-
1
-
-
33645510278
-
Isotopic pattern and accurate mass determination in urine drug screening by liquid chromatography/time-of-flight mass spectrometry
-
S. Ojanpera, A. Pelander, M. Pelzing, I. Krebs, E. Vuori, I. Ojanpera,. Isotopic pattern and accurate mass determination in urine drug screening by liquid chromatography/time-of-flight mass spectrometry. Rapid Commun. Mass Spectrom. 2006, 20, 1161.
-
(2006)
Rapid Commun. Mass Spectrom.
, vol.20
, pp. 1161
-
-
Ojanpera, S.1
Pelander, A.2
Pelzing, M.3
Krebs, I.4
Vuori, E.5
Ojanpera, I.6
-
2
-
-
77955897603
-
Use of high-resolution accurate mass spectrometry to detect reported and previously unreported cannabinomimetics in herbal high products
-
S. Hudson, J. Ramsey, L. King, S. Timbers, S. Maynard, P. I. Dargan, D. M. Wood,. Use of high-resolution accurate mass spectrometry to detect reported and previously unreported cannabinomimetics in herbal high products. J. Anal. Toxicol. 2010, 34, 252.
-
(2010)
J. Anal. Toxicol.
, vol.34
, pp. 252
-
-
Hudson, S.1
Ramsey, J.2
King, L.3
Timbers, S.4
Maynard, S.5
Dargan, P.I.6
Wood, D.M.7
-
3
-
-
84948991017
-
Existence and use of accurate mass databases and elemental composition tools for target and non-target analyses
-
I. Ferrer, E. M. Thurman,. Existence and use of accurate mass databases and elemental composition tools for target and non-target analyses. Chem. Anal. 2009, 173, 57.
-
(2009)
Chem. Anal.
, vol.173
, pp. 57
-
-
Ferrer, I.1
Thurman, E.M.2
-
5
-
-
34247163207
-
Seven Golden Rules for heuristic filtering of molecular formulas obtained by accurate mass spectrometry
-
T. Kind, O. Fiehn,. Seven Golden Rules for heuristic filtering of molecular formulas obtained by accurate mass spectrometry. BMC Bioinformatics 2007, 8, 105.
-
(2007)
BMC Bioinformatics
, vol.8
, pp. 105
-
-
Kind, T.1
Fiehn, O.2
-
6
-
-
84990642354
-
High resolution accurate mass measurement of product ions formed in an electrospray source on a sector instrument
-
A. M. Starrett, G. C. DiDonato,. High resolution accurate mass measurement of product ions formed in an electrospray source on a sector instrument. Rapid Commun. Mass Spectrom. 1993, 7, 12.
-
(1993)
Rapid Commun. Mass Spectrom.
, vol.7
, pp. 12
-
-
Starrett, A.M.1
Didonato, G.C.2
-
7
-
-
33646043166
-
Truly exact mass: Elemental composition can be determined uniquely from molecular mass measurement at ~0.1 mDa accuracy for molecules up to ~500 da
-
S. Kim, R. P. Rodgers, A. G. Marshall,. Truly exact mass: Elemental composition can be determined uniquely from molecular mass measurement at ~0.1 mDa accuracy for molecules up to ~500 Da. Int. J. Mass Spectrom. 2006, 251, 260.
-
(2006)
Int. J. Mass Spectrom.
, vol.251
, pp. 260
-
-
Kim, S.1
Rodgers, R.P.2
Marshall, A.G.3
-
8
-
-
2742576125
-
Accuracy requirements for peptide characterization by monoisotopic molecular mass measurements
-
R. A. Zubarev, P. Hakansson, B. Sundqvist,. Accuracy requirements for peptide characterization by monoisotopic molecular mass measurements. Anal. Chem. 1996, 68, 4060.
-
(1996)
Anal. Chem.
, vol.68
, pp. 4060
-
-
Zubarev, R.A.1
Hakansson, P.2
Sundqvist, B.3
-
9
-
-
33646754900
-
Metabolomic database annotations via query of elemental compositions: Mass accuracy is insufficient even at less than 1 ppm
-
T. Kind, O. Fiehn,. Metabolomic database annotations via query of elemental compositions: mass accuracy is insufficient even at less than 1 ppm. BMC Bioinformatics 2006, 7, 234.
-
(2006)
BMC Bioinformatics
, vol.7
, pp. 234
-
-
Kind, T.1
Fiehn, O.2
-
10
-
-
28144431638
-
Method for the elucidation of the elemental composition of low molecular mass chemicals using exact masses of product ions and neutral losses: Application to environmental chemicals measured by liquid chromatography with hybrid quadrupole/time-of-flight mass spectrometry
-
S. Suzuki, T. Ishii, A. Yasuhara, S. Sakai,. Method for the elucidation of the elemental composition of low molecular mass chemicals using exact masses of product ions and neutral losses: Application to environmental chemicals measured by liquid chromatography with hybrid quadrupole/time-of-flight mass spectrometry. Rapid Commun. Mass Spectrom. 2005, 19, 3500.
-
(2005)
Rapid Commun. Mass Spectrom.
, vol.19
, pp. 3500
-
-
Suzuki, S.1
Ishii, T.2
Yasuhara, A.3
Sakai, S.4
-
11
-
-
80051945323
-
n
-
n. Bioinformatics 2011, 27, 2376.
-
(2011)
Bioinformatics
, vol.27
, pp. 2376
-
-
Rojas-Cherto, M.1
Kasper, P.T.2
Willighagen, E.L.3
Vreeken, R.J.4
Hankemeier, T.5
Reijmers, T.H.6
-
12
-
-
85153979360
-
Ion compositions determined with increasing simplicity
-
A. H. Grange, G. W. Sovocool,. Ion compositions determined with increasing simplicity. Chem. Anal. 2009, 173, 35.
-
(2009)
Chem. Anal.
, vol.173
, pp. 35
-
-
Grange, A.H.1
Sovocool, G.W.2
-
13
-
-
77950974821
-
Determination of elemental compositions by gas chromatography/time-of- flight mass spectrometry using chemical and electron ionization
-
S. Abate, Y. G. Ahn, T. Kind, T. R. I. Cataldi, O. Fiehn,. Determination of elemental compositions by gas chromatography/time-of-flight mass spectrometry using chemical and electron ionization. Rapid Commun. Mass Spectrom. 2010, 24, 1172.
-
(2010)
Rapid Commun. Mass Spectrom.
, vol.24
, pp. 1172
-
-
Abate, S.1
Ahn, Y.G.2
Kind, T.3
Cataldi, T.R.I.4
Fiehn, O.5
-
14
-
-
84986977054
-
Enhanced selectivity in determining elemental composition: Concerted precise mass and isotope pattern moment analysis
-
K. F. Blom,. Enhanced selectivity in determining elemental composition: concerted precise mass and isotope pattern moment analysis. Org. Mass Spectrom. 1988, 23, 783.
-
(1988)
Org. Mass Spectrom.
, vol.23
, pp. 783
-
-
Blom, K.F.1
-
15
-
-
31144473887
-
Determination of ion and neutral loss compositions and deconvolution of product ion mass spectra using an orthogonal acceleration time-of-flight mass spectrometer and an ion correlation program
-
A. H. Grange, M. C. Zumwalt, G. W. Sovocool,. Determination of ion and neutral loss compositions and deconvolution of product ion mass spectra using an orthogonal acceleration time-of-flight mass spectrometer and an ion correlation program. Rapid Commun. Mass Spectrom. 2006, 20, 89.
-
(2006)
Rapid Commun. Mass Spectrom.
, vol.20
, pp. 89
-
-
Grange, A.H.1
Zumwalt, M.C.2
Sovocool, G.W.3
-
16
-
-
34347229105
-
Determination of the elemental composition of trace analytes in complex matrices using exact masses of product ions and corresponding neutral losses
-
A. Kaufmann,. Determination of the elemental composition of trace analytes in complex matrices using exact masses of product ions and corresponding neutral losses. Rapid Commun. Mass Spectrom. 2007, 21, 2003.
-
(2007)
Rapid Commun. Mass Spectrom.
, vol.21
, pp. 2003
-
-
Kaufmann, A.1
-
17
-
-
79959622504
-
MS/MS data improves automated determination of molecular formulas by mass spectrometry
-
M. Meringer, S. Reinker, J. Zhang, A. Muller,. MS/MS data improves automated determination of molecular formulas by mass spectrometry. MATCH 2011, 65, 259.
-
(2011)
MATCH
, vol.65
, pp. 259
-
-
Meringer, M.1
Reinker, S.2
Zhang, J.3
Muller, A.4
-
18
-
-
77954195244
-
Evaluation of accurate mass and relative isotopic abundance measurements in the LTQ-Orbitrap mass spectrometer for further metabolomics database building
-
Y. Xu, J. F. Heilier, G. Madalinski, E. Genin, E. Ezan, J. C. Tabet, C. Junot,. Evaluation of accurate mass and relative isotopic abundance measurements in the LTQ-Orbitrap mass spectrometer for further metabolomics database building. Anal. Chem. 2010, 82, 5490.
-
(2010)
Anal. Chem.
, vol.82
, pp. 5490
-
-
Xu, Y.1
Heilier, J.F.2
Madalinski, G.3
Genin, E.4
Ezan, E.5
Tabet, J.C.6
Junot, C.7
-
19
-
-
79956129310
-
Characterization of isotopic abundance measurements in high resolution FT-ICR and orbitrap mass spectra for improved confidence of metabolite identification
-
R. J. M. Weber, A. D. Southam, U. Sommer, M. R. Viant,. Characterization of isotopic abundance measurements in high resolution FT-ICR and orbitrap mass spectra for improved confidence of metabolite identification. Anal. Chem. 2011, 83, 3737.
-
(2011)
Anal. Chem.
, vol.83
, pp. 3737
-
-
Weber, R.J.M.1
Southam, A.D.2
Sommer, U.3
Viant, M.R.4
-
20
-
-
77956254902
-
The concept of spectral accuracy for MS
-
Y. Wang, M. Gu,. The concept of spectral accuracy for MS. Anal. Chem. 2010, 82, 7055.
-
(2010)
Anal. Chem.
, vol.82
, pp. 7055
-
-
Wang, Y.1
Gu, M.2
-
21
-
-
70349775820
-
Spectral accuracy of molecular ions in an LTQ/Orbitrap mass spectrometer and implications for elemental composition determination
-
J. C. L. Erve, M. Gu, Y. Wang, W. DeMaio, R. E. Talaat,. Spectral accuracy of molecular ions in an LTQ/Orbitrap mass spectrometer and implications for elemental composition determination. J. Am. Soc. Mass Spectrom. 2009, 20, 2058.
-
(2009)
J. Am. Soc. Mass Spectrom.
, vol.20
, pp. 2058
-
-
Erve, J.C.L.1
Gu, M.2
Wang, Y.3
Demaio, W.4
Talaat, R.E.5
-
22
-
-
58349086772
-
SIRIUS: Decomposing isotope patterns for metabolite identification
-
S. Böcker, M. C. Letzel, Z. Liptak, A. Pervukhin,. SIRIUS: decomposing isotope patterns for metabolite identification. Bioinformatics 2009, 25, 218.
-
(2009)
Bioinformatics
, vol.25
, pp. 218
-
-
Böcker, S.1
Letzel, M.C.2
Liptak, Z.3
Pervukhin, A.4
-
23
-
-
85153982600
-
Enhancing mass spectral formula determination by heuristic rules
-
M. Gu,. Enhancing mass spectral formula determination by heuristic rules. LCGC North Am. 2010, 42.
-
(2010)
LCGC North Am.
, pp. 42
-
-
Gu, M.1
-
24
-
-
12944266920
-
Use of quadrupole time-of-flight mass spectrometry in the elucidation of unknown compounds present in environmental water
-
M. Ibanez, J. V. Sancho, O. J. Pozo, W. Niessen, F. Hernandez,. Use of quadrupole time-of-flight mass spectrometry in the elucidation of unknown compounds present in environmental water. Rapid Commun. Mass Spectrom. 2005, 19, 169.
-
(2005)
Rapid Commun. Mass Spectrom.
, vol.19
, pp. 169
-
-
Ibanez, M.1
Sancho, J.V.2
Pozo, O.J.3
Niessen, W.4
Hernandez, F.5
-
25
-
-
42649088073
-
Performance optimisation of a new-generation orthogonal-acceleration quadrupole-time-of-flight mass spectrometer
-
T. Bristow, J. Constantine, M. Harrison, F. Cavoit,. Performance optimisation of a new-generation orthogonal-acceleration quadrupole-time-of- flight mass spectrometer. Rapid Commun. Mass Spectrom. 2008, 22, 1213.
-
(2008)
Rapid Commun. Mass Spectrom.
, vol.22
, pp. 1213
-
-
Bristow, T.1
Constantine, J.2
Harrison, M.3
Cavoit, F.4
-
26
-
-
0029050135
-
Potent inhibition of yeast-expressed CYP2D6 by dihydroquinidine, quinidine, and its metabolites
-
M. S. Ching, C. L. Blake, H. Ghabrial, S. W. Ellis, M. S. Lennard, G. T. Tucker, R. A. Smallwood,. Potent inhibition of yeast-expressed CYP2D6 by dihydroquinidine, quinidine, and its metabolites. Biochem. Pharmacol. 1995, 50, 833.
-
(1995)
Biochem. Pharmacol.
, vol.50
, pp. 833
-
-
Ching, M.S.1
Blake, C.L.2
Ghabrial, H.3
Ellis, S.W.4
Lennard, M.S.5
Tucker, G.T.6
Smallwood, R.A.7
-
27
-
-
0023942964
-
Plasma concentrations of quinidine, its major metabolites, and dihydroquinidine in patients with torsades de pointes
-
K. A. Thompson, J. J. Murray, I. A. Blair, R. L. Woosley, D. M. Roden,. Plasma concentrations of quinidine, its major metabolites, and dihydroquinidine in patients with torsades de pointes. Clin. Pharmacol. Ther. 1988, 43, 636.
-
(1988)
Clin. Pharmacol. Ther.
, vol.43
, pp. 636
-
-
Thompson, K.A.1
Murray, J.J.2
Blair, I.A.3
Woosley, R.L.4
Roden, D.M.5
-
28
-
-
55949091420
-
Electrochemical oxidation of troglitazone: Identification and characterization of the major reactive metabolite in liver microsomes
-
K. G. Madsen, G. Groenberg, C. Skonberg, U. Jurva, S. H. Hansen, J. Olsen,. Electrochemical oxidation of troglitazone: Identification and characterization of the major reactive metabolite in liver microsomes. Chem. Res. Toxicol. 2008, 21, 2035.
-
(2008)
Chem. Res. Toxicol.
, vol.21
, pp. 2035
-
-
Madsen, K.G.1
Groenberg, G.2
Skonberg, C.3
Jurva, U.4
Hansen, S.H.5
Olsen, J.6
-
29
-
-
2442707819
-
Metabolic activation of troglitazone: Identification of a reactive metabolite and mechanisms involved
-
K. He, R. E. Talaat, W. F. Pool, M. D. Reily, J. E. Reed, A. J. Bridges, T. F. Woolf,. Metabolic activation of troglitazone: Identification of a reactive metabolite and mechanisms involved. Drug Metab. Dispos. 2004, 32, 639.
-
(2004)
Drug Metab. Dispos.
, vol.32
, pp. 639
-
-
He, K.1
Talaat, R.E.2
Pool, W.F.3
Reily, M.D.4
Reed, J.E.5
Bridges, A.J.6
Woolf, T.F.7
|