-
1
-
-
33947303763
-
Identification of an unknown compounds in a catalog
-
L. R. Crawford, J. D. Morrison,. Identification of an unknown compounds in a catalog. Anal. Chem. 1968, 40, 1464.
-
(1968)
Anal. Chem.
, vol.40
, pp. 1464
-
-
Crawford, L.R.1
Morrison, J.D.2
-
2
-
-
4243454061
-
Matching of mass spectra when peak height is encoded to one bit
-
S. L. Grotch,. Matching of mass spectra when peak height is encoded to one bit. Anal. Chem. 1970, 42, 1214.
-
(1970)
Anal. Chem.
, vol.42
, pp. 1214
-
-
Grotch, S.L.1
-
3
-
-
0344770077
-
Compound identification by computer matching of low resolution mass spectra
-
B. A. Knock, I. C. Smith, D. E. Wright, R. G. Ridley,. Compound identification by computer matching of low resolution mass spectra. Anal. Chem. 1970, 42, 1516.
-
(1970)
Anal. Chem.
, vol.42
, pp. 1516
-
-
Knock, B.A.1
Smith, I.C.2
Wright, D.E.3
Ridley, R.G.4
-
4
-
-
84985478030
-
Probability based matching of mass spectra. Rapid identification of specific compounds in mixtures
-
F. W. McLafferty, R. H. Hertel, R. D. Villwock,. Probability based matching of mass spectra. Rapid identification of specific compounds in mixtures. Org. Mass Spectrom. 1974, 9, 690.
-
(1974)
Org. Mass Spectrom.
, vol.9
, pp. 690
-
-
McLafferty, F.W.1
Hertel, R.H.2
Villwock, R.D.3
-
5
-
-
84987031548
-
Multidimensional computer evaluation of mass spectra
-
R. Neudert, W. Bremser, H. Wagner,. Multidimensional computer evaluation of mass spectra. Org. Mass Spectrom. 1987, 22, 321.
-
(1987)
Org. Mass Spectrom.
, vol.22
, pp. 321
-
-
Neudert, R.1
Bremser, W.2
Wagner, H.3
-
6
-
-
0000881748
-
Optimization and testing of mass spectral library search algorithms for compound identification
-
S. E. Stein, D. R. Scott,. Optimization and testing of mass spectral library search algorithms for compound identification. J. Am. Soc. Mass Spectrom. 1994, 5, 859.
-
(1994)
J. Am. Soc. Mass Spectrom.
, vol.5
, pp. 859
-
-
Stein, S.E.1
Scott, D.R.2
-
7
-
-
0000212341
-
Statistical occurrence of mass and abundance values in mass spectra
-
G. M. Pesyna, F. W. McLafferty, R. Venkataraghavan, H. E. Dayringer,. Statistical occurrence of mass and abundance values in mass spectra. Anal. Chem. 1975, 47, 1161.
-
(1975)
Anal. Chem.
, vol.47
, pp. 1161
-
-
Pesyna, G.M.1
McLafferty, F.W.2
Venkataraghavan, R.3
Dayringer, H.E.4
-
8
-
-
0016985203
-
Probability based matching system using a large collection of reference mass spectra
-
G. M. Pesyna, R. Venkataraghavan, H. E. Dayringer, F. W. McLafferty,. Probability based matching system using a large collection of reference mass spectra. Anal. Chem. 1976, 48, 1362.
-
(1976)
Anal. Chem.
, vol.48
, pp. 1362
-
-
Pesyna, G.M.1
Venkataraghavan, R.2
Dayringer, H.E.3
McLafferty, F.W.4
-
9
-
-
4243416604
-
Weighted file ordering for fast matching of mass spectra against a comprehensive data base
-
I. K. Mun, D. R. Bartholomew, D. B. Stauffer, F. W. McLafferty,. Weighted file ordering for fast matching of mass spectra against a comprehensive data base. Anal. Chem. 1981, 53, 1938.
-
(1981)
Anal. Chem.
, vol.53
, pp. 1938
-
-
Mun, I.K.1
Bartholomew, D.R.2
Stauffer, D.B.3
McLafferty, F.W.4
-
10
-
-
0022045067
-
Reliability ranking and scaling improvements to the probability based matching system for unknown mass spectra
-
B. L. Atwater, D. B. Stauffer, F. W. McLafferty, D. W. Peterson,. Reliability ranking and scaling improvements to the probability based matching system for unknown mass spectra. Anal. Chem. 1985, 57, 899.
-
(1985)
Anal. Chem.
, vol.57
, pp. 899
-
-
Atwater, B.L.1
Stauffer, D.B.2
McLafferty, F.W.3
Peterson, D.W.4
-
11
-
-
0039702307
-
Adding forward searching capabilities to a reverse search algorithm for unknown mass spectra
-
D. B. Stauffer, F. W. McLafferty, R. D. Ellis, D. W. Peterson,. Adding forward searching capabilities to a reverse search algorithm for unknown mass spectra. Anal. Chem. 1985, 57, 771.
-
(1985)
Anal. Chem.
, vol.57
, pp. 771
-
-
Stauffer, D.B.1
McLafferty, F.W.2
Ellis, R.D.3
Peterson, D.W.4
-
12
-
-
33845377921
-
Probability-based-matching algorithm with forward searching capabilities for matching unknown mass spectra of mixtures
-
D. B. Stauffer, F. W. McLafferty, R. D. Ellis, D. W. Peterson,. Probability-based-matching algorithm with forward searching capabilities for matching unknown mass spectra of mixtures. Anal. Chem. 1985, 57, 1056.
-
(1985)
Anal. Chem.
, vol.57
, pp. 1056
-
-
Stauffer, D.B.1
McLafferty, F.W.2
Ellis, R.D.3
Peterson, D.W.4
-
13
-
-
84855678029
-
-
National Institute of Standards and Technology: Gaithersburg.
-
NIST MS Search User Guide. National Institute of Standards and Technology: Gaithersburg, 2008.
-
(2008)
NIST MS Search User Guide
-
-
-
14
-
-
77149153074
-
-
National Institute of Standards and Technology: Gaithersburg.
-
P. D'Arcy, G. Mallard,. AMDIS-User Guide. National Institute of Standards and Technology: Gaithersburg, 2004.
-
(2004)
AMDIS - User Guide
-
-
D'Arcy, P.1
Mallard, G.2
-
16
-
-
0031604180
-
Comparison of algorithms and databases for matching unknown mass spectra
-
F. W. McLafferty, M. Y. Zhang, D. B. Stauffer, S. Y. Loh,. Comparison of algorithms and databases for matching unknown mass spectra. J. Am. Soc. Mass Spectrom. 1998, 9, 92.
-
(1998)
J. Am. Soc. Mass Spectrom.
, vol.9
, pp. 92
-
-
McLafferty, F.W.1
Zhang, M.Y.2
Stauffer, D.B.3
Loh, S.Y.4
-
17
-
-
84879155741
-
Comparative analysis of mass spectral matching-based compound identification in gas chromatography-mass spectrometry
-
I. Koo, S. Kim, X. Zhang,. Comparative analysis of mass spectral matching-based compound identification in gas chromatography-mass spectrometry. J. Chromatogr. A 2013, 1298, 132.
-
(2013)
J. Chromatogr. A
, vol.1298
, pp. 132
-
-
Koo, I.1
Kim, S.2
Zhang, X.3
-
19
-
-
79960378447
-
Wavelet- and fourier-transform-based spectrum similarity approaches to compound identification in gas chromatography/mass spectrometry
-
I. Koo, X. Zhang, S. Kim,. Wavelet- and fourier-transform-based spectrum similarity approaches to compound identification in gas chromatography/mass spectrometry. Anal. Chem. 2011, 83, 5631.
-
(2011)
Anal. Chem.
, vol.83
, pp. 5631
-
-
Koo, I.1
Zhang, X.2
Kim, S.3
-
20
-
-
84864590019
-
Compound identification using partial and semipartial correlations for gas chromatography-mass spectrometry data
-
S. Kim, I. Koo, J. Jeong, S. Wu, X. Shi, X. Zhang,. Compound identification using partial and semipartial correlations for gas chromatography-mass spectrometry data. Anal. Chem. 2012, 84, 6477.
-
(2012)
Anal. Chem.
, vol.84
, pp. 6477
-
-
Kim, S.1
Koo, I.2
Jeong, J.3
Wu, S.4
Shi, X.5
Zhang, X.6
-
21
-
-
84893404360
-
An effective two-stage spectral library search approach based on lifting wavelet decomposition for complicated mass spectra
-
C. Li, J. Han, Q. Huang, B. Li, Z. Zhang, C. Guo,. An effective two-stage spectral library search approach based on lifting wavelet decomposition for complicated mass spectra. Chemom. Intell. Lab. Syst. 2014, 132, 75.
-
(2014)
Chemom. Intell. Lab. Syst.
, vol.132
, pp. 75
-
-
Li, C.1
Han, J.2
Huang, Q.3
Li, B.4
Zhang, Z.5
Guo, C.6
-
22
-
-
84859746023
-
A method of finding optimal weight factors for compound identification in gas chromatography-mass spectrometry
-
S. Kim, I. Koo, X. Wei, X. Zhang,. A method of finding optimal weight factors for compound identification in gas chromatography-mass spectrometry. Bioinformatics 2012, 28, 1158.
-
(2012)
Bioinformatics
, vol.28
, pp. 1158
-
-
Kim, S.1
Koo, I.2
Wei, X.3
Zhang, X.4
-
23
-
-
70549099935
-
Extraction of pure components from overlapped signals in gas chromatography-mass spectrometry (GC-MS)
-
V. A. LikiCyrillic small letter es,. Extraction of pure components from overlapped signals in gas chromatography-mass spectrometry (GC-MS). BioData Min. 2009, 2, 1.
-
(2009)
BioData Min.
, vol.2
, pp. 1
-
-
Likicyrillic Small Letter Es, V.A.1
-
24
-
-
34250836437
-
Estimation of Kovats retention indices using group contributions
-
S. E. Stein, V. I. Babushok, R. L. Brown, P. J. Linstrom,. Estimation of Kovats retention indices using group contributions. J. Chem. Inf. Model. 2007, 47, 975.
-
(2007)
J. Chem. Inf. Model.
, vol.47
, pp. 975
-
-
Stein, S.E.1
Babushok, V.I.2
Brown, R.L.3
Linstrom, P.J.4
-
26
-
-
0037542055
-
Unravelling the composition of very complex samples by comprehensive gas chromatography coupled to time-of-flight mass spectrometry: Cigarette smoke
-
J. Dalluge, L. L. P. van Stee, X. Xu, J. Williams, J. Beens, R. J. J. Vreuls, U. A. T. Brinkman,. Unravelling the composition of very complex samples by comprehensive gas chromatography coupled to time-of-flight mass spectrometry: cigarette smoke. J. Chromatogr. A 2002, 974, 169.
-
(2002)
J. Chromatogr. A
, vol.974
, pp. 169
-
-
Dalluge, J.1
Van Stee, L.L.P.2
Xu, X.3
Williams, J.4
Beens, J.5
Vreuls, R.J.J.6
Brinkman, U.A.T.7
-
27
-
-
3943091820
-
The essential oil of Pistacia vera L. at various temperatures of direct thermal desorption using comprehensive gas chromatography coupled with time-of-flight mass spectrometry
-
M. Z. Ozel, F. Gogus, J. F. Hamilton, A. C. Lewis,. The essential oil of Pistacia vera L. at various temperatures of direct thermal desorption using comprehensive gas chromatography coupled with time-of-flight mass spectrometry. Chromatographia 2004, 60, 79.
-
(2004)
Chromatographia
, vol.60
, pp. 79
-
-
Ozel, M.Z.1
Gogus, F.2
Hamilton, J.F.3
Lewis, A.C.4
-
28
-
-
60549109691
-
Development and validation of a gas chromatography/mass spectrometry method for the metabolic profiling of human colon tissue
-
M. Mal, P. K. Koh, P. Y. Cheah, E. C. Chan,. Development and validation of a gas chromatography/mass spectrometry method for the metabolic profiling of human colon tissue. Rapid Commun. Mass Spectrom. 2009, 23, 487.
-
(2009)
Rapid Commun. Mass Spectrom.
, vol.23
, pp. 487
-
-
Mal, M.1
Koh, P.K.2
Cheah, P.Y.3
Chan, E.C.4
-
29
-
-
33646023117
-
An introduction to ROC analysis
-
T. Fawcett,. An introduction to ROC analysis. Pattern Recognit. Lett. 2006, 27, 861.
-
(2006)
Pattern Recognit. Lett.
, vol.27
, pp. 861
-
-
Fawcett, T.1
-
30
-
-
65649115837
-
On the inter-instrument and the inter-laboratory transferability of a tandem mass spectral reference library: 2. Optimization and characterization of the search algorithm
-
H. Oberacher, M. Pavlic, K. Libiseller, B. Schubert, M. Sulyok, R. Schuhmacher, E. Csaszar, H. C. Kofeler,. On the inter-instrument and the inter-laboratory transferability of a tandem mass spectral reference library: 2. Optimization and characterization of the search algorithm. J. Mass Spectrom. 2009, 44, 494.
-
(2009)
J. Mass Spectrom.
, vol.44
, pp. 494
-
-
Oberacher, H.1
Pavlic, M.2
Libiseller, K.3
Schubert, B.4
Sulyok, M.5
Schuhmacher, R.6
Csaszar, E.7
Kofeler, H.C.8
-
31
-
-
79958140993
-
Quality evaluation of tandem mass spectral libraries
-
H. Oberacher, W. Weinmann, S. Dresen,. Quality evaluation of tandem mass spectral libraries. Anal. Bioanal. Chem. 2011, 400, 2641.
-
(2011)
Anal. Bioanal. Chem.
, vol.400
, pp. 2641
-
-
Oberacher, H.1
Weinmann, W.2
Dresen, S.3
-
32
-
-
84857229278
-
Towards a full reference library of MSn spectra II: A perspective from the library of pesticide spectra extracted from the literature/internet
-
B. L. Milman, I. K. Zhurkovich,. Towards a full reference library of MSn spectra II: a perspective from the library of pesticide spectra extracted from the literature/internet. Rapid Commun. Mass Spectrom. 2011, 25, 3697.
-
(2011)
Rapid Commun. Mass Spectrom.
, vol.25
, pp. 3697
-
-
Milman, B.L.1
Zhurkovich, I.K.2
-
33
-
-
84872800974
-
ROC curve equivalence using the Kolmogorov-Smirnov test
-
A. P. Bradley,. ROC curve equivalence using the Kolmogorov-Smirnov test. Pattern Recognit. Lett. 2013, 34, 470.
-
(2013)
Pattern Recognit. Lett.
, vol.34
, pp. 470
-
-
Bradley, A.P.1
|