Excitation and dissociation of isolated ions derived from polycyclic aromatic hydrocarbons

Pachuta, Steven J.; Kenttämaa, Hilkka I.; Sack, Thomas M.; Cerny, Ronald L.; Tomer, Kenneth B.; Gross, Michael L.; Pachuta, Robin R.; Cooks, R. Graham

doi:10.1021/ja00211a001

Cited by 74 publications

(36 citation statements)

References 1 publication

Supporting

Mentioning

Contrasting

Order By: Relevance

“…(Figure 1) are closely similar, indicating that the internal energy deposited is~6.4/48 = 13% of the laboratory collision energy; Cooks and co-workers [27,28] have found values of 13-16% for SID up to 100 eV. As they have also shown [25][26][27][28][29][30], changing the collision energy changes ion intensities similar to that of a breakdown curve (Figure 2; the possible second maximum for the m tz 70 at 10-20 eV could be due to high experimental error). The internal energy deposited is far greater than that for multikilovolt CAD spectra of substance P, which show m lz 1002 as the base peak and m]z 354 as 20-54% [39].…”

Section: Resultssupporting

confidence: 61%

“…Alternate methods, such as di ssociations with electrons [19,20] and photons [17; 21-24], are promising with FlMS. Surface-induced dissociation (SID), pioneered by Cooks and co-workers [25][26][27][28][29][30], has several attractive advantages. A relatively narrow range of internal energies is deposited; this can be varied by changing the collision energy [29] (200 eV collisions even dissociate anthracene molecular ions into C 2-Cl.…”

mentioning

confidence: 99%

See 1 more Smart Citation

Surface-induced dissociation of peptide ions in Fourier-transform mass spectrometry

Williams

Henry

McLafferty

et al. 1990

J. Am. Soc. Mass Spectrom.

116

View full text Add to dashboard Cite

Peptide molecular ion species up to m/z 3055 introduced into a Fourier-transform mass spectrometer can be made to undergo extensive fragmentation by electrically floating the ion cell. The proportion of ions dissociated increases with increasing voltage, with 48 eV producing the highest absolute abundance of fragment ions above m/z 200. At this energy, spectra closely resemble those from photodissociation at 193 nm, indicating an internal energy deposition of 6-7 eV; change of product abundances with kinetic energy resembles a conventional breakdown curve. The precursor ions apparently are electrostatically attracted to strike screen wires across the ion cell entrance, producing daughter ions of low kinetic energy.

show abstract

Section: Resultssupporting

confidence: 61%

mentioning

confidence: 99%

Surface-induced dissociation of peptide ions in Fourier-transform mass spectrometry

Williams

Henry

McLafferty

et al. 1990

J. Am. Soc. Mass Spectrom.

116

View full text Add to dashboard Cite

show abstract

“…The absence of signal due to background ions from the DAPCI source is consistent with the high ionization efficiency of most PAHs, and reflects their relatively high proton affinities (PA, a well-known feature of many PAHs analyzed using chemical ionization [42]. F o r i n s t a n c e , t h e m a s + fragment ions, and (2) ring opening and extensive isomerization leading to CH 3 and (CH 2 ) n (n 91) losses [60]. Interestingly, unlike high energy collision processes, the low mass fragment ionic series [ 2,3-c,d)pyrene, and 9-ethylfluorene were analyzed using DAPCI-MS from the paper surface using the Thermo LTQ bench-top commercial instrument (see Supplementary Figure S2 + at m/z 163 followed the same CID dissociation fragmentation pattern with the loss of a methyl radical to give a deprotonated pentamethyl benzene fragment ion at m/z 147.…”

Section: Analysis Of Alkylated Benzenes and Pahs Using A Commercial Bsupporting

confidence: 59%

Analysis of Polycyclic Aromatic Hydrocarbons Using Desorption Atmospheric Pressure Chemical Ionization Coupled to a Portable Mass Spectrometer

Jjunju

Maher

et al. 2014

J. Am. Soc. Mass Spectrom.

View full text Add to dashboard Cite

Abstract. Desorption atmospheric pressure chemical ionization (DAPCI) is implemented on a portable mass spectrometer and applied to the direct detection of polycyclic aromatic hydrocarbons (PAHs) and alkyl substituted benzenes. The presence of these compounds in the environment poses a significant threat to the health of both humans and wildlife because of their carcinogenic, toxic, and mutagenic properties. As such, instant detection outside of the laboratory is of particular importance to allow in-situ measurement at the source. Using a rapid, high throughput, miniature, handheld mass spectrometer, several alkyl substituted benzenes and PAHs (i.e., 1,2,3,5-tetramethylbenzene, pentamethylbenzene, hexamethylbenzene, fluoranthene, anthracene, benzo[k]fluoranthene, dibenz [a,h]anthracene, acenaphthene, indeno [1,2,3-c,d]pyrene, 9-ethylfluorene, and 1-benzyl-3-methyl-naphthalene) were identified and characterized using tandem mass spectrometry (MS/MS) from ambient surfaces, in the open air. This method can provide almost instantaneous information while minimizing sample preparation, which is advantageous in terms of both cost and simplicity of analysis. This MS-based technique is applicable to a wide range of environmental organic molecules.

show abstract

“…In collision-induced dissociation experiments, in which PAH ions often collide at keV energies with gas targets, it has been shown that isomer differences are very small as large amounts of energy are transferred to PAH ions following the collisions. 17,18 However, isomer effects may also be more prominent with more gentle ionization methods. [19][20][21] Neutral PAH molecules form loosely bound clusters with binding energies of roughly 100-150 meV per carbon-ring and PAH molecule.…”

Section: Introductionmentioning

confidence: 99%

Polycyclic aromatic hydrocarbon-isomer fragmentation pathways: Case study for pyrene and fluoranthene molecules and clusters

Seitz

Holm

Zettergren

et al. 2011

The Journal of Chemical Physics

View full text Add to dashboard Cite

We report on measurements of the ionization and fragmentation of polycyclic aromatic hydrocarbon (PAH) targets in Xe(20+) + C(16)H(10) and Xe(20+) + [C(16)H(10)](k) collisions and compare results for the two C(16)H(10) isomers: pyrene and fluoranthene. For both types of targets, i.e., for single PAH molecules isolated in vacuum or for isomerically pure clusters of one of the molecules, the resulting fragment spectra are surprisingly similar. However, we do observe weak but significant isomer effects. Although these are manifested in very different ways for the monomer and cluster targets, they both have at their roots small differences (<2.5 eV) between the total binding energies of neutral, and singly and multiply charged pyrene and fluoranthene monomers. The results will be discussed in view of the density functional theory calculations of ionization and dissociation energies for fluoranthene and pyrene. A simple classical over-the-barrier model is used to estimate cross sections for single- and multiple-electron transfer between PAHs and ions. Calculated single and multiple ionization energies, and the corresponding model PAH ionization cross sections, are given.

show abstract

Excitation and dissociation of isolated ions derived from polycyclic aromatic hydrocarbons

Cited by 74 publications

References 1 publication

Surface-induced dissociation of peptide ions in Fourier-transform mass spectrometry

Surface-induced dissociation of peptide ions in Fourier-transform mass spectrometry

Analysis of Polycyclic Aromatic Hydrocarbons Using Desorption Atmospheric Pressure Chemical Ionization Coupled to a Portable Mass Spectrometer

Polycyclic aromatic hydrocarbon-isomer fragmentation pathways: Case study for pyrene and fluoranthene molecules and clusters

Contact Info

Product

Resources

About