OrbiMS1 | R Documentation |
A set of 550 MS1 pseudo-spectra of metabolite standards, acquired on an Orbitrap-type mass analyzer (Q Exactive, Thermo-Fisher) in electrospray ionization (ESI) positive mode. Spectra were generated from Thermo raw files using xcms/CAMERA.
data(OrbiMS1)
A list with 550 matrices (spectra). Two attributes are attached to each spectrum:
sum formula of (neutral) compound
exact mass of (neutral) compound
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