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  2. List of mass spectrometry software - Wikipedia

    en.wikipedia.org/wiki/List_of_mass_spectrometry...

    This is an "R" package with graphical user interface for differential abundance analysis of label-free quantitative proteomics data. [70] [71] [72] ms2mz Freeware: Utility converts between mass spectrometer file formats, e.g. to convert proprietary binary files to MGF peak list files, to prepare for upload to Proteome Cluster. Multimaging ...

  3. List of chemical databases - Wikipedia

    en.wikipedia.org/wiki/List_of_chemical_databases

    from 275 data sources "ChemSpider". 88,000,000 ChemIndex: chemical database substances CAS Search; suppliers "Chemindex". Clival Database Clinical Trail Database Clinical Trail Data Solutions 50,000 molecules clinical trail data Phase 0 to IV indications "clival". CMNPD Comprehensive Marine Natural Products Database Peking University

  4. Chloroform (data page) - Wikipedia

    en.wikipedia.org/wiki/Chloroform_(data_page)

    Spectral data. UV-Vis; ... "NIST Standard Reference Database". National Institute of Standards and Technology. ... This page was last edited on 14 June 2023, at 22:12 ...

  5. Nuclear magnetic resonance spectra database - Wikipedia

    en.wikipedia.org/wiki/Nuclear_magnetic_resonance...

    A database that was developed and maintained by the publisher John Wiley & Sons. This database included more than 700,000 NMR, IR and MS Spectra, statistics specific to the NMR spectra are not listed. The NMR data includes 1 H, 13 C, 11 B, 15 N, 17 O, 19 F, 29 Si, and 31 P. The data were in the form of graphically displayed line lists.

  6. SPC file format - Wikipedia

    en.wikipedia.org/wiki/SPC_file_format

    The SPC file format is a file format in which all kinds of spectroscopic data, including among others infrared spectra, Raman spectra and UV/VIS spectra. The format can be regarded as a database with records of variable length and each record stores a different kind of data (instrumental information, information on one spectrum of a dataset ...

  7. Spectral Database for Organic Compounds - Wikipedia

    en.wikipedia.org/wiki/Spectral_Database_for...

    For spectra recorded in the Nicolet spectrometer, the data were stored at intervals of 0.5 cm −1 in the 4,000 – 2,000 cm −1 region and of 0.25 cm −1 in the 2,000 – 400 cm −1 region and the spectral resolution was 0.25 cm −1. For spectra recorded in the JASCO spectrometer, the resolution as well as the intervals was 0.5 cm −1.

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