Annotation of Mass Spectra

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Documentation for package ‘Spec2Annot’ version 1.3.4

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Adduct_db adduct data
add_formula_to_annot Add formula to annotate_mz()
annotate_mz Annotate a mass spectrum
annotate_spectra Annotate a matrix and return network edges
annot_to_html Convert annotation to html string
brute_force_const Group m/Z from a vector based on tolerance
CJ1 Cross join of two data.table
db_monocharge Mono charged ions
electron_mass Return the mass of an electorn
Element Periodic table as a data.table
element_from_formula Get element count from formula
find_compo_from_mass Find composition from mass
fun_generate_ions_from_mz Calculate the ions database
fun_get_ion_list Calculate the ions database
gen_adduct Generate adduct list from mz
gen_formula_from_compo Generate formula from composition
gen_ionlist Calculate list of targetd ions from neutral mz
gen_isotopes Function to generate isotopes from an exact mass
gen_losses Generate losses list from mz
gen_monocharge Function to generate monocharges from an exact mass
get_charge_from_compo Get charge from composition
get_dbe Calculate DBE from an elemental composition
get_element_from_mass Get Element from a mass
get_iso_from_annot Get isotopes from annotation
get_nrule Check Nitrogen rule
get_range Get index in range
get_senior Check Senior theorems
ions_database ions data
Isotopes_db isotopes data
Losses_db losses data
match_tables Match two table
mz_calc_ion Calculate ion mass using form
mz_from_string Calculate mz from a string with signs
mz_ppm Get mass deviation in ppm
mz_range Get mass range with ppm
mz_vec_aggregate Group m/Z from a vector based on tolerance
search_db Search DB egaint EXP
search_db_cpp Search DB egaint EXP using cpp function
spectra_full Spectra example
spectra_ms2 Spectra example
string_from_element Return a string from an element table
valence_db Valence data