is widely valued both as a food ingredient and for its bioactive constituents. Among these, <strong>[6]-gingerol</strong> is the predominant and most extensively studied pungent compound in fresh ginger. Smaller amounts of <strong>[8]-gingerol</strong> and <strong>[10]-gingerol</strong> are also naturally present.</p><p>Processing changes this chemical profile. When ginger is heated or dried, gingerols can undergo dehydration and form a related group of compounds known as <strong>shogaols</strong>. One of these, <strong>[6]-shogaol</strong>, is associated with strong antioxidant activity and has also been investigated for its anti-inflammatory properties.</p><p><img src="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/KNAUER_Figure_1_Structure_of_6_gingerol_a737949416.png" alt="KNAUER: Figure 1: Structure of [6]-gingerol (drawn with MarvinSketch 6.0.1)" srcset="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/thumbnail_KNAUER_Figure_1_Structure_of_6_gingerol_a737949416.png 245w," sizes="100vw" width="525" height="170"></p><h4><strong>Why Is Ginger So Popular?</strong></h4><p>Ginger is commonly associated with digestive support and is frequently used to help alleviate nausea, including motion sickness and mild gastrointestinal discomfort. Its constituents have also been studied in connection with inflammatory processes, muscle and joint discomfort, and broader physiological effects.</p><p>The chemical composition of ginger products, however, can vary considerably depending on the raw material, formulation, processing conditions, and extraction method. This makes instrumental analysis useful for examining what different ginger products actually contain.</p><p><img src="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/KNAUER_Figure_2_Ginger_picture_generated_by_Open_AI_50c689581b.png" alt="KNAUER: Figure 2: Ginger picture generated with DALL-E (OpenAI; GPT-4o)" srcset="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/thumbnail_KNAUER_Figure_2_Ginger_picture_generated_by_Open_AI_50c689581b.png 156w," sizes="100vw" width="454" height="454"></p><blockquote><p><i><strong>“And I had but one penny in the world, thou shouldst have it to buy gingerbread.”</strong></i><br><i>– William Shakespeare, Love’s Labour’s Lost</i></p></blockquote><h4><strong>Taking a Closer Look at I.N.G.W.E.R.</strong></h4><p>The study compared several commercial ginger shots with <strong>fresh ginger root and ginger tea</strong>.</p><p>The liquid ginger products were first centrifuged and the supernatant removed. The remaining solid material was extracted with <strong>methanol/water 50:50 (v/v)</strong> and centrifuged again. The resulting extract was passed through a <a target="_blank" rel="noopener noreferrer" href="https://labrulez.com/en-us/all/products/2380"><strong>0.22 µm nylon syringe filter</strong></a> before injection into the <a target="_blank" rel="noopener noreferrer" href="https://labrulez.com/en-us/lcms/products?category=39&amp;manufacturerItems=503"><strong>HPLC system</strong></a>.</p><p>Chromatographic separation was performed under reversed-phase conditions using a <a target="_blank" rel="noopener noreferrer" href="https://labrulez.com/en-us/all/products/1635"><strong>KNAUER Eurospher II C18H column</strong></a>:</p><ul><li>Column dimensions: <strong>150 × 3 mm</strong></li><li>Particle size: <strong>3 µm</strong></li><li>Order number: <strong>15CE185E2G</strong></li><li>Flow rate: <strong>0.8 mL/min</strong></li></ul><p>The gingerol concentration was <strong>not determined quantitatively</strong>. Instead, chromatographic signal heights were compared with those obtained from freshly extracted ginger root. Direct comparison between commercial products also needs to take into account that the individual shots contained different proportions of ginger.</p><p><img src="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/KNAUER_Table_1_Percentage_of_ginger_in_shot_samples_according_to_their_list_of_ingredients_1a064c0399.jpg" alt="KNAUER: Table 1 Percentage of ginger in shot samples according to their list of ingredients" srcset="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/thumbnail_KNAUER_Table_1_Percentage_of_ginger_in_shot_samples_according_to_their_list_of_ingredients_1a064c0399.jpg 210w," sizes="100vw" width="1107" height="820"></p><h4><strong>Ginger Content of the Tested Shots</strong></h4><h5><strong>Fresh Ginger and Ginger Tea</strong></h5><p><img src="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/KNAUER_Left_Chromatogram_of_fresh_ginger_root_4d6339e54d.jpg" alt="KNAUER: Left: Chromatogram of fresh ginger root, 5 g sample was extracted with MeOH:H₂O; 1 – [6]-gingerol,  2 – [8]-gingerol, 3 – [10]-gingerol. Right: Chromatogram of YogiTea ginger lemon, tea bag (1.8 g) was extracted with 200 ml hot water;  1 – [6]-gingerol" srcset="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/thumbnail_KNAUER_Left_Chromatogram_of_fresh_ginger_root_4d6339e54d.jpg 245w," sizes="100vw" width="1537" height="485"></p><p>Fresh ginger provided the clearest representation of the characteristic gingerols. In contrast, only a small [6]-gingerol signal was observed in the tea extract. One important difference is that the tea was prepared using hot water rather than the methanol/water extraction applied to the other samples.</p><h5><strong>Classic and Pomegranate Ginger Shots</strong></h5><p><img src="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/KNAUER_Left_Chromatogram_of_classic_ginger_shot_b9de81bb02.jpg" alt="KNAUER: Left: Chromatogram of classic ginger shot, 1 -  [6]-gingerol, 2 - [8]-gingerol, 3 - [6]-shogaol,  4 - [10]-gingerol. Right: Chromatogram of  pomegranate ginger shot, 1 -  [6]-gingerol, 2 - [8]-gingerol, 3 - [6]-shogaol,  4 - [10]-gingerol" srcset="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/thumbnail_KNAUER_Left_Chromatogram_of_classic_ginger_shot_b9de81bb02.jpg 245w," sizes="100vw" width="1522" height="475"></p><p>Both products showed a comparatively rich ginger-derived profile. In addition to <strong>[6]-gingerol</strong>, the chromatograms contained <strong>[8]-gingerol, [10]-gingerol, and [6]-shogaol</strong>.</p><p>Among the commercial products examined, the <strong>classic and pomegranate shots showed the strongest [6]-gingerol signals</strong>.</p><h5><strong>Turmeric and Fruit Shots</strong></h5><p><img src="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/KNAUER_Left_Chromatogram_of_Kurkuma_ginger_shot_b8887746f8.jpg" alt="KNAUER: Left: Chromatogram of Kurkuma ginger shot, 1 -  [6]-gingerol. Right: Chromatogram of  fruit shot, 1 -  [6]-gingerol" srcset="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/thumbnail_KNAUER_Left_Chromatogram_of_Kurkuma_ginger_shot_b8887746f8.jpg 245w," sizes="100vw" width="1527" height="477"></p><p>In these two samples, <strong>[6]-gingerol</strong> was the principal ginger-related compound identified. The fruit shot produced the lowest [6]-gingerol signal of all the tested ginger shots, which is consistent with its comparatively low declared ginger content of <strong>2%</strong>.</p><h5><strong>Vitamin Acai and Pineapple Ginger Shots</strong></h5><p><img src="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/KNAUER_Left_Chromatogram_of_Vitamin_Acai_shot_459cc69719.jpg" alt="KNAUER: Left: Chromatogram of Vitamin Acai shot, 1 -  [6]-gingerol,  2 - [8]-gingerol, 3 - [6]-shogaol,  4 - [10]-gingerol. Right: Chromatogram of  pineapple ginger shot, 1 -  [6]-gingerol, 2 - [8]-gingerol, 3 - [6]-shogaol,  4 - [10]-gingerol" srcset="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/thumbnail_KNAUER_Left_Chromatogram_of_Vitamin_Acai_shot_459cc69719.jpg 245w," sizes="100vw" width="1510" height="465"></p><p>The Vitamin Acai and pineapple products showed a broader profile similar to the classic and pomegranate shots. <strong>[6]-gingerol, [8]-gingerol, [10]-gingerol, and [6]-shogaol</strong> were detected in both samples.</p><h4><strong>What Did the HPLC Analysis Reveal?</strong></h4><p><strong>[6]-Gingerol was detected in every sample analyzed.</strong> The freshly extracted ginger root gave the strongest reference response, while among the commercial ginger shots, the classic and pomegranate variants showed the highest [6]-gingerol signals.</p><p>The <strong>fruit shot contained the lowest amount based on relative signal height</strong>, while the hot-water ginger tea extract produced only a small gingerol response.</p><p>A broader range of ginger-derived compounds was observed in the <strong>classic, pomegranate, pineapple, and Vitamin Acai shots</strong>, where [8]-gingerol, [10]-gingerol, and [6]-shogaol were detected alongside [6]-gingerol.</p><p>Because the experiment was designed as a comparative rather than quantitative analysis, the results should be interpreted as differences in chromatographic response rather than absolute gingerol concentrations. Nevertheless, the experiment demonstrates how straightforward reversed-phase HPLC can be used to compare the characteristic bioactive compounds present in fresh ginger and processed ginger products.</p><p>Whether fresh, brewed, or packed into a concentrated shot, ginger clearly offers more analytical complexity than its distinctive spicy taste might suggest.</p><blockquote><p><a target="_blank" rel="noopener noreferrer" href="https://labrulez.com/pdf/I_N_G_W_E_R_Analytica_254b7c26e3.pdf"><strong>Download application note I.N.G.W.E.R. – Instrumental Analysis of Nutritional Ginger Wellness Extracts here</strong></a></p></blockquote>

I.N.G.W.E.R. – Instrumental Analysis of Nutritional Ginger Wellness Extracts & Residues

<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 LabRulezLCMS Library in the week of 21st 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>KNAUER </strong>and<strong> Shimadzu, </strong>technical note by <strong>Thermo Fisher Scientific </strong>and poster by <strong>Waters Corporation / SOFT!</strong></p><h3><strong>1. KNAUER: Precise Catechin Profiling in Various Types of Tea</strong></h3><ul><li>Application note</li><li><a target="_blank" rel="noopener noreferrer" href="https://labrulez.com/pdf/VFD_0198_knauer_precise_catechin_profiling_in_various_types_of_tea_d607cde5ba.pdf"><strong>Full PDF for download</strong></a></li></ul><p>Fresh tea leaves contain high concentrations of catechins, which have many beneficial properties. These include antioxidant, anti-inflammatory as well as antimicrobial effects, and it is even claimed that they have the potential to prevent cancer [1]. In addition, the taste and mouthfeel of a tea strongly depend on its catechin profile. The catechin content of tea leaves varies based on cultivation area, age and variety, as well as on how they are fermented, processed and packed. Therefore, the catechin content is an important marker for the quality of tea.&nbsp;</p><p>The analysis of catechins can be challenging. The structural similarity of the catechin isomers and other closely related compounds result in similar behavior and a difficult separation (Fig. 1). Catechins possess many phenolic hydroxyl groups, which are prone to secondary interactions, like hydrogen bonding. Classical as well as highly endcapped C18 columns offer only limited retention and selectivity for catechins. Therefore, the KNAUER column portfolio has been expanded to include a pentafluorophenyl (PFP)-modified stationary phase (<strong>Eurospher II 100-3 PFP column </strong>50 x 2 mm). It offers optimal separation of the catechins based on hydrophilic, hydrophobic and π-π-interactions. The column withstands acidic eluents (pH 1.5–10) as well as 100 % aqueous conditions, which are beneficial for the retention of hydrophilic compounds. The KNAUER Gradient Prediction Tool assisted with the challenging method development which is described in detail in the TechNote “The Gradient Prediction Tool: Method Development for the Separation of Catechins from Tea”. Here, the application of the optimized method for the identification and quantification of catechins in tea extracts is shown. The seven compounds specified in ISO-14502-2 (2005), as well as two additional catechins known as (+)-gallocatechin and (–)-gallocatechin gallate, were quantified.</p><h4><strong>MATERIAL AND METHODS</strong></h4><ul><li><strong>Pump: </strong><a target="_blank" rel="noopener noreferrer" href="https://labrulez.com/en-us/all/products/2374"><strong>P8.1L</strong></a>; high pressure gradient&nbsp;</li><li><strong>Liquid Handler:</strong> <a target="_blank" rel="noopener noreferrer" href="https://labrulez.com/en-us/all/products/1454"><strong>LH 8.1L </strong></a>With FastWash station, and Robotic cooler. Loop: 20 µl.</li><li><strong>Thermostat: </strong><a target="_blank" rel="noopener noreferrer" href="https://labrulez.com/en-us/all/products/2376"><strong>CT 2.1L&nbsp;</strong></a></li><li><strong>Detector:</strong> <a target="_blank" rel="noopener noreferrer" href="https://labrulez.com/en-us/all/products/2424"><strong>DAD 6.1L&nbsp;</strong></a></li><li><strong>Flow cell: </strong>Analytical LightGuide flow cell (50 mm, 6 µl)&nbsp;</li><li><strong>Software:</strong> ClarityChrom 10.1</li></ul><h4><strong>CONCLUSION&nbsp;</strong></h4><p>The application note demonstrates the reliable separation and quantification of catechins and caffeine in tea extracts using the new KNAUER PFP column. Using an optimised gradient predicted with the KNAUER Gradient Prediction Tool, nine tea-related compounds were separated in under 23 minutes. The tested tea samples showed different catechin content highlighting how strongly tea composition depends on the product type and processing.</p><h3><strong>2. Shimadzu: New Derivatization Method for Quantitative Analysis of Δ⁹-THC-COOH in Urine</strong></h3><ul><li>Application note</li><li><a target="_blank" rel="noopener noreferrer" href="https://labrulez.com/pdf/an_01_01215_en_c98174629b.pdf"><strong>Full PDF for download</strong></a></li></ul><h5><strong>User Benefits</strong></h5><ul><li>The risk of limited availability of stable isotope-labeled standards can be avoided by synthesizing internal standards through derivatization.&nbsp;</li><li>The derivatizing agent IPPAH and its corresponding stable isotope IPPAH-d6 can be synthesized easily and inexpensively from acetone (or acetone-d6).&nbsp;</li><li>This approach achieves sufficient sensitivity and quantitative accuracy for the determination of Δ⁹-THC-COOH in urine.</li></ul><p>In Japan, the Cannabis Control Act and the Narcotics and Psychotropics Control Act were amended in December 2024. While cannabis was legalized for industrial and medical uses, stricter cannabis regulations have been enacted to prevent harm from its abuse. The primary psychoactive cannabinoid, delta-9-tetrahydrocannabinol (Δ⁹-THC), is extensively metabolized in the body and is excreted mainly in urine and feces as 11-nor-9-carboxy-THC (Δ⁹-THC-COOH) and its glucuronide conjugates. Consequently, Δ⁹-THC-COOH must be analyzed to confirm cannabis use. For LC-MS/MS quantitation, the stable isotope-labeled internal standard Δ⁹-THC-COOH-d3 is commonly used to correct for matrix effects. However, most suppliers of stable isotope standards are located in the U.S., making these standards difficult to obtain due to import procedures. Furthermore, there may be additional importrelated supply risks for stable isotope standards in the future.&nbsp;</p><p>This Application News describes a technique for quantitating Δ⁹-THC-COOH using an internal standard that is synthesized easily and inexpensively by derivatization with IPPAH (1- isopropylpiperidine carboxylic acid hydrazide), which characteristically reacts with carboxyl groups, and its corresponding stable isotope IPPAH-d6.</p><h4><strong>Analysis Conditions&nbsp;</strong></h4><p>LC-MS/MS analysis conditions are shown in Table 1. The <a target="_blank" rel="noopener noreferrer" href="https://labrulez.com/en-us/lcms/library?mainauthorItems=1&amp;search=Nexera+XR"><strong>Nexera XR</strong></a> and <a target="_blank" rel="noopener noreferrer" href="https://labrulez.com/en-us/lcms/library?mainauthorItems=1&amp;search=LCMS-8050"><strong>LCMS-8050 systems</strong></a> were used.</p><h4><strong>Conclusion&nbsp;</strong></h4><p>Derivatization with IPPAH and its stable isotope analog, IPPAHd6, enabled the simple and inexpensive preparation of an internal standard. This approach provides sufficient sensitivity and accuracy for the determination of Δ⁹-THC-COOH in urine. Most stable isotope-labeled standards are supplied by foreign manufacturers, creating a risk of delays or difficulties in procurement due to import/export regulations. By synthesizing the internal standard through derivatization, this risk can be minimized.</p><h3><strong>3. Thermo Fisher Scientific: High-throughput quantitative proteomics with Evosep Eno and the Orbitrap Astral Zoom Mass Spectrometer</strong></h3><ul><li>Technical note</li><li><a target="_blank" rel="noopener noreferrer" href="https://labrulez.com/pdf/tn_004544_ov_astralzoom_evosepeno_htp_proteomics_tn004544_na_en_f31db9084e.pdf"><strong>Full PDF for download</strong></a></li></ul><p>High-throughput proteomics is a critical enabling technology for large clinical studies, high-content drug screening, and systems biology research, allowing for comprehensive and quantitative analysis of complex proteomes across large sample cohorts within practical timeframes. As biological and translational studies expand in scale and complexity, the ability to generate deep and reproducible proteome measurements across thousands of samples has become increasingly essential for robust biomarker discovery, network-level systems modeling, and downstream analyses. In these contexts, accurate and precise protein quantitation must be maintained without sacrificing throughput, placing stringent demands on the performance and robustness of both LC instruments and mass spectrometers.&nbsp;</p><p>To meet these increasing analytical demands, the Evosep Eno was developed as a high‑throughput LC system that combines robustness, ease of use, and highly reproducible chromatography. It offers six standardized methods: 30, 60, 100, 200, 300, and 500 samples per day (SPD), allowing users to select the throughput that aligns best with their study goals.1 These predefined methods ensure consistent gradient delivery, highly stable retention times, and reproducible system performance across instruments and laboratories.2 By reducing LC‑related variability and simplifying everyday operation, the Evosep Eno offers a strong and consistent foundation for large‑scale proteomics workflows, particularly those relying on short gradients and high reproducibility required for downstream quantitative analysis.</p><h4><strong>Experiment</strong></h4><h5><strong>Instrumentation&nbsp;</strong></h5><ul><li><a target="_blank" rel="noopener noreferrer" href="https://labrulez.com/en-us/lcms/library?mainauthorItems=291&amp;search=evosep+eno"><strong>Evosep Eno&nbsp;</strong></a></li><li><a target="_blank" rel="noopener noreferrer" href="https://labrulez.com/en-us/all/products/1959"><strong>Orbitrap Astral Zoom Mass Spectrometer&nbsp;</strong></a></li><li><a target="_blank" rel="noopener noreferrer" href="https://labrulez.com/en-us/all/products/2464"><strong>Thermo Scientific™ EASY-Spray™ Ion Source&nbsp;</strong></a></li><li>Evosep™ Pod for EASY-Spray Ion Source</li></ul><h5><strong>Software&nbsp;</strong></h5><ul><li>Biognosys Spectronaut® 19.7 software&nbsp;</li><li>MacCoss Lab Software Skyline-Daily V25.1</li></ul><h4><strong>Summary&nbsp;</strong></h4><h5><strong>Seamless and easy integration for high-throughput proteomics&nbsp;</strong></h5><p>Evosep Eno integrates seamlessly with the Orbitrap Astral Zoom Mass Spectrometer, supported by EASY-Spray source-compatible columns, emitters, and the Evosep Pod column oven for a simple, streamlined, high-throughput workflow.&nbsp;</p><h5><strong>Deep proteome coverage at 500 SPD&nbsp;</strong></h5><p>Optimized MS parameters for the standard 500 SPD Evosep Eno gradient enabled identification of more than 6,500 protein groups and 71,000 modified peptides from three replicates of 200 ng Pierce HeLa Digest/PRTC Standard.</p><h5><strong>Reproducible quantitation across standard gradients&nbsp;</strong></h5><p>Across all standard Evosep Eno gradients, the workflow delivered highly reproducible label-free quantification, with median protein group %CVs at or below 5.2%, while identifying more than 10,500 protein groups and 190,000 modified peptides from five replicates of 200 ng Pierce HeLa Digest/PRTC Standard at 30 SPD.&nbsp;</p><h5><strong>Robust chromatography at ultra-high throughput&nbsp;</strong></h5><p>Chromatographic performance remained stable and robust at 500 SPD, with nearly 100 consecutive runs showing PRTC retention time standard deviations below 0.4 seconds and a median of 6 DPPP.&nbsp;</p><h5><strong>Strong linearity for confident quantitation&nbsp;</strong></h5><p>Quantitative performance remained strong at 500 SPD, with PRTC peptides showing excellent linearity across the active gradient (R² &gt;0.98) when spiked from attomolar to femtomolar concentrations.</p><h3><strong>4. Waters Corporation / SOFT: COMPARATIVE EVALUATION OF HIGH RESOLUTION MASS SPECTROMETRY ACQUISITION STRATEGIES FOR THE DETECTION AND ANALYSIS OF ILLICIT DRUG SUBSTANCES</strong></h3><ul><li>Poster</li><li><a target="_blank" rel="noopener noreferrer" href="https://labrulez.com/pdf/720009592_0bd2b5ee6a.pdf"><strong>Full PDF for download</strong></a></li></ul><div><div><section><div><div><div><div><div><div><p>The poster compares two high-resolution time-of-flight mass spectrometry acquisition strategies for toxicology screening: targeted <strong>Tof-MRM</strong> and data-independent <strong>Tof-MSE</strong>, both implemented on a Waters <a target="_blank" rel="noopener noreferrer" href="https://labrulez.com/en-us/all/products/1148"><strong>Xevo MRT MS</strong></a> coupled to an <a target="_blank" rel="noopener noreferrer" href="https://labrulez.com/en-us/all/products/199"><strong>ACQUITY UPLC I-Class FTN PLUS System</strong></a>. The aim was to determine whether these approaches could meet routine service requirements for drug testing while also broadening the number of substances that can be detected beyond conventional targeted panels. Urine samples were prepared across a wide concentration range for 20 target analytes, and the methods were also applied to 20 anonymized authentic urine samples.</p><p>Both workflows used a 15-minute LC separation on an <a target="_blank" rel="noopener noreferrer" href="https://labrulez.com/en-us/all/products/1952"><strong>ACQUITY HSS C18 column</strong></a> under positive electrospray ionization. In the targeted Tof-MRM mode, selected precursor ions were isolated and fragmented, with quantifier and qualifier ions monitored for sensitive quantitative analysis. In contrast, Tof-MSE operated in a data-independent mode, alternating between low and elevated collision energies to collect accurate-mass precursor and fragment-ion information for a broad range of compounds. Data were processed in the waters_connect platform using MS Quan for Tof-MRM and UNIFI with the Waters Toxicology Library, containing more than 2,100 drugs and metabolites, for Tof-MSE.</p><p>The targeted Tof-MRM method provided the highest sensitivity, with limits of detection ranging from <strong>0.05 to 0.5 ng/mL</strong> in fortified urine. The broader Tof-MSE workflow achieved LODs of approximately <strong>0.5 to 5 ng/mL</strong>. When both strategies were applied to authentic urine samples, they showed excellent qualitative agreement. Importantly, Tof-MSE detected additional compounds outside the predefined target panel, including commonly encountered medications, benzodiazepines, antidepressants, and illicit drug substances that would not have been captured by the targeted method alone.</p><p>Overall, the study shows that Tof-MRM can deliver sensitivity comparable to conventional tandem-quadrupole LC-MS/MS for targeted urinary drug analysis, while Tof-MSE adds broader sample characterization and retrospective screening capability. Used together, the two acquisition strategies provide a flexible approach that combines sensitive quantification of predefined analytes with expanded screening for unexpected or previously untargeted drug substances in complex biological samples.</p></div></div></div></div></div></div></section></div></div>

News from LabRulezLCMS Library - Week 39, 2026

<p><strong>Our Library never stops expanding. What are the most recent contributions to LabRulezLCMS Library in the week of 29th 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 technical note by <strong>KNAUER,</strong> application note by <strong>Shimadzu </strong>and posters by<strong> Thermo Fisher Scientific / HPLC Symposium </strong>and <strong>Waters Corporation / AOAC!</strong></p><h3><strong>1. KNAUER: Efficient separation of di(2-ethylhexyl) phthalate (DEHP) from oil matrices using GPC</strong></h3><ul><li>Technical note</li><li><a target="_blank" rel="noopener noreferrer" href="https://labrulez.com/pdf/VTN_00_XX_knauer_applichrom_gpc_f1d7f1a236.pdf"><strong>Full PDF for download</strong></a></li></ul><p>Phthalates are chemical compounds primarily used as plasticizers in polymers to enhance the flexibility and elasticity of materials such as polyvinyl chloride (PVC) [1]. Since plasticizers are not covalently bound to the polymer chains, they have the potential to leach into the contacting media and contribute to contamination [2]. With the widespread and increasing use of plastic materials, the risk of phthalate release and human exposure continues to rise. As a result, and due to their potentially harmful effects on human health, phthalates have attracted growing scientific and regulatory attention in recent years [1]. Oil-rich food products can leach lipophilic phthalates from their packaging [3]. Throughout the production and packaging process, polymeric components such as tubing, containers, and caps may serve as potential sources of contamination. For the analysis of phthalates in such oil matrices, sample cleanup is an essential step. Gel permeation chromatography (GPC), based on sizeexclusion principles, is widely applied as an effective cleanup technique prior to subsequent analytical determination.</p><h4><strong>MATERIALS &amp; METHODS</strong></h4><p>The samples were dissolved in the eluent mixture and filtered through a 0.45 µm PTFE filter prior to analysis. For both olive oil and canola oil, an additional sample spiked with DEHP was prepared and likewise filtered before analysis. Chromatographic analysis was performed using an isocratic method with an eluent composition of ethyl acetate/heptane (50:50 v/v) at a flow rate of 1.0 mL/min. Detection was carried out by UV absorbance at 254 nm. The injection volume was 8 µL using a full-loop injection mode. The column temperature was maintained at 25°C. Separation was achieved on an <strong>AppliChrom® OleoSep column </strong>(10 µm, 300 × 8 mm). The <a target="_blank" rel="noopener noreferrer" href="https://labrulez.com/en-us/all/products/1630"><strong>AZURA® Semi Preparative GPC System</strong></a> was used.</p><h4><strong>CONCLUSION</strong></h4><p>GPC sample preparation is an effective approach for separating phthalates from high-molecular-weight matrices such as edible oils. In this study, the successful separation of di(2-ethylhexyl) phthalate (DEHP) from three different oil samples was demonstrated. Based on these results, it can be assumed that other phthalates with lower molecular weights (&lt; 390 Da) can also be effectively separated under same conditions. The KNAUER AZURA® GPC semi preparative system (Fig. 4) in combination with the AppliChrom® OleoSep GPC column provides a robust and efficient setup for sample preparation in phthalate analysis, offering rapid separation, high resolution, and minimal solvent consumption due to the short analysis time.</p><h3><strong>2. Shimadzu: Analysis of Chloride and Sulfate Ions in Bioethanol Using the </strong><a target="_blank" rel="noopener noreferrer" href="https://labrulez.com/en-us/lcms/library?mainauthorItems=1&amp;search=Nexera+IC"><strong>Nexera IC Ion Chromatograph</strong></a></h3><ul><li>Application note</li><li><a target="_blank" rel="noopener noreferrer" href="https://labrulez.com/pdf/an_01_01211_en_55cbf3e64f.pdf"><strong>Full PDF for download</strong></a></li></ul><h5><strong>User Benefits</strong></h5><ul><li>Analysis of chloride and sulfate ions in fuel ethanol can be conducted in accordance with ASTM D7319-221) .</li><li>Accurate quantitative determination, exhibiting excellent linearity and repeatability, can be achieved at concentration levels significantly below the limits specified by the ASTM criteria.</li></ul><p>First-generation bioethanol produced from raw materials such as corn and sugarcane has been utilized to achieve carbon neutrality. However, research and development for second-generation bioethanol produced from non-food, cellulose-based raw materials is also underway to avoid competition with food crops. In Japan, eight companies, including Toyota Motor Corporation, have formed the “Research Association of Biomass Innovation for Next Generation Automobile Fuels” (raBit) to advance research on next-generation bioethanol technologies. Shimadzu participates as a supporting member and promotes research and development through analytical technology cooperation.</p><p>&nbsp;It is known that the presence of chloride and sulfate ions in fuel ethanol can form engine residue, leading to reduced engine performance. ASTM D4806-252) specifies fuel ethanol quality as criterion of chloride ion must not exceed 6.7 mg/kg and that of sulfate ion must not exceed 4 mg/kg. ASTM D7319-22 includes test methods for chloride and sulfate ions in fuel ethanol using ion chromatography.&nbsp;</p><p>In this application, we present an example of the analysis of chloride and sulfate ions in bioethanol using the <a target="_blank" rel="noopener noreferrer" href="https://labrulez.com/en-us/lcms/library?mainauthorItems=1&amp;search=Nexera+IC"><strong>Nexera IC</strong></a> in accordance with ASTM D7319-22.</p><h4><strong>Conclusion</strong></h4><p>Chloride and sulfate ions in bioethanol were determined using a Nexera IC system in accordance with ASTM D7319-22. The method offers high sensitivity, linearity, and repeatability, enabling reliable quantification at concentrations well below ASTM-specified limits, thus supporting effective quality control and regulatory compliance of fuel ethanol.</p><h3><strong>3. Thermo Fisher Scientific / HPLC Symposium: LC-MS analysis of intact and subunit-level mAb enabled by a novel monodisperse supermacroporous reversed-phase platform</strong></h3><ul><li>Poster</li><li><a target="_blank" rel="noopener noreferrer" href="https://labrulez.com/pdf/po_004763_ccs_surepac_protein_reverse_phase_mabs_separation_po004763_na_en_56199ec50d.pdf"><strong>Full PDF for download</strong></a></li></ul><p>Monoclonal antibodies (mAbs) are structurally complex biotherapeutics that require multi-level analytical characterization to ensure product quality, safety, and efficacy. LC-MS analysis is routinely applied at the intact protein and subunit levels to assess molecular mass, heterogeneity, and structural integrity. Enzymatic subunit generation, such as IdeS digestion, enables targeted domain-level characterization while reducing analytical complexity compared to full peptide mapping. Achieving high-performance reversed-phase separations across intact and subunit-level workflows remains challenging, as chromatographic columns optimized for intact proteins often compromise performance of smaller subunits. Consequently, multiple columns are required to support comprehensive mAb characterization.&nbsp;</p><p>In this study, we evaluate a reversed-phase separation column based on a novel 2.5 μm monodisperse supermacroporous (SMP) polymeric stationary phase for unified LC-MS analysis of monoclonal antibodies under intact, reduced, and IdeSdigested conditions. The SMP resin’s uniform particle size and highly accessible pore structure enable efficient separation of both small and large analytes, including intact mAbs, reduced subunits (LC and HC), and IdeS-generated fragments such as scFc and F(ab′)₂. Using the SurePac Protein RP MDi column, baseline separation of these species was achieved within a 10- minute gradient, providing a fast, all-in-one LC-MS approach for mAb variant characterization.</p><h4><strong>Materials and methods</strong></h4><h5><strong>Instruments&nbsp;</strong></h5><p><a target="_blank" rel="noopener noreferrer" href="https://labrulez.com/en-us/all/products/744"><strong>Thermo Scientific Vanquish Horizon UHPLC system</strong></a>; <a target="_blank" rel="noopener noreferrer" href="https://labrulez.com/en-us/all/products/401"><strong>Thermo Scientific Orbitrap Exploris 480 mass spectrometer</strong></a> with <strong>Thermo Scientific OptaMax NG ion source</strong>.&nbsp;</p><h5><strong>Data analysis&nbsp;</strong></h5><p>The UHPLC system with mass spectrometer were operated with <a target="_blank" rel="noopener noreferrer" href="https://labrulez.com/en-us/all/products/1758"><strong>Thermo Scientific Xcalibur 4.7 software</strong></a>. Full MS spectra of intact mAbs and mAb fragments were analyzed using Thermo Scientific Freestyle 1.8 and BioPharma Finder 5.4 software that utilizes the ReSpect and Xtract algorithms for molecular mass determination.</p><h4><strong>Conclusions&nbsp;</strong></h4><ul><li>A SurePac Protein RP column enabled a rapid (10 min) separation of mAb LC, HC, scFc, and F(ab′)₂ fragments, with major proteoforms identified by mass agreement.&nbsp;</li><li>The SurePac Protein RP column supports comprehensive intact and subunit-level mAb characterization in a single workflow, with strong separation performance across mAb fragments.</li></ul><h3><strong>4. Waters Corporation / AOAC: IMPROVED PURIFICATION OUTCOMES FOR PROBLEMATIC COMPOUNDS USING AN INERT COLUMN WITH POLAR SORBENT</strong></h3><ul><li>Poster</li><li><a target="_blank" rel="noopener noreferrer" href="https://labrulez.com/pdf/720009616_AOAC_f65ea1b771.pdf"><strong>Full PDF for download</strong></a></li></ul><div><div><section><div><div><div><div><div><div><p>Whether the goal is to obtain enough intermediate for the next step in a synthetic scheme, to polish a final product, or to create a suitable standard for compound identification, preparative liquid chromatography remains a primary technique for isolating compounds from complex mixtures. Recovering the target compound at the desired purity and yield in the least amount of time is of utmost importance.&nbsp;</p><p>Polar targets that do not retain, or “sticky” compounds that seemingly disappear on the column are two groups that many consider to be ’problematic’ in purification. “Sticky” compounds, also known as non-specific adsorbers (NSAs), are metal-sensitive targets what can adsorb to positively charged metal surfaces in the LC system flow path and column, making them difficult to detect and collect effectively. Although other methods, such as column pre-conditioning, can be implemented for isolating compounds known to be interactive, this option can be time-consuming and lead to sample loss and excessive solvent waste.&nbsp;</p><p>Although lab scale purifications in which tens to hundreds of milligrams of target compound are isolated from crude mixtures are still performed routinely, the trend toward smaller scale purification is becoming more prevalent. Laboratories are increasingly opting to isolate only a few milligrams of target compound for preliminary studies. Successful target candidates are then isolated in greater amounts to satisfy ensuing experiments. Whether the objective is to isolate a small amount of target compound for exploratory studies, or to purify greater amounts for their use as reference standards, a column which can resolve eluting impurities efficiently is required.&nbsp;</p><p>Echinacea is an herbaceous flowering plant in the daisy family<sup>1,2</sup> and is one of the most important medical herbs widely used to treat the common cold and other infectious diseases.<sup>3</sup> One of the most abundant compounds in echinacea is chicoric acid (Figure 1), a phenylpropanoid and caffeic acid derivative.<sup>4,5</sup> In this scale-up study, chicoric acid, a suspected “sticky” target polar compound was isolated from a complex echinacea tea extract using two inert XSelect HSS T3 MaxPeak Premier OBD Columns with different particle sizes and dimensions (3.5 μm 10 x 100 mm and 5 μm 10 x 150 mm). The MaxPeak Premier OBD preparative HPLC columns are considered ’inert’ because they are enabled with Waters High Performance Surface (HPS) Technology. The chicoric acid isolated using the 3.5 μm column was of equivalent UV purity to the product isolated using the 5 μm column, with a 34% savings in run time. Smaller particle preparative isolations using columns with inert hardware are a practical option for those laboratories where reduced amounts of target are needed for projects conducted on accelerated timelines.</p><h4><strong>METHODS</strong></h4><ul><li><strong>Analytical Columns and flow rate:</strong> ACQUITY Premier HSS T3 and <a target="_blank" rel="noopener noreferrer" href="https://labrulez.com/en-us/all/products/1952"><strong>ACQUITY UPLC HSS T3 Columns</strong></a>; 1.8 μm, 2.1x50 mm; 0.35 mL/min&nbsp;</li><li><strong>Prep Columns and flow rate:</strong> XSelect HSS T3 OBD Prep Column and XSelect Premier HSS T3 OBD Prep (custom) Columns, 5 μm, 10x150 mm; XSelect Premier HSS T3 OBD Prep Column, 3.5 μm, 10x100 mm; 5.4 mL/min</li></ul><h5><strong>Instrumentation&nbsp;</strong></h5><ul><li><strong>Analytical:</strong> <a target="_blank" rel="noopener noreferrer" href="https://labrulez.com/en-us/all/products/198"><strong>ACQUITY UPLC H-Class System</strong></a>; Quaternary Solvent Manager, Sample Manager FTN-H, Column Manager, TUV Detector, <a target="_blank" rel="noopener noreferrer" href="https://labrulez.com/en-us/all/products/1543"><strong>ACQUITY QDa Detector&nbsp;</strong></a></li><li><strong>Prep:</strong> Waters AutoPurification System; 2545 Binary Gradient Module, 2767 Sample Manager, System Fluidics Organizer, 2998 Photodiode Array Detector</li></ul><h4><strong>CONCLUSIONS&nbsp;</strong></h4><ul><li>Chicoric acid was analyzed and isolated using analytical and preparative MaxPeak Premier HSS T3 Columns with inert surfaces, which increased the peak area and height for improved detection and collection.&nbsp;</li><li>Chicoric acid was successfully isolated using 3.5 and 5 μm XSelect Premier HSS T3 OBD Prep Columns and fraction pool analysis showed equivalent UV purity, which suggests the viability of incorporating small particle preparative chromatography into the purification workflow.&nbsp;</li><li>3.5 μm preparative columns improve purification process efficiency and promote sustainability by reducing method run time, solvent usage, and fraction lyophilization time.&nbsp;</li><li>Inert MaxPeak Premier column hardware, OBD Technology, and small particle preparative columns are well-suited for the demands of the purification laboratory when results must be generated efficiently to satisfy accelerated production timelines</li></ul></div></div></div></div></div></div></section></div></div>

News from LabRulezLCMS Library - Week 40, 2026

<p><strong>Our Library never stops expanding. What are the most recent contributions to LabRulezLCMS Library in the week of 5th October 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>Metrohm </strong>and posters by <strong>Shimadzu / ASMS, Thermo Fisher Scientific / Metabolomics </strong>and <strong>Waters Corporation / ASMS!</strong></p><h3><strong>1. Metrohm: Carbonate in lithium carbonate by potentiometric titration</strong></h3><p><strong>Determination of carbonate in lithium carbonate by potentiometric titration according to draft standard ISO 10662</strong></p><ul><li>Application note</li><li><a target="_blank" rel="noopener noreferrer" href="https://labrulez.com/pdf/an_t_251_download_c1c530d784.pdf"><strong>Full PDF for download</strong></a></li></ul><p>Lithium carbonate is one of the main lithium salts in cathode materials used for lithium-ion batteries. Accurate carbonate and overall purity determination in this raw material are essential because even trace impurities can affect key physicochemical properties, ultimately influencing electrochemical behavior in downstream applications. This is especially significant in battery-grade materials, where strict compositional tolerances are required to ensure consistent manufacturing performance, long-term cell stability, and overall safety. This Application Note describes carbonate content determination in lithium carbonate on an automated OMNIS system with Dis-Cover lids. The ISO 10662 draft method quantifies the main content of lithium carbonate to enable a precise assessment of material purity.</p><h4><strong>EXPERIMENTAL</strong></h4><p>The analysis is carried out on an <a target="_blank" rel="noopener noreferrer" href="https://labrulez.com/en-us/lcms/library?mainauthorItems=220&amp;search=OMNIS+Titrator"><strong>OMNIS Advanced Titrator</strong> </a>with an <a target="_blank" rel="noopener noreferrer" href="https://labrulez.com/en-us/lcms/library?mainauthorItems=220&amp;search=OMNIS+Sample+Robot"><strong>OMNIS Sample Robot</strong></a> equipped with a dUnitrode and Dis-Cover lids (Figure 1). A blank analysis is performed with a start volume of hydrochloric acid and titrated until after the equivalence point. Samples are titrated with hydrochloric acid until after the second equivalence point.</p><h4><strong>CONCLUSION</strong></h4><p>The OMNIS Titrator and OMNIS Sample Robot with Dis-Cover lids provide a fast and reliable determination of carbonate in lithium carbonate according to draft standard ISO 10662. The OMNIS system can be expanded to other titration applications as required.</p><h3><strong>2. Shimadzu / ASMS: Comprehensive Untargeted Metabolomic Analysis from Five Stages of Blueberry Development by High Resolution Accurate Mass Spectrometry</strong></h3><ul><li>Poster</li><li><a target="_blank" rel="noopener noreferrer" href="https://labrulez.com/pdf/MP_459_Comprehensive_Untargeted_Metabolomic_Analysis_from_Five_Stages_of_Blueberry_Development_by_High_Resolution_Accurate_Mass_Spectrometry_bc0aadf181.pdf"><strong>Full PDF for download</strong></a></li></ul><p>Metabolomic studies of blueberry cultivars and growth stages have been conducted to identify optimal cultivation conditions maximizing antioxidant production. Many of these studies utilize reversed phase (RP) chromatography and target fragmentation data collection at the most abundant chemical species as observed by electrospray ionization mass spectrometry (ESI MS). However, this strategy may miss important metabolites suppressed by matrix effects or unfavorable ionization. A comprehensive untargeted metabolomic study was performed to determine how diverse chromatographic separation and multiple fragmentation strategies could impact the identification of additional metabolites. The expanded metabolomics data was used to assess differences across fruit developmental stages and determine if unique metabolomic populations could be identified between stages.</p><h4><strong>Methods</strong></h4><p>All samples were analyzed in triplicate and in a randomized order using a <a target="_blank" rel="noopener noreferrer" href="https://labrulez.com/en-us/lcms/library?mainauthorItems=1&amp;search=nexera+hplc"><strong>Nexera HPLC</strong></a> and a <a target="_blank" rel="noopener noreferrer" href="https://labrulez.com/en-us/lcms/library?mainauthorItems=1&amp;search=9050"><strong>Shimadzu LCMS-9050 Q-TOF</strong></a>. To maximize feature identification across the blueberry developmental stages, both RP and hydrophilic interaction liquid chromatography (HILIC) were used. Mass spectrometry data was collected with ESI in positive and negative mode using data-independent analysis (DIA) and data-dependent analysis (DDA), generating 8 different analytical methods in total.</p><h4><strong>Conclusions</strong></h4><p>The Shimadzu LCMS-9050 provided a comprehensive analysis of plant extracts when complementary chromatographic and MS analysis modes were utilized. All five growth stages showed distinct metabolimic populations. Overall differentiation of groups is captured by any of the analytical methods employed, but the same approach can be used to get a more holistic approach to metabolome coverage. If reduced analysis time is preferred, a combination of HILIC DDA and RP DDA methods characterize most metabolites.</p><h3><strong>3. Thermo Fisher Scientific / Metabolomics: Pushing the limits of structural lipidomics: enhanced sensitivity and MS³-driven annotation on Orbitrap Tribrid Apex Small Molecule MS</strong></h3><ul><li>Poster</li><li><a target="_blank" rel="noopener noreferrer" href="https://labrulez.com/pdf/po_004763_ccs_surepac_protein_reverse_phase_mabs_separation_po004763_na_en_56199ec50d.pdf"><strong>Full PDF for download</strong></a></li></ul><p>Advances in lipidomic analysis require mass spectrometry deliver high sensitivity, rapid acquisition, and efficient parallel use of multiple mass analyzers. Orbitrap Tribrid Apex Small Molecule MS was evaluated to meet these demands through improved sensitivity, faster polarity switching, and enhanced parallelization between the Orbitrap analyzer and linear ion trap analyzer. High-resolution MS enables effective resolution of isobaric lipid species, while alternative fragmentation strategies with rapid MSⁿ, supports confident lipid identification and structural annotation of lipid classes. The parallel operation of the Orbitrap analyzer and linear ion trap analyzer minimizes duty-cycle limitations while maximizing data density and throughput. Leveraging these instrument enhancements, robust lipidomics workflows were demonstrated through method evaluation with lipid reference materials and application to complex biological samples from plants.</p><h4><strong>Materials and methods</strong></h4><p><strong>Instrumentation and methods: </strong>A <a target="_blank" rel="noopener noreferrer" href="https://labrulez.com/en-us/all/products/1988"><strong>Thermo Scientific Accucore C30 HPLC Column</strong></a> (150 mm x 2.1 mm, 2.6 µm particle size) connected to a <a target="_blank" rel="noopener noreferrer" href="https://labrulez.com/en-us/all/products/744"><strong>Thermo Scientific Vanquish Horizon UHPLC System</strong></a> and a <a target="_blank" rel="noopener noreferrer" href="https://labrulez.com/en-us/lcms/library?mainauthorItems=3&amp;search=Orbitrap+Tribrid+Apex"><strong>Orbitrap Tribrid Apex Small Molecule MS</strong></a> were used to acquire the data.</p><h4><strong>Conclusions&nbsp;</strong></h4><p>We have successfully demonstrated the utility of the Orbitrap Tribrid Apex Small Molecule MS for structural lipidomics, using various fragmentation strategies on an LC timescale. We applied this to study lipid extracts from a plant and annotated around 1700 high grade lipids.</p><h3><strong>4. Waters Corporation / ASMS: Tandem Quadrupole DESI Imaging To Visualize Spatial Distribution of Gefitinib and Related Metabolites in Rat Liver</strong></h3><ul><li>Poster</li><li><a target="_blank" rel="noopener noreferrer" href="https://labrulez.com/pdf/720009433_4e913e0193.pdf"><strong>Full PDF for download</strong></a></li></ul><div><div><section><div><div><div><div><div><div><p><span>This poster presents a targeted DESI-MS/MS imaging workflow for visualizing the spatial distribution of gefitinib and its metabolites in rat liver after a single therapeutic subcutaneous dose. The study addresses a common limitation in drug-distribution studies: spatial localization is often assessed using radiolabeled compounds, which may not be available during early drug discovery. DESI offers a label-free ambient ionization approach with minimal sample preparation, enabling direct mapping of drugs and metabolites in tissue.</span></p><p><span>Male Wistar rats received gefitinib at 10 mg/kg, while plasma, urine, and liver samples were collected over a 24-hour period. Plasma and urine were analyzed by LC-MS/MS for pharmacokinetics and metabolite identification, whereas fresh-frozen liver sections were analyzed by targeted DESI MRM imaging on a </span><a target="_blank" rel="noopener noreferrer" href="https://labrulez.com/en-us/all/products/2100"><span><strong>Xevo TQ-Absolute XR tandem quadrupole mass spectrometer</strong></span></a><span>. Liver sections were cryosectioned to 10 µm thickness and analyzed using DESI with a methanol/water solvent containing formic acid.&nbsp;</span></p><p><span>The targeted DESI imaging experiment detected gefitinib together with six metabolites in liver tissue. Signal intensities were generally highest at approximately 1 hour after dosing, but the compounds remained detectable at 24 hours. Importantly, this was achieved at a therapeutically relevant dose rather than the much higher doses often required for imaging studies. The spatial imaging data also showed good agreement with LC-MS/MS pharmacokinetic profiles, particularly for gefitinib and the M11 metabolite.&nbsp;</span></p><p><span>Overall, the poster demonstrates that tandem quadrupole DESI MRM imaging can complement conventional LC-MS/MS by adding spatial information to quantitative pharmacokinetic and metabolite data. The approach enables label-free mapping of drug distribution directly in tissue and may therefore provide a useful tool for drug metabolism and disposition studies during discovery and development.</span></p></div></div></div></div></div></div></section></div></div>

News from LabRulezLCMS Library - Week 41, 2026

News from LabRulezLCMS Library - Week 42, 2026

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Based in Berlin, KNAUER is a medium-sized, owner-managed company that has been serving the sciences since 1962. We develop and manufacture scientific instruments of superior quality for liquid chromatography, including: Analytical HPLC/UHPLC, Preparative HPLC, Fast protein liquid chromatography (FPLC), Multi-column chromatography/Simulated moving bed (SMB) chromatography. High pressure dosing, in-line detection systems, and osmometry are additional business areas.

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Thermo Fisher Scientific Mass Spectrometry Users’ Meetings 2026

LNP Analysis by Light Scattering: A Waters | Wyatt User Meeting

Thermo Fisher Scientific Analytical solutions forum

Validated Method for PFAS Testing in Food, Including Meats

Confidence in PFAS Data: Smarter Sample Prep, Contamination Control, Highly Sensitive and Robust MS

From sample to result: advanced sample prep strategies for food and environmental matrices