scholarly journals EISA-MRM: Multiple Reaction Monitoring with Single Quadrupole Mass Spectrometry

2021 ◽  
Author(s):  
Jingchuan Xue ◽  
Rico J.E. Derks ◽  
William Wwebb ◽  
Aries Aisporna ◽  
Martin Giera ◽  
...  
Keyword(s):  
Mass Spectrometry ◽  
Quantitative Analysis ◽  
Dynamic Range ◽  
Matrix Effects ◽  
Multiple Reaction Monitoring ◽  
Mass Spectrometry Analysis ◽  
Reaction Monitoring ◽  
Quadrupole Mass ◽  
Fragment Ions ◽  
Specificity And Sensitivity

<p>Enhanced in-source fragmentation annotation combined with single quadrupole multiple reaction monitoring (EISA-MRM) has been designed for quantitative mass spectrometry analysis. EISA contrasts to traditional electrospray as a soft ionization technology and is proving to be advantageous since the resulting fragment ions are identical as those generated in tandem mass spectrometry. Criteria established by the European Union Commission Directive 2002/657/EC for electron ionization single quadrupole quantitative analysis was used for the EISA-MRM quantitative analyses and experiments were performed on multiple types of complex samples that included a mixture of 50 standards, as well as cell and plasma extracts. The dynamic range for quantitative analysis was comparable to QqQ-MRM analyses at up to 5 orders of magnitude and the EISA-MRM and QqQ-MRM of the cell and plasma extracts showed similar matrix effects. Amino acid and fatty acid measurements performed from certified NIST 1950 plasma with isotopically labelled standards demonstrated EISA-MRM accuracy in the range of 91-110% for the amino acids, 76-129% for the fatty acids, and precision with a CV < 10%. In order to enhance specificity and sensitivity, a newly developed Correlated SIM Chromatogram (CSC) algorithm was designed to facilitate MRM quality analyses. The EISA-MRM quantitative analysis with CSC informatics enables both precursor and in-source fragment ions to be correlated within a single quadrupole mass spectrometer.</p>

scholarly journals EISA-MRM: Multiple Reaction Monitoring with Single Quadrupole Mass Spectrometry

2021 ◽  
Author(s):  
Jingchuan Xue ◽  
Rico J.E. Derks ◽  
William Wwebb ◽  
Aries Aisporna ◽  
Martin Giera ◽  
...  
Keyword(s):  
Mass Spectrometry ◽  
Quantitative Analysis ◽  
Dynamic Range ◽  
Matrix Effects ◽  
Multiple Reaction Monitoring ◽  
Mass Spectrometry Analysis ◽  
Reaction Monitoring ◽  
Quadrupole Mass ◽  
Fragment Ions ◽  
Specificity And Sensitivity

<p>Enhanced in-source fragmentation annotation combined with single quadrupole multiple reaction monitoring (EISA-MRM) has been designed for quantitative mass spectrometry analysis. EISA contrasts to traditional electrospray as a soft ionization technology and is proving to be advantageous since the resulting fragment ions are identical as those generated in tandem mass spectrometry. Criteria established by the European Union Commission Directive 2002/657/EC for electron ionization single quadrupole quantitative analysis was used for the EISA-MRM quantitative analyses and experiments were performed on multiple types of complex samples that included a mixture of 50 standards, as well as cell and plasma extracts. The dynamic range for quantitative analysis was comparable to QqQ-MRM analyses at up to 5 orders of magnitude and the EISA-MRM and QqQ-MRM of the cell and plasma extracts showed similar matrix effects. Amino acid and fatty acid measurements performed from certified NIST 1950 plasma with isotopically labelled standards demonstrated EISA-MRM accuracy in the range of 91-110% for the amino acids, 76-129% for the fatty acids, and precision with a CV < 10%. In order to enhance specificity and sensitivity, a newly developed Correlated SIM Chromatogram (CSC) algorithm was designed to facilitate MRM quality analyses. The EISA-MRM quantitative analysis with CSC informatics enables both precursor and in-source fragment ions to be correlated within a single quadrupole mass spectrometer.</p>

scholarly journals Single Quadrupole Multiple Reaction Monitoring Q-MRM enables Quantitative Mass Spectrometry

2021 ◽  
Author(s):  
Jingchuan Xue ◽  
Rico J.E. Derks ◽  
William Wwebb ◽  
Aries Aisporna ◽  
Martin Giera ◽  
...  
Keyword(s):  
Mass Spectrometry ◽  
Quantitative Analysis ◽  
Matrix Effects ◽  
Multiple Reaction Monitoring ◽  
Mass Spectrometry Analysis ◽  
Good Precision ◽  
Reaction Monitoring ◽  
Font Size ◽  
Quantitative Mass Spectrometry ◽  
Fragment Ions

<p> </p><p>A single quadrupole combined with enhanced in-source fragmentation/annotation (EISA) was used to perform multiple reaction monitoring (Q-MRM) for quantitative mass spectrometry analysis. EISA amplifies fragmentation of traditional soft electrospray ionization to produce fragment ions that have been found to be identical to those generated in tandem mass spectrometry. We have combined EISA fragmentation data with criteria established by the European Union Commission Directive 2002/657/EC for electron ionization single quadrupole quantitative analysis to perform quantitative Q-MRM experiments. These experiments were performed on multiple types of complex samples that included a mixture of 50 standards, as well as cell and plasma extracts. The dynamic range for Q-MRM quantitative analysis was comparable to triple quadrupole multiple reaction monitoring (QqQ-MRM) analyses at up to 5 orders of magnitude with the cell and plasma extracts showing similar matrix effects across both platforms. Amino acid and fatty acid measurements performed from certified NIST 1950 plasma with isotopically labelled standards demonstrated Q-MRM accuracy in the range of 91-110% for the amino acids, 76-129% for the fatty acids, and good precision (coefficient of variation < 10%). In order to enhance specificity, a newly developed Correlated Ion Monitoring (CIM) algorithm was designed to facilitate these analyses. CIM autonomously processes, aligns, filters, and compiles multiple ions within one chromatogram enabling both precursor and in-source fragment ions to be correlated within a single chromatogram, also enabling the detection of co-eluting species based on precursor and fragment ion ratios. Q-MRM and CIM with single quadrupole instrumentation has been designed as an alternative to QqQ-MRM technology by correlating precursor and fragment ions to facilitate high sensitivity Q-MRM quantitative analysis on existing instrumentation that are generally inexpensive, easy to operate, and technically less complex. </p> <p>@font-face {font-family:"Cambria Math"; panose-1:2 4 5 3 5 4 6 3 2 4; mso-font-charset:0; mso-generic-font-family:roman; mso-font-pitch:variable; mso-font-signature:3 0 0 0 1 0;}p.MsoNormal, li.MsoNormal, div.MsoNormal {mso-style-unhide:no; mso-style-qformat:yes; mso-style-parent:""; margin:0in; mso-pagination:widow-orphan; font-size:12.0pt; font-family:"Times New Roman",serif; mso-fareast-font-family:"Times New Roman";}.MsoChpDefault {mso-style-type:export-only; mso-default-props:yes; font-size:11.0pt; mso-ansi-font-size:11.0pt; mso-bidi-font-size:11.0pt; font-family:"Calibri",sans-serif; mso-ascii-font-family:Calibri; mso-ascii-theme-font:minor-latin; mso-fareast-font-family:DengXian; mso-fareast-theme-font:minor-fareast; mso-hansi-font-family:Calibri; mso-hansi-theme-font:minor-latin; mso-bidi-font-family:"Times New Roman"; mso-bidi-theme-font:minor-bidi; mso-fareast-language:ZH-CN;}.MsoPapDefault {mso-style-type:export-only; margin-bottom:8.0pt; line-height:107%;}div.WordSection1 {page:WordSection1;}</p>

scholarly journals Determination of Unsulfonated Aromatic Amines in FD&C Yellow No. 5 and FD&C Yellow No. 6 by Liquid Chromatography–Triple Quadrupole Mass Spectrometry

2019 ◽  
Vol 102 (2) ◽  
pp. 580-589
Author(s):  
Nebebech Belai ◽  
Samuel R White
Keyword(s):  
Aromatic Amines ◽  
Matrix Effects ◽  
Multiple Reaction Monitoring ◽  
Current Method ◽  
Regression Coefficients ◽  
Reaction Monitoring ◽  
Triple Quadrupole ◽  
Quadrupole Mass ◽  
The U.S

Abstract Background: This paper describes a simple and sensitive ultra-HPLC–triple quadrupole MS (LC-MS/MS) method for the determination of six unsulfonated aromatic amines in the color additives FD&C Yellow No. 5 (Y5) and FD&C Yellow No. 6 (Y6). The six amines determined by thismethod are aniline (ANL), benzidine (BNZ), 4-aminobiphenyl (4ABP), 4-aminoazobenzene (4AAB), 2-aminobiphenyl (2ABP), and 4-aminobenzonitrile (4ABN). Objective: This method is intended foruse in batch certification of the color additives by the U.S. Food and Drug Administration (FDA) to ensure that each lot meets published specifications for coloring foods, drugs, and cosmetics. Methods: A modified quick, easy, cheap, effective, rugged, and safe (QuEChERS) procedure is used for extraction of the amines. Quantitative determination was performed in electrospray positive ionization and multiple-reaction monitoring modes. Results: Validation of the method demonstrated overall recovery of 101–115% and precision of 1.74–9.78% for all analytes. Excellent regression coefficients were obtained, with values &gt;0.999. Conclusions: The validated method was successfully used for the analyses of 30 Y5 and Y6 samples and provided results that are consistent with results from the current method used by FDA, with greater sensitivity and low matrix effects. Highlights: The validation results demonstrate that the new LC-MS/MS method is applicable for use in routine batch certification.

scholarly journals Precision of Multiple Reaction Monitoring Mass Spectrometry Analysis of Formalin-Fixed, Paraffin-Embedded Tissue

2012 ◽  
Vol 11 (6) ◽  
pp. 3498-3505 ◽  
Author(s):  
Robert W. Sprung ◽  
Misti A. Martinez ◽  
Kristen L. Carpenter ◽  
Amy-Joan L. Ham ◽  
Mary Kay Washington ◽  
...  
Keyword(s):  
Mass Spectrometry ◽  
Multiple Reaction Monitoring ◽  
Mass Spectrometry Analysis ◽  
Reaction Monitoring ◽  
Spectrometry Analysis ◽  
Formalin Fixed Paraffin ◽  
Formalin Fixed Paraffin Embedded ◽  
Formalin Fixed

scholarly journals Targeted Mass Spectrometry Enables Multiplexed Quantification of Immunomodulatory Proteins in Clinical Biospecimens

2021 ◽  
Vol 12 ◽  
Author(s):  
Jeffrey R. Whiteaker ◽  
Rachel A. Lundeen ◽  
Lei Zhao ◽  
Regine M. Schoenherr ◽  
Aura Burian ◽  
...  
Keyword(s):  
Mass Spectrometry ◽  
Tumor Microenvironment ◽  
Tumor Response ◽  
Dynamic Range ◽  
Multiple Reaction Monitoring ◽  
Research Community ◽  
Reaction Monitoring ◽  
Figures Of Merit ◽  
Frozen Tissue ◽  
Grade 3

Immunotherapies are revolutionizing cancer care, producing durable responses and potentially cures in a subset of patients. However, response rates are low for most tumors, grade 3/4 toxicities are not uncommon, and our current understanding of tumor immunobiology is incomplete. While hundreds of immunomodulatory proteins in the tumor microenvironment shape the anti-tumor response, few of them can be reliably quantified. To address this need, we developed a multiplex panel of targeted proteomic assays targeting 52 peptides representing 46 proteins using peptide immunoaffinity enrichment coupled to multiple reaction monitoring-mass spectrometry. We validated the assays in tissue and plasma matrices, where performance figures of merit showed over 3 orders of dynamic range and median inter-day CVs of 5.2% (tissue) and 21% (plasma). A feasibility study in clinical biospecimens showed detection of 48/52 peptides in frozen tissue and 38/52 peptides in plasma. The assays are publicly available as a resource for the research community.

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