SPACEMOUSE Interstellar Ice Photochemistry and Residue Formation: Amino Acid Dataset

This dataset contains laboratory simulations of interstellar ice photochemistry and subsequent residue formation conducted using the SPACEMOUSE experimental setup. The primary ice irradiation experiments were performed at the Harvard Center for Astrophysics within the Öberg Astrochemistry Laboratory, with ex situ mass spectrometric analyses conducted at the California Institute of Technology, Division of Geological and Planetary Sciences. The archive includes commissioning CH₃OH-only ice experiments (C1–C8 and CB1) and CH₃OH–NH₃ residue formation experiments (S1–S8, SB1–SB2) conducted under multiple irradiation conditions and isotopic labeling regimes (¹²C¹⁴N, ¹²C¹⁵N, ¹³C¹⁵N).

The repository provides raw and processed experimental data, including Temperature Programmed Desorption (TPD) quadrupole mass spectrometry (QMS) signals temperature logs, and pressure logs, as well as Orbitrap RAW and exported XLSX spectra of refractory photochemical residues. Calibration datasets and quadratic mass calibration coefficients are included to enable reproducible high-accuracy mass assignments.

Accompanying Python analysis scripts perform quadratic mass calibration, blank-corrected peak detection, CHNO elemental formula assignment, and intensity-weighted bulk elemental ratio calculations. Additional scripts generate multi-panel amino acid detection figures corresponding to Figure F1 of the associated manuscript.

This archive enables full reproducibility of amino acid detections and bulk chemical analysis derived from laboratory simulations of interstellar ice residue formation chemistry.

DOI: https://doi.org/10.5281/zenodo.18854691