Fragment Formula Calculator (FFC): Determination of Chemical Formulas for Fragment Ions in Mass Spectrometric Data

André Wegner; Daniel Weindl; Christian Jäger; Sean C. Sapcariu; Xiangyi Dong; Gregory Stephanopoulos; Karsten Hiller

doi:10.1021/ac403879d

Fragment Formula Calculator (FFC): Determination of Chemical Formulas for Fragment Ions in Mass Spectrometric Data

Analytical Chemistry ◽

10.1021/ac403879d ◽

2014 ◽

Vol 86 (4) ◽

pp. 2221-2228 ◽

Cited By ~ 19

Author(s):

André Wegner ◽

Daniel Weindl ◽

Christian Jäger ◽

Sean C. Sapcariu ◽

Xiangyi Dong ◽

...

Keyword(s):

Mass Spectrometric ◽

Mass Spectrometric Data ◽

Spectrometric Data ◽

Fragment Ions ◽

Chemical Formulas

Download Full-text

Examples of the Use of an Advanced Mass Spectrometric Data Processing Environment for the Determination of Sources of Wastes

Waste Testing and Quality Assurance: Third Volume ◽

10.1520/stp25469s ◽

2009 ◽

pp. 65-65-22

Author(s):

BM Hughes ◽

DE McKenzie ◽

CK Trang

Keyword(s):

Data Processing ◽

Mass Spectrometric ◽

Mass Spectrometric Data ◽

Spectrometric Data

Download Full-text

Application of pattern separation techniques to mass spectrometric data. Determination of hydrocarbon types and the average molecular structure of gasoline

Analytical Chemistry ◽

10.1021/ac60323a019 ◽

1973 ◽

Vol 45 (1) ◽

pp. 12-20 ◽

Cited By ~ 27

Author(s):

D D. Tunnicliff ◽

P A. Wadsworth

Keyword(s):

Molecular Structure ◽

Mass Spectrometric ◽

Pattern Separation ◽

Separation Techniques ◽

Mass Spectrometric Data ◽

Spectrometric Data

Download Full-text

Evaluation of mass spectrometric data using principal component analysis for determination of the effects of organic lakes on protein binder identification

Journal of Mass Spectrometry ◽

10.1002/jms.3699 ◽

2015 ◽

Vol 50 (11) ◽

pp. 1270-1278 ◽

Cited By ~ 13

Author(s):

Stepanka Hrdlickova Kuckova ◽

Gabriela Rambouskova ◽

Radovan Hynek ◽

Pavel Cejnar ◽

Doris Oltrogge ◽

...

Keyword(s):

Principal Component Analysis ◽

Principal Component ◽

Component Analysis ◽

Mass Spectrometric ◽

Mass Spectrometric Data ◽

Spectrometric Data

Download Full-text

Determination of Polychlorinated Compounds (Dioxins, Furans, and Biphenyls) by Level of Chlorination with Automated Interpretation of Mass Spectrometric Data

Chemical and Biological Characterization of Municipal Sludges, Sediments, Dredge Spoils, and Drilling Muds ◽

10.1520/stp26710s ◽

2008 ◽

pp. 204-204-9 ◽

Cited By ~ 1

Author(s):

AL Alford-Stevens ◽

WL Budde

Keyword(s):

Mass Spectrometric ◽

Mass Spectrometric Data ◽

Spectrometric Data ◽

Automated Interpretation

Download Full-text

Isotopic Peak Intensity Ratio Based Algorithm for Determination of Isotopic Clusters and Monoisotopic Masses of Polypeptides from High-Resolution Mass Spectrometric Data

Analytical Chemistry ◽

10.1021/ac800913b ◽

2008 ◽

Vol 80 (19) ◽

pp. 7294-7303 ◽

Cited By ~ 25

Author(s):

Kunsoo Park ◽

Joo Young Yoon ◽

Sunho Lee ◽

Eunok Paek ◽

Heejin Park ◽

...

Keyword(s):

High Resolution ◽

Intensity Ratio ◽

Mass Spectrometric ◽

Isotopic Peak ◽

Peak Intensity Ratio ◽

Mass Spectrometric Data ◽

Spectrometric Data ◽

Peak Intensity ◽

Resolution Mass

Download Full-text

Determination of the Mixing Thermodynamic Properties of Liquid Ternary Alloys by Fitting the Knudsen Effusion Mass Spectrometric Data to the Redlich-Kister-Muggianu Sub-Regular Solution Model

The Open Thermodynamics Journal ◽

10.2174/1874396x01307010021 ◽

2013 ◽

Vol 7 (1) ◽

pp. 21-34 ◽

Cited By ~ 1

Author(s):

L. Bencze

Keyword(s):

Thermodynamic Properties ◽

Regular Solution ◽

Regular Solution Model ◽

Mass Spectrometric ◽

Ternary Alloys ◽

Solution Model ◽

Knudsen Effusion ◽

Mass Spectrometric Data ◽

Spectrometric Data

Download Full-text

Determination of monoisotopic masses of chimera spectra from high-resolution mass spectrometric data by use of isotopic peak intensity ratio modeling

Rapid Communications in Mass Spectrometry ◽

10.1002/rcm.6293 ◽

2012 ◽

Vol 26 (16) ◽

pp. 1875-1886 ◽

Cited By ~ 9

Author(s):

Ming Niu ◽

Xinli Mao ◽

Wantao Ying ◽

Weijie Qin ◽

Yangjun Zhang ◽

...

Keyword(s):

High Resolution ◽

Intensity Ratio ◽

Mass Spectrometric ◽

Isotopic Peak ◽

Peak Intensity Ratio ◽

Mass Spectrometric Data ◽

Spectrometric Data ◽

Peak Intensity ◽

Resolution Mass

Download Full-text

Application of Factor Analysis in Imaging Mass Spectrometric Data Analysis

Chinese Journal of Analytical Chemistry ◽

10.1016/s1872-2040(14)60757-x ◽

2014 ◽

Vol 42 (8) ◽

pp. 1099-1103 ◽

Cited By ~ 6

Author(s):

Yi CHEN ◽

Fei TANG ◽

Tie-Gang LI ◽

Jiu-Ming HE ◽

Zeper ABLIZ ◽

...

Keyword(s):

Factor Analysis ◽

Data Analysis ◽

Mass Spectrometric ◽

Mass Spectrometric Data ◽

Spectrometric Data

Download Full-text

MS2DB: A Mass-Based Hashing Algorithm for the Identification of Disulfide Linkage Patterns in Protein Utilizing Mass Spectrometric Data

Twentieth IEEE International Symposium on Computer-Based Medical Systems (CBMS'07) ◽

10.1109/cbms.2007.72 ◽

2007 ◽

Author(s):

Timothy Lee ◽

Rahul Singh ◽

Ten-Yang Yen ◽

Bruce Macher

Keyword(s):

Mass Spectrometric ◽

Disulfide Linkage ◽

Mass Spectrometric Data ◽

Spectrometric Data ◽

Hashing Algorithm

Download Full-text

Quantitation and Mass Spectrometric Data for Drugs and Isotopically Labeled Analogs

Journal of the American Society for Mass Spectrometry ◽

10.1007/s13361-010-0062-z ◽

2011 ◽

Vol 22 (4) ◽

pp. 795-795

Author(s):

Michael L. Gross

Keyword(s):

Mass Spectrometric ◽

Mass Spectrometric Data ◽

Spectrometric Data

Download Full-text