KatzLab Molecular Analytics

Easy Peasy Transition List Generator

Positive adducts

Negative adducts

Use max events plus an adduct/loss formula: 1 H2O adds neutral water, 1 -H2O subtracts neutral water, and 1 NO3- adds nitrate with negative charge. Charged terms set ion polarity; neutral terms are paired with +H or -H charge carriers. Bracketed Skyline/IUPAC-style entries like 1 [M+NO3]- are also accepted.

Paste compounds

One compound per row. Use tabs, commas, or whitespace. Columns are Name, Formula, optional Retention Time.

Accepted:
Caffeine C8H10N4O2
Atenolol,C14H22N2O3,5.2
D10.34	C59H94N10O10
Heavy isotope examples:
Caffeine-d4	C8H6D4N4O2
Caffeine-13C2	13C2C6H10N4O2
Caffeine-13C	C7[13C]H10N4O2
Ready.

Output

Copy the table directly into Excel or Google Sheets, or download a TSV file.

Masses use monoisotopic exact masses. Heavy isotope formula input supports D, T, mass-prefixed isotopes such as 13C2 and 15N1, and bracketed isotopes such as [13C]2. Skyline output uses the light precursor formula plus isotope labels in the adduct, e.g. C8H6D4N4O2 becomes formula C8H10N4O2 with adduct [M4H2+H]. Positive adduct counts are capped by max + charge, and negative adduct counts are capped by max - charge.