LC Method 1 (reversed-phase) accurate mass retention time (AMRT) database

Development of a Retention Time Interpolation scale (RTi) for liquid chromatography coupled to mass spectrometry in both positive and negative ionization modes

Celma Tirado, Alberto
Bijlsma, Lubertus
López Benet, Francisco José
Sancho Llopis, Juan Vicente

July 2018

The accuracy and sensitivity of high resolution mass spectrometry (HRMS) enables the identification ...

N-Alkylpyridinium sulfonates for retention time indexing in reversed-phase-liquid chromatography-mass spectrometry–based metabolomics.

Stoffel, R.
Quilliam, M.A.
Hardt, N.
Fridstrom, A.
Witting, M.

January 2021

Chromatographic retention time information is valuable, orthogonal information to MS and MS/MS data ...

Development and Application of Liquid Chromatographic Retention Time Indices in HRMS-Based Suspect and Nontarget Screening

Aalizadeh, Reza
Alygizakis, Nikiforos A.
Schymanski, Emma
Krauss, Martin
Schulze, Tobias
Ibáñez, María
McEachran, Andrew D.
Chao, Alex
Williams, Antony J.
Gago-Ferrero, Pablo
Covaci, Adrian
Moschet, Christoph
Young, Thomas M.
Hollender, Juliane
Slobodnik, Jaroslav
Thomaidis, Nikolaos S.

January 2021

There is an increasing need for comparable and harmonized retention times (tR) in liquid chromatogra...

LC Method 2 (reversed-phase) accurate mass retention time (AMRT) database

Brendan P Norman (6263130)
Andrew S Davison (6263107)
Gordon A Ross (6263108)
Anna M Milan (6263109)
Andrew T Hughes (6263111)
Hazel Sutherland (5993543)
Jonathan C Jarvis (6263120)
Norman B Roberts (6263125)
James A Gallagher (6263128)
Lakshminarayan R Ranganath (6263129)

February 2019

AMRT database generated from IROA Technology MS metabolite library of standards (Sigma-Aldrich, UK) ...

LC Method 3 (normal-phase) accurate mass retention time (AMRT) database

Brendan P Norman (6263130)
Andrew S Davison (6263107)
Gordon A Ross (6263108)
Anna M Milan (6263109)
Andrew T Hughes (6263111)
Hazel Sutherland (5993543)
Jonathan C Jarvis (6263120)
Norman B Roberts (6263125)
James A Gallagher (6263128)
Lakshminarayan R Ranganath (6263129)

February 2019

AMRT database generated from IROA Technology MS metabolite library of standards (Sigma-Aldrich, UK) ...

QTOF-MS analytical conditions for AMRT database generation

Brendan P Norman (6263130)
Andrew S Davison (6263107)
Gordon A Ross (6263108)
Anna M Milan (6263109)
Andrew T Hughes (6263111)
Hazel Sutherland (5993543)
Jonathan C Jarvis (6263120)
Norman B Roberts (6263125)
James A Gallagher (6263128)
Lakshminarayan R Ranganath (6263129)

February 2019

QTOF-MS analytical conditions for analysis of IROA Technology MS metabolite library of standards, an...

Development of an Accurate Mass Retention Time Database for Untargeted Metabolomic Analysis and Its Application to Plasma and Urine Pediatric Samples

Chiara Lavarello
Sebastiano Barco
Martina Bartolucci
Isabella Panfoli
Emanuele Magi
Gino Tripodi
Andrea Petretto
Giuliana Cangemi

July 2021

Liquid-chromatography coupled to high resolution mass spectrometry (LC-HRMS) is currently the method...

Development of an accurate mass retention time database for untargeted metabolomic analysis and its application to plasma and urine pediatric samples

Lavarello C.
Barco S.
Bartolucci M.
Panfoli I.
Magi E.
Tripodi G.
Petretto A.
Cangemi G.

January 2021

Liquid-chromatography coupled to high resolution mass spectrometry (LC-HRMS) is currently the method...

The use of LC predicted retention times to extend metabolites identification with SWATH data acquisition

Bruderer, Tobias
Varesio, Emmanuel
Hopfgartner, Gerard

January 2017

The application of predicted LC retention time to support metabolite identification was evaluated fo...

Retention time and LC/MRM-MS parameters for 13 standard compounds and 2 internal standard.

Der-Yuan Chen (511274)
Yi-Ming Chen (511275)
Han-Ju Chien (3599507)
Chi-Chen Lin (511276)
Chia-Wei Hsieh (3353159)
Hsin-Hua Chen (802385)
Wei-Ting Hung (1938895)
Chien-Chen Lai (499920)

December 2016

Retention time and LC/MRM-MS parameters for 13 standard compounds and 2 internal standard.</p

The retention time (RT), MS data of the 34 common constituents screened out from the YZT by RRLC-Q-TOF.

Haiyu Xu (138273)
Ke Li (106849)
Yanjun Chen (495068)
Yingchun Zhang (439707)
Shihuan Tang (138276)
Shanshan Wang (283009)
Dan Shen (380488)
Xuguang Wang (495069)
Yun Lei (495070)
Defeng Li (147787)
Yi Zhang (9093)
Lan Jin (464006)
Hongjun Yang (138270)
Luqi Huang (130414)

December 2013

The retention time (RT), MS data of the 34 common constituents screened out from the YZT by RRLC-...

Retention time (RT), line equation, coefficient of determination (r2), maximum percent residual, limit of detection (LOD), limit of quantification (LOQ) and attributed internal standard (IS) for each metabolite.

Kaoutar Leghmar (769546)
Nicolas Cenac (461193)
Maude Rolland (769547)
Hélène Martin (232730)
Benjamin Rauwel (769548)
Justine Bertrand-Michel (76337)
Pauline Le Faouder (461190)
Mélinda Bénard (769549)
Charlotte Casper (769550)
Christian Davrinche (522501)
Thierry Fournier (2627266)
Stéphane Chavanas (270094)

July 2015

Retention time (RT), line equation, coefficient of determination (r2), maximum percent residual, ...

Retention time indexing in RP-LC-MS based metabolomics for enhancing metabolite identification. A cross-lab trial

Witting, Michael
Sillner, Nina
Spaggiari, Dany
Rudaz, Serge
Lintelmann, Jutta
Schnitzler, J\uf6rg-Peter
Begou, Olga
Theodoridis, Georgios
Gika, Helen
Schmitt-Kopplin, Ph.
Quilliam, Michael Arthur

June 2016

Metabolite identification is still the major bottleneck in non-targeted metabolomics. Different leve...

Linear regression equation, correlation coefficient (r2) and linear range of concentration for each analyte (pdf)

Lucia Helena Faccioli (4907698)
Carlos Artério Sorgi (292832)
Luiz Moraes (4907695)
Ana Paula Ferranti Peti (4907704)
Tania Petta (4907710)
Alyne Favero Galvão Meirelles (4907707)
Caroline Fontanari (4907701)

August 2018

Showed the linear regression graphics. MS files were processed for each metabolite quantified in MRM...

Linear regression equation, correlation coefficient (r2) and linear range of concentration for each analyte (xlsx)

Lucia Helena Faccioli (4907698)
Carlos Artério Sorgi (292832)
Luiz Moraes (4907695)
Ana Paula Ferranti Peti (4907704)
Tania Petta (4907710)
Alyne Favero Galvão Meirelles (4907707)
Caroline Fontanari (4907701)

August 2018

Showed the linear regression graphics. MS files were processed for each metabolite quantified in MRM...

Development of a Retention Time Interpolation scale (RTi) for liquid chromatography coupled to mass spectrometry in both positive and negative ionization modes

Celma Tirado, Alberto
Bijlsma, Lubertus
López Benet, Francisco José
Sancho Llopis, Juan Vicente

July 2018

The accuracy and sensitivity of high resolution mass spectrometry (HRMS) enables the identification ...

N-Alkylpyridinium sulfonates for retention time indexing in reversed-phase-liquid chromatography-mass spectrometry–based metabolomics.

Stoffel, R.
Quilliam, M.A.
Hardt, N.
Fridstrom, A.
Witting, M.

January 2021

Chromatographic retention time information is valuable, orthogonal information to MS and MS/MS data ...

Development and Application of Liquid Chromatographic Retention Time Indices in HRMS-Based Suspect and Nontarget Screening

Aalizadeh, Reza
Alygizakis, Nikiforos A.
Schymanski, Emma
Krauss, Martin
Schulze, Tobias
Ibáñez, María
McEachran, Andrew D.
Chao, Alex
Williams, Antony J.
Gago-Ferrero, Pablo
Covaci, Adrian
Moschet, Christoph
Young, Thomas M.
Hollender, Juliane
Slobodnik, Jaroslav
Thomaidis, Nikolaos S.

January 2021

There is an increasing need for comparable and harmonized retention times (tR) in liquid chromatogra...

LC Method 2 (reversed-phase) accurate mass retention time (AMRT) database

Brendan P Norman (6263130)
Andrew S Davison (6263107)
Gordon A Ross (6263108)
Anna M Milan (6263109)
Andrew T Hughes (6263111)
Hazel Sutherland (5993543)
Jonathan C Jarvis (6263120)
Norman B Roberts (6263125)
James A Gallagher (6263128)
Lakshminarayan R Ranganath (6263129)

February 2019

AMRT database generated from IROA Technology MS metabolite library of standards (Sigma-Aldrich, UK) ...

LC Method 3 (normal-phase) accurate mass retention time (AMRT) database

Brendan P Norman (6263130)
Andrew S Davison (6263107)
Gordon A Ross (6263108)
Anna M Milan (6263109)
Andrew T Hughes (6263111)
Hazel Sutherland (5993543)
Jonathan C Jarvis (6263120)
Norman B Roberts (6263125)
James A Gallagher (6263128)
Lakshminarayan R Ranganath (6263129)

February 2019

AMRT database generated from IROA Technology MS metabolite library of standards (Sigma-Aldrich, UK) ...

QTOF-MS analytical conditions for AMRT database generation

Brendan P Norman (6263130)
Andrew S Davison (6263107)
Gordon A Ross (6263108)
Anna M Milan (6263109)
Andrew T Hughes (6263111)
Hazel Sutherland (5993543)
Jonathan C Jarvis (6263120)
Norman B Roberts (6263125)
James A Gallagher (6263128)
Lakshminarayan R Ranganath (6263129)

February 2019

QTOF-MS analytical conditions for analysis of IROA Technology MS metabolite library of standards, an...

Development of an Accurate Mass Retention Time Database for Untargeted Metabolomic Analysis and Its Application to Plasma and Urine Pediatric Samples

Chiara Lavarello
Sebastiano Barco
Martina Bartolucci
Isabella Panfoli
Emanuele Magi
Gino Tripodi
Andrea Petretto
Giuliana Cangemi

July 2021

Liquid-chromatography coupled to high resolution mass spectrometry (LC-HRMS) is currently the method...

Development of an accurate mass retention time database for untargeted metabolomic analysis and its application to plasma and urine pediatric samples

Lavarello C.
Barco S.
Bartolucci M.
Panfoli I.
Magi E.
Tripodi G.
Petretto A.
Cangemi G.

January 2021

Liquid-chromatography coupled to high resolution mass spectrometry (LC-HRMS) is currently the method...

The use of LC predicted retention times to extend metabolites identification with SWATH data acquisition

Bruderer, Tobias
Varesio, Emmanuel
Hopfgartner, Gerard

January 2017

The application of predicted LC retention time to support metabolite identification was evaluated fo...

Retention time and LC/MRM-MS parameters for 13 standard compounds and 2 internal standard.

Der-Yuan Chen (511274)
Yi-Ming Chen (511275)
Han-Ju Chien (3599507)
Chi-Chen Lin (511276)
Chia-Wei Hsieh (3353159)
Hsin-Hua Chen (802385)
Wei-Ting Hung (1938895)
Chien-Chen Lai (499920)

December 2016

Retention time and LC/MRM-MS parameters for 13 standard compounds and 2 internal standard.</p

The retention time (RT), MS data of the 34 common constituents screened out from the YZT by RRLC-Q-TOF.

Haiyu Xu (138273)
Ke Li (106849)
Yanjun Chen (495068)
Yingchun Zhang (439707)
Shihuan Tang (138276)
Shanshan Wang (283009)
Dan Shen (380488)
Xuguang Wang (495069)
Yun Lei (495070)
Defeng Li (147787)
Yi Zhang (9093)
Lan Jin (464006)
Hongjun Yang (138270)
Luqi Huang (130414)

December 2013

The retention time (RT), MS data of the 34 common constituents screened out from the YZT by RRLC-...

Retention time (RT), line equation, coefficient of determination (r2), maximum percent residual, limit of detection (LOD), limit of quantification (LOQ) and attributed internal standard (IS) for each metabolite.

Kaoutar Leghmar (769546)
Nicolas Cenac (461193)
Maude Rolland (769547)
Hélène Martin (232730)
Benjamin Rauwel (769548)
Justine Bertrand-Michel (76337)
Pauline Le Faouder (461190)
Mélinda Bénard (769549)
Charlotte Casper (769550)
Christian Davrinche (522501)
Thierry Fournier (2627266)
Stéphane Chavanas (270094)

July 2015

Retention time (RT), line equation, coefficient of determination (r2), maximum percent residual, ...

Retention time indexing in RP-LC-MS based metabolomics for enhancing metabolite identification. A cross-lab trial

Witting, Michael
Sillner, Nina
Spaggiari, Dany
Rudaz, Serge
Lintelmann, Jutta
Schnitzler, J\uf6rg-Peter
Begou, Olga
Theodoridis, Georgios
Gika, Helen
Schmitt-Kopplin, Ph.
Quilliam, Michael Arthur

June 2016

Metabolite identification is still the major bottleneck in non-targeted metabolomics. Different leve...

Linear regression equation, correlation coefficient (r2) and linear range of concentration for each analyte (pdf)

Lucia Helena Faccioli (4907698)
Carlos Artério Sorgi (292832)
Luiz Moraes (4907695)
Ana Paula Ferranti Peti (4907704)
Tania Petta (4907710)
Alyne Favero Galvão Meirelles (4907707)
Caroline Fontanari (4907701)

August 2018

Showed the linear regression graphics. MS files were processed for each metabolite quantified in MRM...

Linear regression equation, correlation coefficient (r2) and linear range of concentration for each analyte (xlsx)

Lucia Helena Faccioli (4907698)
Carlos Artério Sorgi (292832)
Luiz Moraes (4907695)
Ana Paula Ferranti Peti (4907704)
Tania Petta (4907710)
Alyne Favero Galvão Meirelles (4907707)
Caroline Fontanari (4907701)

August 2018

Showed the linear regression graphics. MS files were processed for each metabolite quantified in MRM...

Development of a Retention Time Interpolation scale (RTi) for liquid chromatography coupled to mass spectrometry in both positive and negative ionization modes

Celma Tirado, Alberto
Bijlsma, Lubertus
López Benet, Francisco José
Sancho Llopis, Juan Vicente

July 2018

The accuracy and sensitivity of high resolution mass spectrometry (HRMS) enables the identification ...

N-Alkylpyridinium sulfonates for retention time indexing in reversed-phase-liquid chromatography-mass spectrometry–based metabolomics.

Stoffel, R.
Quilliam, M.A.
Hardt, N.
Fridstrom, A.
Witting, M.

January 2021

Chromatographic retention time information is valuable, orthogonal information to MS and MS/MS data ...

Development and Application of Liquid Chromatographic Retention Time Indices in HRMS-Based Suspect and Nontarget Screening

Aalizadeh, Reza
Alygizakis, Nikiforos A.
Schymanski, Emma
Krauss, Martin
Schulze, Tobias
Ibáñez, María
McEachran, Andrew D.
Chao, Alex
Williams, Antony J.
Gago-Ferrero, Pablo
Covaci, Adrian
Moschet, Christoph
Young, Thomas M.
Hollender, Juliane
Slobodnik, Jaroslav
Thomaidis, Nikolaos S.

January 2021

There is an increasing need for comparable and harmonized retention times (tR) in liquid chromatogra...

LC Method 1 (reversed-phase) accurate mass retention time (AMRT) database

Abstract

Extracted data

LC Method 1 (reversed-phase) accurate mass retention time (AMRT) database

Abstract

Extracted data

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