Mass spectrometry

The mass spectrometry part of PLANETIPAG is composed of a stable isotope ratio mass spectrometer coupled to an elemental analyzer (IRMS) and a high resolution LTQ Orbitrap XL mass spectrometer coupled to an ultra high pressure chromatograph (HRMS-HPLC). The main mission of these instruments is to analyze the organic matter of extraterrestrial materials and to understand their composition.

The HRMS-HPLC platform is also accessible for services outside IPAG within the framework of scientific collaborations. Thus, the Institute of Molecular Chemistry of Grenoble (ICMG) analyzes or controls the composition of samples by mass spectrometry. François-Régis Orthous-Daunay has developed a tool called ATTRIBUTOR for the analysis of data by high resolution mass spectrometry which facilitates the visualisation and interpretation of the spectra. This tool also supports the processing of data resulting from the coupling with HPLC.

IRMS is part of the ERC SOLARYS project led by Pierre Beck.


– IRMS Scientific Manager : Lydie Bonal
– HRMS-HPLC scientific managers : Véronique Vuitton & François-Régis Orthous-Daunay
– Technical manager : Laurène Flandinet

Stable isotope ratio mass spectrometer coupled to an elemental analyzer (IRMS) (IRMS)
Model Delta V Advantage Thermoscientific + elementary analyzer
Flash IRMS CNSOH with ConFlo IV and Smart EA




Technical characteristics

Delta V Advantage

  • Acceleration voltage : 3 kV
  • Mass range at 3 kV : 1 – 80 amu
  • Continuous flow sensitivity (mass 44): better than 1500 molecules/ion
  • Linearity at 3 kV: 0.02 ‰ /nA
  • Consumption of sample for 5 nA (mass 44): 0.06 nmol/s
  • Mass resolution (m/Δm): 110
  • System stability: <10 ppm
  • H3+ factor: <10 ppm /nA
  • Stability of factor H3+: <0.03 ppm/nA/h

Flash IRMS CNSOH with ConFlo

Flash IRMS CNSOH with ConFlo IV and Smart EA

  • Repro δ13C (CO2) at 50 μg of acetanilide C: ≤ 0.10 ‰
  • Repro δ15N (N2) at 50 μg of N acetanilide: ≤ 0.15 ‰
  • Repro δ34S (SO2) at 50 μg of sulfanilamide S: ≤ 0.20 ‰
  • Repro δ34S (SO2) at 10 μg of S of peat soil: ≤0.30 ‰
  • Repro δD (H2) at 25 μg of H of benzoic acid: ≤ 3.00 ‰
  • Repro δ18O (CO) at 50 μg of O of benzoic acid: ≤ 0.40 ‰

Mass spectrometer (HRMS)
Model Thermofisher LTQ-orbitrap XL




Technical characteristics

HRMS

  • High sensitivity and high dynamic range
  • Mass range 50-2000 uma
  • Possibility of performing MSn analyzes
  • High precision: mass accuracy <5 ppm
  • High resolution: 100,000 resolution for m/z = 400
  • Several ionization sources available: ESI, APCI/APPI, NanoESI


Ultra high pressure chromatography (HPLC)
Model Thermofisher Scientific Ultimate 3000




Technical characteristics

HPG3400RS High Pressure Binary Gradient UPLC Pump

  • Flow range: 0 to 8 ml/min
  • Pressure Range: up to 1034 Bars (15,000 psi) from 0 to 5 ml/min and 800 bar (11600 psi) up to 8 ml/min.
  • Flow accuracy: +/- 0.1% at 1ml / min and 400 bars
  • Flow accuracy: <0.05% RSD
  • Gradient accuracy: ± 0.2%
  • Gradient accuracy: typically <0.15%

WPS-3000RS Autosampler

  • Maximum pressure: 1034 bar
  • Injection volume: 10µl to 25µl in 0.1µl increments
  • Accuracy volume injected: <0.25% RSD at 5μL
  • Accuracy: +/- 0.5% at 20μL
  • Linearity: corr. coeff. > 0.9999
  • RSD <0.5% from 5 to 90μL (caffeine in water)

VWD3400RS VIS UV detector

  • Lamp: Deuterium and Tungsten
  • Acquisition frequency: max. 100 Hz
  • Noise: <+/- 2.5 × 10-6 AU (254 nm)
  • Drift: Typically <0.1 mAU/h
  • Detection: 4 simultaneous wavelengths
  • Spectral range: 190–900 nm
  • Accuracy: ± 1nm
  • Wavelength repeatability: +/- 0.1nm
  • Linearity: Up to 2.5 AU (Correlation coeff. > 99.99%)
  • Optical bandwidth: 6 nm to 254 nm


Recent contributions


– Jovanović, L., Gautier, T., Vuitton, V., Wolters, C., Bourgalais, J., Buch, A., Orthous-Daunay, F.-R., Vettier, L., Flandinet, L., Carrasco, N., 2020. Chemical composition of Pluto aerosol analogues. Icarus 346, 113774. https://doi.org/10.1016/j.icarus.2020.113774
– Moran, S.E., Hörst, S.M., Vuitton, V., He, C., Lewis, N.K., Flandinet, L., Moses, J.I., North, N., Orthous-Daunay, F.-R., Sebree, J.A., Wolters, C., Kempton, E.M.-R., Marley, M.S., Morley, C.V., Valenti, J.A., 2020. Chemistry of Temperate Super-Earth and Mini-Neptune Atmospheric Hazes from Laboratory Experiments. Planetary Science Journal 1, 17. https://doi.org/10.3847/PSJ/ab8eae
– Orthous-Daunay, F.-R., Thissen, R., Vuitton, V., 2019. Measured mass to stoichoimetric formula through exhaustive search. Proc. IAU 15, 193–199. https://doi.org/10.1017/S1743921319008032
– Urso, R.G., Vuitton, V., Danger, G., Le Sergeant d’Hendecourt, L., Flandinet, L., Djouadi, Z., Mivumbi, O., Orthous-Daunay, F.R., Ruf, A., Vinogradoff, V., Wolters, C., Brunetto, R., 2020. Irradiation dose affects the composition of organic refractory materials in space: Results from laboratory analogues. A&A 644, A115. https://doi.org/10.1051/0004-6361/202039528
– Vuitton, V., Moran, S.E., He, C., Wolters, C., Flandinet, L., Orthous-Daunay, F.-R., Moses, J.I., Valenti, J.A., Lewis, N.K., Hörst, S.M., 2021. H2SO4 and Organosulfur Compounds in Laboratory Analogue Aerosols of Warm High-metallicity Exoplanet Atmospheres. The Planetary Science Journal 2, 2. https://doi.org/10.3847/PSJ/abc558
– Wolters, C., Flandinet, L., He, C., Isa, J., Orthous-Daunay, F.-R., Thissen, R., Hörst, S., Vuitton, V., 2020. Enhancing data-acquisition for the analysis of complex organic matter in direct infusion Orbitrap mass spectrometry by using micro-scans. Rapid Comm. Mass. Spectrom. 34. https://doi.org/10.1002/rcm.8818