Format
Sort by
Items per page

Send to

Choose Destination

Links from PubMed

Items: 1 to 20 of 73

1.

Mass spectral similarity for untargeted metabolomics data analysis of complex mixtures.

Garg N, Kapono C, Lim YW, Koyama N, Vermeij MJ, Conrad D, Rohwer F, Dorrestein PC.

Int J Mass Spectrom. 2015 Feb 1;377:719-717.

2.
3.

Comparison of peak-picking workflows for untargeted liquid chromatography/high-resolution mass spectrometry metabolomics data analysis.

Rafiei A, Sleno L.

Rapid Commun Mass Spectrom. 2015 Jan 15;29(1):119-27. doi: 10.1002/rcm.7094.

PMID:
25462372
4.

Autonomous metabolomics for rapid metabolite identification in global profiling.

Benton HP, Ivanisevic J, Mahieu NG, Kurczy ME, Johnson CH, Franco L, Rinehart D, Valentine E, Gowda H, Ubhi BK, Tautenhahn R, Gieschen A, Fields MW, Patti GJ, Siuzdak G.

Anal Chem. 2015 Jan 20;87(2):884-91. doi: 10.1021/ac5025649. Epub 2014 Dec 26.

5.

Urinary antihypertensive drug metabolite screening using molecular networking coupled to high-resolution mass spectrometry fragmentation.

van der Hooft JJ, Padmanabhan S, Burgess KE, Barrett MP.

Metabolomics. 2016;12:125. Epub 2016 Jul 5.

6.

Secondary Metabolic Pathway-Targeted Metabolomics.

Vizcaino MI, Crawford JM.

Methods Mol Biol. 2016;1401:175-95. doi: 10.1007/978-1-4939-3375-4_12.

7.

Optimized experimental workflow for tandem mass spectrometry molecular networking in metabolomics.

Olivon F, Roussi F, Litaudon M, Touboul D.

Anal Bioanal Chem. 2017 Sep;409(24):5767-5778. doi: 10.1007/s00216-017-0523-3. Epub 2017 Jul 31.

PMID:
28762069
8.

Metabolite identification using automated comparison of high-resolution multistage mass spectral trees.

Rojas-Cherto M, Peironcely JE, Kasper PT, van der Hooft JJ, de Vos RC, Vreeken R, Hankemeier T, Reijmers T.

Anal Chem. 2012 Jul 3;84(13):5524-34. doi: 10.1021/ac2034216. Epub 2012 Jun 22.

PMID:
22612383
9.

The application of high-resolution mass spectrometry-based data-mining tools in tandem to metabolite profiling of a triple drug combination in humans.

Xing J, Zang M, Zhang H, Zhu M.

Anal Chim Acta. 2015 Oct 15;897:34-44. doi: 10.1016/j.aca.2015.09.034. Epub 2015 Oct 13.

PMID:
26515003
10.

IntelliMS: a platform to efficiently manage and visualize tandem mass spectral data.

Kwon MS, Lee HJ, Jeong SK, Lee EY, Cho SY, Paik YK.

Proteomics. 2008 Dec;8(23-24):4910-3. doi: 10.1002/pmic.200800296.

PMID:
19003859
11.

ProMEX: a mass spectral reference database for proteins and protein phosphorylation sites.

Hummel J, Niemann M, Wienkoop S, Schulze W, Steinhauser D, Selbig J, Walther D, Weckwerth W.

BMC Bioinformatics. 2007 Jun 23;8:216.

12.

CHOMPER: a bioinformatic tool for rapid validation of tandem mass spectrometry search results associated with high-throughput proteomic strategies.

Eddes JS, Kapp EA, Frecklington DF, Connolly LM, Layton MJ, Moritz RL, Simpson RJ.

Proteomics. 2002 Sep;2(9):1097-103.

PMID:
12362328
13.

Database searching using mass spectrometry data.

Yates JR 3rd.

Electrophoresis. 1998 May;19(6):893-900. Review.

PMID:
9638935
14.

Credentialing features: a platform to benchmark and optimize untargeted metabolomic methods.

Mahieu NG, Huang X, Chen YJ, Patti GJ.

Anal Chem. 2014 Oct 7;86(19):9583-9. doi: 10.1021/ac503092d. Epub 2014 Sep 22.

15.

Characterising and correcting batch variation in an automated direct infusion mass spectrometry (DIMS) metabolomics workflow.

Kirwan JA, Broadhurst DI, Davidson RL, Viant MR.

Anal Bioanal Chem. 2013 Jun;405(15):5147-57. doi: 10.1007/s00216-013-6856-7. Epub 2013 Mar 1. Erratum in: Anal Bioanal Chem. 2014 Sep;406(24):6075-6.

PMID:
23455646
16.

RIKEN tandem mass spectral database (ReSpect) for phytochemicals: a plant-specific MS/MS-based data resource and database.

Sawada Y, Nakabayashi R, Yamada Y, Suzuki M, Sato M, Sakata A, Akiyama K, Sakurai T, Matsuda F, Aoki T, Hirai MY, Saito K.

Phytochemistry. 2012 Oct;82:38-45. doi: 10.1016/j.phytochem.2012.07.007. Epub 2012 Aug 4.

17.

SVM-based spectral matching for metabolite identification.

Zhou B, Cheema AK, Ressom HW.

Conf Proc IEEE Eng Med Biol Soc. 2010;2010:756-9. doi: 10.1109/IEMBS.2010.5626337.

PMID:
21095903
18.

Informatics for protein identification by mass spectrometry.

Johnson RS, Davis MT, Taylor JA, Patterson SD.

Methods. 2005 Mar;35(3):223-36. Epub 2005 Jan 13. Review.

PMID:
15722219
19.

Implementation of a semi-automated strategy for the annotation of metabolomic fingerprints generated by liquid chromatography-high resolution mass spectrometry from biological samples.

Courant F, Royer AL, Chéreau S, Morvan ML, Monteau F, Antignac JP, Le Bizec B.

Analyst. 2012 Nov 7;137(21):4958-67. doi: 10.1039/c2an35865d. Epub 2012 Sep 12.

PMID:
22970429
20.

Workflows for automated downstream data analysis and visualization in large-scale computational mass spectrometry.

Aiche S, Sachsenberg T, Kenar E, Walzer M, Wiswedel B, Kristl T, Boyles M, Duschl A, Huber CG, Berthold MR, Reinert K, Kohlbacher O.

Proteomics. 2015 Apr;15(8):1443-7. doi: 10.1002/pmic.201400391. Epub 2015 Feb 14.

Supplemental Content

Support Center