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Spectrus Processor specifications

Information


Unique identifier OMICS_26810
Name Spectrus Processor
Alternative name ACD/Spectrus Processor
Software type Toolkit/Suite
Interface Graphical user interface
Restrictions to use License purchase required
Operating system Unix/Linux, Windows
License Commercial
Computer skills Medium
Version 2017.1
Stability Stable
Free trial Yes
Maintained Yes

Versioning


No version available

Documentation


Maintainer


  • person_outline Eugene Kwan

Additional information


http://www.acdlabs.com/products/fileformats/

Publication for Spectrus Processor

Spectrus Processor citations

 (5)
library_books

Metabolomics reveals distinct, antibody independent, molecular signatures of MS, AQP4 antibody and MOG antibody disease

2017
PMCID: 5718082
PMID: 29208041
DOI: 10.1186/s40478-017-0495-8

[…] ce at δ = 1.33 ppm in Topspin 2.1 (Bruker, Germany). Spectra were visually examined for errors in baseline correction, referencing, spectral distortion, or contamination and then exported to ACD/Labs Spectrus Processor Academic Edition 12.01 (Advanced Chemistry Development, Inc.). The regions of the spectra between 0.08–4.20 ppm and 5.20–8.50 ppm were divided in to 0.02 ppm width ‘buckets’ and the […]

call_split

NMR analysis reveals significant differences in the plasma metabolic profiles of Niemann Pick C1 patients, heterozygous carriers, and healthy controls

2017
Sci Rep
PMCID: 5524790
PMID: 28740230
DOI: 10.1038/s41598-017-06264-2
call_split See protocol

[…] -CH3 function doublet located at δ = 1.33 ppm in Topspin 2.1 (Bruker, Germany). All spectra were visually examined for errors in baseline correction or referencing, and were then exported to ACD/Labs Spectrus Processor Academic Edition 12.01 (Advanced Chemistry Development, Inc.). Intelligent bucketing was applied to all spectra simultaneously with bucket widths of 0.04 ± 0.02 ppm. The intense H2O […]

library_books

Membrane remodeling by the M2 amphipathic helix drives influenza virus membrane scission

2017
Sci Rep
PMCID: 5357790
PMID: 28317901
DOI: 10.1038/srep44695

[…] nce, including 3-9-19 WATERGATE. To obtain T1 inversion-recovery 180⁰-τ-90⁰delays in 0.1 s steps between 0.2 and 0.1 s were used. Intensities for STD and T1 relaxation experiments were obtained using Spectrus Processor (ACD Laboratories, Ontario, Canada). […]

library_books

Metabolic responses of willow (Salix purpurea L.) leaves to mycorrhization as revealed by mass spectrometry and 1H NMR spectroscopy metabolite profiling

2015
Front Plant Sci
PMCID: 4434919
PMID: 26042135
DOI: 10.3389/fpls.2015.00344

[…] the software JMP 8.0 (SAS Institute Inc., NC, USA).1H NMR spectra were automatically aligned and bucket integrated using a 0.01 ppm bucket width and the Intelligent Bucketing function of the software Spectrus Processor with a width looseness of 50%. For the discovery of biomarkers performing 1H NMR analyses, the processed data were exported to Microsoft® Excel and the obtained data matrix was fina […]

library_books

The importance of mass spectrometric dereplication in fungal secondary metabolite analysis

2015
Front Microbiol
PMCID: 4330896
PMID: 25741325
DOI: 10.3389/fmicb.2015.00071

[…] gment ions (e.g., [M+H-H2O]+ being identified as [M+H]+ of another compound). Here we have observed that using an algorithm locking the pair like Bruker Target 1.3, Agilent Quant (vide infra), or ACD/Spectrus Processor provides 2–10 fold less false positives than Agilent Qual () or Bruker Target 1.2 () where one cannot require pairs of [M+Na]+ and [M+H]+ or [M+H-H2O]+. […]

Citations

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Spectrus Processor institution(s)
Harvard College Fellow, Department of Chemistry and Chemical Biology, Harvard University, Cambridge, MA, USA

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