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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. Acetaldehyde (data page) - Wikipedia

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

   Spectral data. UV-Vis; ... "NIST Standard Reference Database". National Institute of Standards and Technology. ... This page was last edited on 11 April 2023, at 14: ...

4. 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

5. 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 ...

6. SIRIUS (software) - Wikipedia

   en.wikipedia.org/wiki/SIRIUS_(software)

   SIRIUS is a Java-based open-source software for the identification of small molecules from fragmentation mass spectrometry data without the use of spectral libraries. It combines the analysis of isotope patterns in MS1 spectra with the analysis of fragmentation patterns in MS2 spectra. SIRIUS is the umbrella application comprising CSI:FingerID ...

7. 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.

8. Dimethyl sulfoxide (data page) - Wikipedia

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

   Phase behavior Triple point: 291.67 K (18.52 °C), ? Pa Critical point [2]: 720 K (447 °C), 5630 kPa Std enthalpy change of fusion, Δ fus H o: 14.37 kJ/mol Std entropy change

9. METLIN - Wikipedia

   en.wikipedia.org/wiki/METLIN

   The tandem MS high-resolution ESI-QTOF MS/MS data on now over 930,000 distinct chemical entities, includes mass spectral collision-induced dissociation data at four different collision energies, in both positive and negative ionization modes. [7] [9] [15]