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The program seeks to find mechanisms and their rates for all fragmentation types (EI, Tandem positive and negative mode) and correlates mass spectral peaks to a probable origin structure. It contains an isotope calculator and other features and on-line help. This program is a companion to the NIST Spectra Search Program, v.3.0.
NIST Webbook NIST Chemistry Webbook National Institute of Standards and Technology: spectra CAS ionization energy mass spectrum, InChI C+CAS "NIST Webbook". NMRShiftDB University of Cologne: organic nuclear magnetic resonance spectra "NMRShiftDB". 43,581 NORMAN SLE NORMAN Suspect List Exchange environmental monitoring "NORMAN SLE". 110,000 OMG
NIST NCSTAR 1-4: Active Fire Protection Systems. NIST NCSTAR 1-4A: Post-Construction Fires prior to September 11, 2001; NIST NCSTAR 1-4B: Fire Suppression Systems; NIST NCSTAR 1-4C: Fire Alarm Systems; NIST NCSTAR 1-4D: Smoke Management Systems; NIST NCSTAR 1-5: Reconstruction of the Fires in the World Trade Center Towers
You can explore testing results for drinking water systems near your home, around the state and throughout the country in an interactive map. Explore more data reports at Data Central .
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If a spectrum of an unknown chemical compound is available, a reverse search can be carried out by entering the values of the chemical shift, frequency or mass of the peaks in the NMR, FT-IR or EI-MS spectrum respectively. This type of search affords all the chemical compounds in the database that have the entered spectral characteristics. [6]
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The monoisotopic mass is the sum of the masses of the atoms in a molecule using the unbound, ground-state, rest mass of the principal (most abundant) isotope for each element. [12] [5] The monoisotopic mass of a molecule or ion is the exact mass obtained using the principal isotopes. Monoisotopic mass is typically expressed in daltons.