scholarly journals Oligomers, organosulfates, and nitroxy organosulfates in rainwater identified by ultra-high resolution electrospray ionization FT-ICR mass spectrometry

2008 ◽  
Vol 8 (5) ◽  
pp. 17439-17466 ◽  
Author(s):  
K. E. Altieri ◽  
B. J. Turpin ◽  
S. P. Seitzinger
Keyword(s):  
Mass Spectrometry ◽  
Organic Matter ◽  
High Resolution ◽  
Electrospray Ionization ◽  
Mass Range ◽  
Negative Ion ◽  
Ion Cyclotron Resonance ◽  
Linear Alkylbenzene ◽  
Linear Alkylbenzene Sulfonates ◽  
Ft Icr

Abstract. Wet deposition is an important removal mechanism for atmospheric organic matter, and a potentially important input for receiving ecosystems, yet less than 50% of rainwater organic matter is considered chemically characterized. Precipitation samples collected in New Jersey, USA, were analyzed by negative ion ultra-high resolution electrospray ionization Fourier transform ion cyclotron resonance mass spectrometry (FT-ICR MS). Elemental compositions of 552 unique molecular species were determined in the mass range 50–500 Da in the rainwater. Three main groups of organic compounds were identified: compounds containing carbon, hydrogen, and oxygen (CHO) only, sulfur (S) containing CHOS compounds, and S- and nitrogen containing CHONS compounds. Organic acids commonly identified in precipitation were detected, as well as linear alkylbenzene sulfonates, which are persistent pollutants commonly measured in river water, seawater, and sediments, but to our knowledge, not previously documented in atmospheric samples. Within the three main groups of compounds detected in the rainwater, oligomers, organosulfates, and nitroxy-organosulfates were identified. The majority of the compounds identified are products of atmospheric reactions and are known contributors to secondary organic aerosol (SOA) formed from gas phase, aerosol phase, and in-cloud reactions in the atmosphere. It is suggested that the large uncharacterized component of SOA is the main contributor to the large uncharacterized component of rainwater organic matter.

scholarly journals Oligomers, organosulfates, and nitrooxy organosulfates in rainwater identified by ultra-high resolution electrospray ionization FT-ICR mass spectrometry

2009 ◽  
Vol 9 (7) ◽  
pp. 2533-2542 ◽  
Author(s):  
K. E. Altieri ◽  
B. J. Turpin ◽  
S. P. Seitzinger
Keyword(s):  
Mass Spectrometry ◽  
Organic Matter ◽  
High Resolution ◽  
Electrospray Ionization ◽  
Mass Range ◽  
Negative Ion ◽  
Ion Cyclotron Resonance ◽  
Important Input ◽  
Atmospheric Organic Matter ◽  
Ft Icr

Abstract. Wet deposition is an important removal mechanism for atmospheric organic matter, and a potentially important input for receiving ecosystems, yet less than 50% of rainwater organic matter is considered chemically characterized. Precipitation samples collected in New Jersey, USA, were analyzed by negative ion ultra-high resolution electrospray ionization Fourier transform ion cyclotron resonance mass spectrometry (FT-ICR MS). Elemental compositions of 552 unique molecular species were determined in the mass range 50–500 Da in the rainwater. Four main groups of organic compounds were identified: compounds containing carbon, hydrogen, and oxygen (CHO) only, sulfur (S) containing CHOS compounds, nitrogen (N) containing CHON compounds, and S- and N- containing CHONS compounds. Organic acids commonly identified in precipitation were detected in the rainwater. Within the four main groups of compounds detected in the rainwater, oligomers, organosulfates, and nitrooxy-organosulfates were assigned based on elemental formula comparisons. The majority of the compounds identified are products of atmospheric reactions and are known contributors to secondary organic aerosol (SOA) formed from gas phase, aerosol phase, and in-cloud reactions in the atmosphere. It is suggested that the large uncharacterized component of SOA is the main contributor to the large uncharacterized component of rainwater organic matter.

Molecular characterization of petroporphyrins in crude oil by electrospray ionization Fourier transform ion cyclotron resonance mass spectrometry

2001 ◽  
Vol 79 (5-6) ◽  
pp. 546-551 ◽  
Author(s):  
Ryan P Rodgers ◽  
Christopher L Hendrickson ◽  
Mark R Emmett ◽  
Alan G Marshall ◽  
Mark Greaney ◽  
...  
Keyword(s):  
Mass Spectrometry ◽  
Fourier Transform ◽  
Crude Oil ◽  
Electrospray Ionization ◽  
Cyclotron Resonance ◽  
Spectrometric Analysis ◽  
Ionization Mass ◽  
Ion Cyclotron Resonance ◽  
Ion Cyclotron ◽  
Ft Icr

Petroporphyrin compositional analysis of a heavy crude oil has been realized by isolation and subsequent ESI-FT-ICR mass spectrometric analysis of the porphyrin-containing fractions. Vanadium octaethyl (V=O(II)OEP) and nickel octaethyl (Ni(II)OEP) porphyrin standards were analyzed to determine favorable electrospray ionization conditions and provide insight as to the molecular species present (e.g., adducts, multimers). Standard V=O(II)OEP and Ni(II)OEP solutions revealed the presence of both monomer and dimer species with a greater relative abundance of monomers. In contrast, mass spectral analysis of a porphyrin fraction from Cerro Negro crude oil was dominated by dimeric species. MS3 analysis identified a dioctylphthalate (DOP) contaminant, likely introduced during fractionation of the crude oil. DOP-porphyrin complexes and porphyrin-porphyrin dimers were then identified. Infrared multiphoton dissociation (IRMPD) of dimeric species produced the corresponding monomers with minimal fragmentation. The monomeric petroporphyrins were analyzed to reveal the metal (Ni(II) or V=O(II)), porphyrin type (e.g., etio vs. DPEP), and distribution of alkylation.Key words: petroporphyrin, porphyrin, petroleum, electrospray ionization, mass spectrometry, Fourier transform, ion cyclotron resonance, ICR, FT-ICR, FTMS.

scholarly journals Profiling Murchison Soluble Organic Matter for New Organic Compounds with APPI- and ESI-FT-ICR MS

Life ◽  
2019 ◽  
Vol 9 (2) ◽  
pp. 48 ◽  
Author(s):  
Jasmine Hertzog ◽  
Hiroshi Naraoka ◽  
Philippe Schmitt-Kopplin
Keyword(s):  
Organic Matter ◽  
Negative Ion ◽  
Ion Cyclotron Resonance ◽  
Ms Analysis ◽  
Major Interest ◽  
Polycyclic Aromatic ◽  
Soluble Organic Fraction ◽  
Negative Ion Mode ◽  
Ft Icr Ms ◽  
Ft Icr

The investigation of the abundant organic matter in primitive meteorite such as carbonaceous chondrites is of major interest in the field of origin of life. In this study, the soluble organic fraction of the Murchison meteorite was analyzed by atmospheric pressure photoionization (APPI) and electrospray ionization (ESI) Fourier transform ion cyclotron resonance mass spectrometry (FT-ICR MS), in both detection modes. Such an approach ensured that we obtained an extensive description of the organic matter of the CM2 meteorite. Indeed, while in total close to 16,000 unique features were assigned, only 4% are common to all analyses, illustrating the complementarity of both the detection modes and the ionization sources. ESI FT-ICR MS analysis, in negative-ion mode, ensured to observe specifically CHOS and CHNOS species, whereas the positive-ion mode is more dedicated to the detection of CHNO and CHN species. Moreover, new organomagnesium components were observed in (+) ESI. Eventually, (+) APPI FT-ICR MS analysis was a preferred method for the detection of less polar or nonpolar species such as polycyclic aromatic hydrocarbons but also heteroatom aromatic species composing the organic matter of Murchison.

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