DOI: 10.1016/j.atmosenv.2018.01.034
Scopus记录号: 2-s2.0-85041460169
论文题名: A new processing scheme for ultra-high resolution direct infusion mass spectrometry data
作者: Zielinski A ; T ; , Kourtchev I ; , Bortolini C ; , Fuller S ; J ; , Giorio C ; , Popoola O ; A ; M ; , Bogialli S ; , Tapparo A ; , Jones R ; L ; , Kalberer M
刊名: Atmospheric Environment
ISSN: 0168-2563
EISSN: 1573-515X
出版年: 2018
卷: 178 起始页码: 129
结束页码: 139
语种: 英语
英文关键词: APPI
; Direct infusion
; Environmental samples
; ESI
; Orbitrap
; UHRMS
Scopus关键词: Atmospheric chemistry
; Atmospheric pressure
; Electrospray ionization
; Ionization
; Mass spectrometers
; Mass spectrometry
; Spectrometry
; APPI
; Direct infusions
; Environmental sample
; Orbitrap
; UHRMS
; Chemical compounds
; aerosol
; air sampling
; Article
; atmospheric pressure
; chemical composition
; electrospray mass spectrometry
; measurement repeatability
; molecular dynamics
; priority journal
; processing
Scopus学科分类: Environmental Science: Water Science and Technology
; Earth and Planetary Sciences: Earth-Surface Processes
; Environmental Science: Environmental Chemistry
英文摘要: High resolution, high accuracy mass spectrometry is widely used to characterise environmental or biological samples with highly complex composition enabling the identification of chemical composition of often unknown compounds. Despite instrumental advancements, the accurate molecular assignment of compounds acquired in high resolution mass spectra remains time consuming and requires automated algorithms, especially for samples covering a wide mass range and large numbers of compounds. A new processing scheme is introduced implementing filtering methods based on element assignment, instrumental error, and blank subtraction. Optional post-processing incorporates common ion selection across replicate measurements and shoulder ion removal. The scheme allows both positive and negative direct infusion electrospray ionisation (ESI) and atmospheric pressure photoionisation (APPI) acquisition with the same programs. An example application to atmospheric organic aerosol samples using an Orbitrap mass spectrometer is reported for both ionisation techniques resulting in final spectra with 0.8% and 8.4% of the peaks retained from the raw spectra for APPI positive and ESI negative acquisition, respectively. © 2018 Elsevier Ltd Citation statistics:
资源类型: 期刊论文
标识符: http://119.78.100.158/handle/2HF3EXSE/82997
Appears in Collections: 气候变化事实与影响
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作者单位: Department of Chemistry, University of Cambridge, Lensfield Road, Cambridge, United Kingdom; Dipartimento di Scienze Chimiche, Università degli Studi di Padova, via Marzolo 1, Padova, Italy
Recommended Citation:
Zielinski A,T,, Kourtchev I,et al. A new processing scheme for ultra-high resolution direct infusion mass spectrometry data[J]. Atmospheric Environment,2018-01-01,178