Omics Forecasting: Predictive Calculations Permit the Rapid Interpretation of High-Resolution Mass Spectral Data from Complex Mixtures

Jonathan R. Cave; Evan Parker; Carlito Lebrilla; Andrew L. Waterhouse

doi:10.1021/acs.jafc.9b04384

Omics Forecasting: Predictive Calculations Permit the Rapid Interpretation of High-Resolution Mass Spectral Data from Complex Mixtures

Journal of Agricultural and Food Chemistry ◽

10.1021/acs.jafc.9b04384 ◽

2019 ◽

Vol 67 (48) ◽

pp. 13318-13326

Author(s):

Jonathan R. Cave ◽

Evan Parker ◽

Carlito Lebrilla ◽

Andrew L. Waterhouse

Keyword(s):

High Resolution ◽

Spectral Data ◽

Complex Mixtures ◽

Mass Spectral Data ◽

Mass Spectral ◽

High Resolution Mass ◽

Resolution Mass

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Detection and identification of oxocarboxylic and dicarboxylic acids in complex mixtures by reductive silylation and computer. Aided analysis of high resolution mass spectral data

Analytical Chemistry ◽

10.1021/ac60280a002 ◽

1969 ◽

Vol 41 (11) ◽

pp. 1392-1396 ◽

Cited By ~ 12

Author(s):

Wilhelm J. Richter ◽

B. R. Simoneit ◽

Dennis Howard. Smith ◽

Alma L. Burlingame

Keyword(s):

High Resolution ◽

Spectral Data ◽

Dicarboxylic Acids ◽

Complex Mixtures ◽

Mass Spectral Data ◽

Mass Spectral ◽

Detection And Identification ◽

Computer Aided Analysis ◽

Computer Aided ◽

Resolution Mass

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Chemical information from computer-processed high resolution mass spectral data: determination of the fragmentation patterns of multifunctional compounds

Analytical Chemistry ◽

10.1021/ac50045a008 ◽

1979 ◽

Vol 51 (9) ◽

pp. 1368-1374 ◽

Cited By ~ 3

Author(s):

Laurence W. McKeen ◽

James W. Taylor

Keyword(s):

High Resolution ◽

Spectral Data ◽

Chemical Information ◽

Mass Spectral Data ◽

Mass Spectral ◽

Multifunctional Compounds ◽

High Resolution Mass ◽

Fragmentation Patterns ◽

Resolution Mass

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Automatic reduction of high-resolution mass spectral data. Computer techniques for improved mass-measuring accuracy and resolution

Analytical Chemistry ◽

10.1021/ac60246a007 ◽

1967 ◽

Vol 39 (2) ◽

pp. 178-185 ◽

Cited By ~ 50

Author(s):

Rengachari. Venkataraghavan ◽

Fred W. McLafferty ◽

Jonathan W. Amy

Keyword(s):

High Resolution ◽

Spectral Data ◽

Mass Spectral Data ◽

Mass Spectral ◽

High Resolution Mass ◽

Measuring Accuracy ◽

Resolution Mass

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MASSFORM: A computer program for the assignment of elemental compositions to high resolution mass spectral data

Biological Mass Spectrometry ◽

10.1002/bms.1200040403 ◽

1977 ◽

Vol 4 (4) ◽

pp. 203-208 ◽

Cited By ~ 11

Author(s):

Alan L. Robertson ◽

Mynard C. Hamming

Keyword(s):

High Resolution ◽

Computer Program ◽

Spectral Data ◽

Mass Spectral Data ◽

Mass Spectral ◽

Elemental Compositions ◽

High Resolution Mass ◽

Resolution Mass

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Instrumental and numerical considerations for on-line interpretation of high resolution mass spectral data

Analytical Chemistry ◽

10.1021/ac60329a027 ◽

1973 ◽

Vol 45 (7) ◽

pp. 1031-1045 ◽

Cited By ~ 16

Author(s):

Richard M. Hilmer ◽

James W. Taylor

Keyword(s):

High Resolution ◽

Spectral Data ◽

Mass Spectral Data ◽

Mass Spectral ◽

High Resolution Mass ◽

On Line ◽

Resolution Mass

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Chemical information from computer-processed high resolution mass spectral data. Correction of intensities and conversion from isotopic species to equivalent chemical species

Analytical Chemistry ◽

10.1021/ac60344a006 ◽

1974 ◽

Vol 46 (8) ◽

pp. 1038-1044 ◽

Cited By ~ 12

Author(s):

Richard M. Hilmer ◽

James W. Taylor

Keyword(s):

High Resolution ◽

Spectral Data ◽

Chemical Species ◽

Chemical Information ◽

Mass Spectral Data ◽

Data Correction ◽

Mass Spectral ◽

Isotopic Species ◽

High Resolution Mass ◽

Resolution Mass

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Calculation of elemental compositions from high resolution mass spectral data

Analytical Chemistry ◽

10.1021/ac50053a006 ◽

1980 ◽

Vol 52 (3) ◽

pp. 394-398 ◽

Cited By ~ 12

Author(s):

R. Geoff. Dromey ◽

Gordon T. Foyster

Keyword(s):

High Resolution ◽

Spectral Data ◽

Mass Spectral Data ◽

Mass Spectral ◽

Elemental Compositions ◽

High Resolution Mass ◽

Resolution Mass

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Chemical information from computer-processed high resolution mass spectral data: determination of fragmentation pathways for single functional groups

Analytical Chemistry ◽

10.1021/ac50045a007 ◽

1979 ◽

Vol 51 (9) ◽

pp. 1361-1368 ◽

Cited By ~ 2

Author(s):

Richard M. Hilmer ◽

James W. Taylor

Keyword(s):

High Resolution ◽

Spectral Data ◽

Functional Groups ◽

Chemical Information ◽

Mass Spectral Data ◽

Fragmentation Pathways ◽

Mass Spectral ◽

High Resolution Mass ◽

Resolution Mass

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Computer Analysis of High Resolution Mass Spectral Data from Mixtures of Organic Compounds

Instrumentation Science & Technology ◽

10.1080/10739148108543540 ◽

1981 ◽

Vol 11 (5-6) ◽

pp. 425-446 ◽

Cited By ~ 3

Author(s):

R. A. Heppner ◽

J. M. Knox

Keyword(s):

High Resolution ◽

Spectral Data ◽

Organic Compounds ◽

Computer Analysis ◽

Mass Spectral Data ◽

Mass Spectral ◽

High Resolution Mass ◽

Resolution Mass

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A strategy for the prior processing of high-resolution mass spectral data obtained from high-dimensional combined fractional diagonal chromatography

Journal of Mass Spectrometry ◽

10.1002/jms.1527 ◽

2008 ◽

Vol 44 (4) ◽

pp. 516-529 ◽

Cited By ~ 9

Author(s):

Dirk Valkenborg ◽

Grégoire Thomas ◽

Luc Krols ◽

Koen Kas ◽

Tomasz Burzykowski

Keyword(s):

High Resolution ◽

Spectral Data ◽

High Dimensional ◽

Mass Spectral Data ◽

Mass Spectral ◽

High Resolution Mass ◽

Resolution Mass ◽

Prior Processing

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