The MM-ZAB-2F double-focussing mass spectrometer and mike spectrometer

Morgan, R.P.; Beynon, J. H.; Bateman, Robert; Green, B.N.

doi:10.1016/0020-7381(78)80124-7

Cited by 437 publications

(55 citation statements)

References 14 publications

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“…After correction of product ion intensities for unimolecular decomposition, it was found that CID of mlz 1 17 from acetone produced tnlz 4 These results demonstrate that the species of mlz 117 derived from acetone is an isomer of that produced in diacetone alcohol. The dominant pathway of the former is loss of a neutral fragment of 58 amu, neutral acetone, and this result is consistent with a proton bridged dimer structure 11.…”

Section: Mlz 117mentioning

confidence: 79%

An investigation of the structures of isomeric ions derived from acetone, diacetone alcohol, and mesityl oxide

March¹,

Young²

1988

Can. J. Chem.

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investigation of the structures of isomeric ions derived from acetone, diacetone alcohol, and mesityl oxide. Can. J. Chem. 66, 591 (1988). An investigation of the structures of isomeric ions formed in ion/molecule reactions occurring in 2-propanone (acetone), 4-hydroxy-4-methyl-2-pentanone (diacetone alcohol), and 4-methyl-3-penten-2-one (mesityl oxide) has been performed using a hybrid mass spectrometer of reversed geometry. Ions of mlz 1 17, which have been observed as products of ion/molecule reactions in acetone and in diacetone alcohol, may have a single structure if an aldol type condensation reaction occurs under acidic conditions in the gas phase; however, high energy collision induced dissociation (CID) results proved the two ions to be isomeric only.Dehydration of the mlz 1 17 ions produced a species of mlz 99 which, in the case of diacetone alcohol, may have the structure of protonated mesityl oxide. That the mlz 99 ion formed was unique to each system was demonstrated by high energy CID and kinetic energy release (KER) spectrometry. In the acetone system, CID results suggested that rnlz 99 was an ion-dipole complex of c~H:(cH~)~co; this hypothesis was tested by clustering C~H: with (CD3)?C0 and comparison of its CID results with those obtained above. In the case of mlz 99 derived from diacetone alcohol or mesityl oxide, the neutral lost via metastable decomposition in the second field-free region was found to be C4Hs, presumably 2-methyl propene. While the ion of mlz 99 may also eliminate methane to yield a species of mlz 83, the dominant metastable elimination from this ion is carbon monoxide rather than ethene as shown by collision induced dissociative ionization (CIDI). The ions of mlz 83 observed in the two systems exhibit very similar CID spectra; however, a small variation in the yield of products of mlz 41 and 43 suggests two structures for the ion derived from diacetone alcohol, one of which is identical to that seen in mesityl oxide. RAYMOND EVANS MARCH et ALEXANDER BALDWIN YOUNG. An investigation of the structures of isomeric ions derived fromacetone, diacetone alcohol, and mesityl oxide. Can. J. Chem. 66, 591 (1988). Utilisant un spectromktre de masse de gComCtrie inversee, on a Ctudie les structures des ions isomkres qui se foment au cours des rkactions molCculaires se produisant dans la propanone-2 (acktone), I'hydroxy-4 methyl-4 pentanone-2 (diacktone alcool) et la mCthyl-4 pentkne-3 one-2 (oxyde de mksityle). I1 est possible que les ions de mlz 117, qui sont observCs comme produits dans les rkactions ionlmolCcules de I'acCtone et du diacCtone alcool, aient une structure unique si une reaction de type aldolique se produit dans des conditions acides, en phase gazeuse; toutefois, il est possible que des resultats de dissociations induites par des collisions B hautes Cnergies (DIC) prouvent que les produits ne sont que des isomkres.La deshydratation des ions de mlz 1 17 fournit une espkce de mlz 99 qui, dans le cas du diacCtone alcool, pourrait correspondre B un oxyde de mCsityle protonC. ...

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Section: Mlz 117mentioning

confidence: 79%

An investigation of the structures of isomeric ions derived from acetone, diacetone alcohol, and mesityl oxide

March¹,

Young²

1988

Can. J. Chem.

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“…The CID and charge reversal (CR) spectra [28][29][30] were recorded with a Fisons ZAB-2HFqQ (Fisons Instruments, Manchester, UK) reverse geometry doublefocusing quadrupole hybrid mass spectrometer [31,32]. The CID experiments were carried out with He as the collision gas, whereas 0 2 was used as the collision gas in the CR experiments.…”

Section: Methodsmentioning

confidence: 99%

Formation and characterization of the sulfur-containing distonic radical anion, , in the gas phase, in the gas phase

Born

Ingemann

Nibbering

1995

J. Am. Soc. Mass Spectrom.

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Formation and characterization of the sulfur-containing distonic radical anion,E.CH2-S-E-CHCN, in the gas phase Born, M.; Ingemann Jorgensen, S.; Nibbering, N.M.M. Disclaimer/Complaints regulationsIf you believe that digital publication of certain material infringes any of your rights or (privacy) interests, please let the Library know, stating your reasons. In case of a legitimate complaint, the Library will make the material inaccessible and/or remove it from the website. Please Ask the Library: http://uba.uva.nl/en/contact, or a letter to: Library of the University of Amsterdam, Secretariat, Singel 425, 1012 WP Amsterdam, The Netherlands. You will be contacted as soon as possible. The reactions of the atomic oxygen radical anion O-with CH3--S--CH2--CN m the gas phase have been examined with Fourier transform ion cyclotron resonance in combination with tandem mass spectrometric experiments performed with a double-focusmg quadrupole hybrid mstrument. Deuterium labelmg has revealed that the O-ion reacts with CH3--S--CH2--CN by proton abstraction from the methylene group as well as by competing 1,1-and 1,3-H~ abstractions to afford isomeric radical anions. High kinetic energy (8 keV) collision-induced charge reversal experiments mdicate that the 1,1-H~-'-abstraction leads to a CHB--S--C'--CN carbene ion, whereas the 1,3-H~ abstraction yields a novel sulfur-containing distomc radical anion, wt'uch is formulated as "CH2--S--CH--CN. (J Am Soc Mass Spectrom 1995, 6, 71-75)

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“…Oleic acid (cis-9-octadecenoic acid, C18:1), cis 7,10,13,16,, and 17␤-estradiol (E 2 ) were from Sigma-Aldrich Sweden AB (Stockholm, Sweden).…”

Section: Reagents and Solutionsmentioning

confidence: 99%

“…Traditionally, accurate mass measurements on low molecular weight organic molecules have been performed using high-resolution double-focusing magnetic-sector instruments [2, 4 -9], although Fouriertransform ion-cyclotron-resonance (FTICR) instruments [10] and orthogonal-acceleration time-of-flight (OA-TOF) instruments [11][12][13][14][15] also are currently being used for this application. Magnetic-sector instruments have been manufactured with the capability of achieving resolutions in excess of 100,000 (10% valley definition) for electron ionization applications [16], and FTICR instruments can achieve resolutions in excess of 200,000 (full-width at half-maximum-height [FWHM] definition) in the electrospray (ES) analysis of large biomolecules [10]. Such a resolution is sufficient to resolve the isotopic peaks of large multiply charged proteins and even isotope fine structure, that is, peaks corresponding to species of different elemental compositions [17,18].…”

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confidence: 99%

Electrospray mass spectrometry for the direct accurate mass measurement of ligands in complex with the retinoid X receptor α ligand binding domain

Lengqvist

Alvélius

Jörnvall

et al. 2005

J. Am. Soc. Mass Spectrom.

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Accurate mass measurements are often used in the structural determination of unknown compounds of low molecular mass (i.e., below ϳ500 Da). Recently, it has been shown that accurate mass measurements also can be made on small denatured proteins (i.e., M r , ϳ17,000) to confirm their amino acid composition and identify the presence of isoforms. In the current report, we present nondenaturing electrospray (ES) mass spectrometry data on the direct accurate mass measurement of ligands in complex with the retinoid X receptor ligand binding domain (RXR LBD; M r 31,370.92). Average mass errors were below 0.198 Da, 6.3 ppm (standard deviation [SD], 0.146; n ϭ 10) for low-affinity fatty acid agonists analyzed in complex with the RXR LBD. Protein consumption was less than 15 pmol, with fatty acid ligands present at concentrations corresponding to their median effective concentration value (low micromolar, determined in transfection assays). Although determination of fatty acid mass was only sufficiently accurate to give nominal mass values, measurements were of sufficient accuracy to assign fatty acid chain length, degree of unsaturation, or cyclization. Using 17␤-estradiol as a control, the ability to observe specific ligand binding is shown for both high-and low-affinity RXR␣ agonists. In addition, binding of a novel synthetic receptor agonist XCT0315908 to the RXR␣ LBD is reported. This compound showed a high degree of complex formation, and the receptor-ligand complex could be mass measured with an average mass error of Ϫ0.024 Da, 0.8 ppm (SD, 0.092; n ϭ 9). Thus, specific binding of both nanomolar and micromolar affinity ligands to a nuclear receptor LBD can be directly observed using nondenaturing ES mass spectrometry and accurate mass measurements additionally can be made on intact complexes in the same experiment. This methodology also is applicable when ligands are present as components of mixtures. (J Am Soc Mass Spectrom 2005, 16, 1631-1640

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The MM-ZAB-2F double-focussing mass spectrometer and mike spectrometer

Cited by 437 publications

References 14 publications

An investigation of the structures of isomeric ions derived from acetone, diacetone alcohol, and mesityl oxide

An investigation of the structures of isomeric ions derived from acetone, diacetone alcohol, and mesityl oxide

Formation and characterization of the sulfur-containing distonic radical anion, , in the gas phase, in the gas phase

Electrospray mass spectrometry for the direct accurate mass measurement of ligands in complex with the retinoid X receptor α ligand binding domain

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