Introduction to Dissociation Mass

What is/are Dissociation Mass?

Dissociation Mass - The metabolite C17-fengycin B, one of the cyclic lipopeptides, was identified by the combination of silica column chromatography, high-performance liquid chromatography (HPLC), high-energy collision induced dissociation mass spectrometry (HCD-MS) and tandem mass spectrometry (HCD-MS/MS). ^[1] For annotation of metabolites accurate mass collision-induced dissociation mass spectra were acquired and interpreted in conjunction with literature data, database queries and analyses of reference compounds. ^[2] Compared to the UHPLC with collision-induced dissociation mass spectrometry (UHPLC-CID-MS), UHPLC-CTD-MS yielded fewer ambiguous ions and more structurally informative results. ^[3] Charge transfer dissociation mass spectrometry (CTD-MS) has been shown to induce high energy fragmentation of biological ions in the gas phase and provide fragmentation spectra similar to extreme ultraviolet photodissociation (XUVPD). ^[4] Two dominant compounds in this extract, prodigiosin and the serratamolide serrawetin W1, were identified based on mass and collision induced dissociation mass fragmentation spectra. ^[5] Firstly, four reference compounds were analyzed by higher-energy collisional dissociation mass spectrometry (HCD MS/MS) and the fragmentation patterns for molecular scaffold were summarized. ^[6] Ultra-high-performance liquid chromatography (UHPLC) with charge transfer dissociation mass spectrometry (CTD-MS) is presented for the analysis of a mixture of complex sulfated oligosaccharides. ^[7] Here, we apply collision-induced dissociation mass spectrometry (CID-MS) to a group of beta-2 agonists to explore characteristic dissociation pathways and we perform complementary density functional theory calculations to better understand the underlying chemistry and the associated theoretical thermodynamics. ^[8] We identified lipids of migrating Northern saw-whet owls (Aegolius acadicus) using collision-induced dissociation mass spectrometry, compared the lipidomic signatures of hemoparasite-infected and noninfected individuals, and performed cross-validation analyses to reveal associations between parasite infection and lipid levels. ^[9] The National Institute of Standards and Technology (NIST) released an initial DART-MS in-source collisional-induced dissociation mass spectral database for seized drugs in the early 2010s but it has not been updated to reflect the increasing prevalence of novel psychoactive substances. ^[10] The use of gas-phase methods including mass spectrometry, ion mobility mass spectrometry, collision-induced dissociation mass spectrometry, photoelectron spectroscopy, and photodissociation spectroscopy will reveal novel and complementary information on their intrinsic geometric and electronic structures that cannot be obtained by conventional characterization methods. ^[11] This manuscript introduces a new library-search algorithm that enhances presumptive identifications of mixture components using a series of in-source collision-induced dissociation mass spectra collected through DART-MS. ^[12] Transmembrane α-helical domains of membrane proteins tend to remain structured in the gas phase, presenting a challenge for efficient electron capture/transfer dissociation during top-down dissociation mass spectrometry (MS) experiments. ^[13] The tagged peptides were then released from NeutrAvidin beads upon reductant treatment, alkylated with (3-acrylamidopropyl)trimethylammonium chloride, and subjected to electron-transfer dissociation mass spectrometry analysis. ^[14] However, novel and complementary information on their intrinsic stability and structures can be obtained by applying a variety of gas-phase methods, including mass spectrometry, ion mobility mass spectrometry, collision- or surface-induced dissociation mass spectrometry, photoelectron spectroscopy, and photodissociation mass spectrometry, to the chemically modified Au/Ag superatoms isolated in the gas phase. ^[15] Mass spectral features were annotated using the PyCDB web tool and the R package, xMSannotator; annotated features were further validated by collision-induced dissociation mass spectrometry. ^[16] 2]paracyclophane bis(pyridine) ligand is studied by collision-induced dissociation mass spectrometry. ^[17] Here, we employ 213 nm ultraviolet photodissociation mass spectrometry (UVPD-MS) for structural characterization of cyclopropane rings in bacterial phospholipids and MAs. ^[18] Collision-induced dissociation mass spectrometry offers an attractive solution, enabling characterization of mixtures, and providing a wealth of structural information. ^[19] In cases where rich fragmentation patterns are desired for diagnostic purposes, Photodissociation mass spectrometry (PD-MS) is applied successfully. ^[20] The role of cationization in the fragmentation behavior of glycoconjugates is amply documented in collisional activation techniques but remains less explored in ozone-induced dissociation mass spectrometry (OzID-MS). ^[21] A non-targeted screening strategy using two-dimensional (2D) separation and specificity of ultra-high-performance liquid chromatography ion mobility collision-induced dissociation mass spectrometry (UHPLC-IM-CID-MS) has been investigated, to identify the 6-C and 8-C-glycosylflavone isomer orientin/isoorientin and vitexin/isovitexin pairs in Passiflora species. ^[22] In this study, we use ultraviolet photodissociation mass spectrometry, kinetic assays, and structural analyses to dissect how different residues or modifications at the seventh heptad position alter Tyr1 phosphorylation. ^[23] The molecular structures of six open-shell z3-ions resulting from electron transfer dissociation mass spectrometry (ETD MS) were investigated using infrared ion spectroscopy in the 800-1850 and 3200-3700 cm-1 spectral ranges in combination with density functional theory and molecular mechanics/molecular dynamics calculations. ^[24] Surface-induced dissociation mass spectrometry as a method to better predict protein complex structure. ^[25] The aim of this project was to determine chromatographic characteristics of PyCs and their mass spectral signatures using authentic standards and determine if two types of PyCs (PyC2-Gly and PyC3-Gly) can be detected in commonly consumed plant foods and validated using chromatographic characteristics and ion dissociation mass spectrometry (MS/MS). ^[26] It is based on ultraviolet photodissociation mass spectrometry of cryogenically cooled ions and a machine-learning algorithm. ^[27] A variety of the gas-phase methods including ion-mobility–mass spectrometry, collision- or surface-induced dissociation mass spectrometry, photoelectron spectroscopy, and photodissociation mass spectrometry have been applied to the chemically modified Au/Ag superatom ions isolated in the gas phase. ^[28] Previously, we have demonstrated the effect of salt-bridges on the electron capture dissociation mass spectrometry behaviour of synthetic model phosphopeptides and applied an ion mobility spectrometry/molecular modelling approach to rationalise the findings in terms of peptide ion structure. ^[29] Photodissociation mass spectra of fatty acids conjugated to 1-(3-(aminomethyl)-4-iodophenyl)pyridin-1-ium (4-I-AMPP+) and 1-(4-(aminomethyl)-3-iodophenyl)pyridin-1-ium (3-I-AMPP+) derivatives reveal structurally diagnostic product ions. ^[30] Ozone-induced dissociation mass spectrometry (OzID-MS) serves as an orthogonal structure elucidation tool, using predictable fragmentation patterns that are generated after ozonolysis across a carbon-carbon double bond. ^[31] Using a hybrid MS3 approach combining collisional dissociation and ultraviolet photodissociation mass spectrometry for analysis of the regioisomers and natural diPT, the regiochemistry of the acyl chains of this abundant immunostimulatory glycolipid was established. ^[32] Through the use of 1H NMR, diffusion-ordered spectroscopy (DOSY), circular dichroism (CD), collision-induced dissociation mass spectrometry (CID-MS) and molecular dynamics (MD) simulations on the different-sized knots, we find that the structure, dynamics, and reactivity of the molecular chains are dramatically affected by the tightness of the knotting. ^[33] The photodissociation mass spectra of cold gas-phase clusters that contained Na+, Trp enantiomers, and d-maltose showed that Na+(d-Glc) was formed via the glycosidic bond cleavage of d-maltose from photoexcited homochiral Na+(d-Trp)(d-maltose), while the dissociation did not occur in heterochiral Na+(l-Trp)(d-maltose). ^[34]

high performance liquid

The metabolite C17-fengycin B, one of the cyclic lipopeptides, was identified by the combination of silica column chromatography, high-performance liquid chromatography (HPLC), high-energy collision induced dissociation mass spectrometry (HCD-MS) and tandem mass spectrometry (HCD-MS/MS). ^[1] Ultra-high-performance liquid chromatography (UHPLC) with charge transfer dissociation mass spectrometry (CTD-MS) is presented for the analysis of a mixture of complex sulfated oligosaccharides. ^[2]

spectrometry photoelectron spectroscopy

The use of gas-phase methods including mass spectrometry, ion mobility mass spectrometry, collision-induced dissociation mass spectrometry, photoelectron spectroscopy, and photodissociation spectroscopy will reveal novel and complementary information on their intrinsic geometric and electronic structures that cannot be obtained by conventional characterization methods. ^[1]

Induced Dissociation Mass

The metabolite C17-fengycin B, one of the cyclic lipopeptides, was identified by the combination of silica column chromatography, high-performance liquid chromatography (HPLC), high-energy collision induced dissociation mass spectrometry (HCD-MS) and tandem mass spectrometry (HCD-MS/MS). ^[1] For annotation of metabolites accurate mass collision-induced dissociation mass spectra were acquired and interpreted in conjunction with literature data, database queries and analyses of reference compounds. ^[2] Compared to the UHPLC with collision-induced dissociation mass spectrometry (UHPLC-CID-MS), UHPLC-CTD-MS yielded fewer ambiguous ions and more structurally informative results. ^[3] Two dominant compounds in this extract, prodigiosin and the serratamolide serrawetin W1, were identified based on mass and collision induced dissociation mass fragmentation spectra. ^[4] Here, we apply collision-induced dissociation mass spectrometry (CID-MS) to a group of beta-2 agonists to explore characteristic dissociation pathways and we perform complementary density functional theory calculations to better understand the underlying chemistry and the associated theoretical thermodynamics. ^[5] We identified lipids of migrating Northern saw-whet owls (Aegolius acadicus) using collision-induced dissociation mass spectrometry, compared the lipidomic signatures of hemoparasite-infected and noninfected individuals, and performed cross-validation analyses to reveal associations between parasite infection and lipid levels. ^[6] The National Institute of Standards and Technology (NIST) released an initial DART-MS in-source collisional-induced dissociation mass spectral database for seized drugs in the early 2010s but it has not been updated to reflect the increasing prevalence of novel psychoactive substances. ^[7] The use of gas-phase methods including mass spectrometry, ion mobility mass spectrometry, collision-induced dissociation mass spectrometry, photoelectron spectroscopy, and photodissociation spectroscopy will reveal novel and complementary information on their intrinsic geometric and electronic structures that cannot be obtained by conventional characterization methods. ^[8] This manuscript introduces a new library-search algorithm that enhances presumptive identifications of mixture components using a series of in-source collision-induced dissociation mass spectra collected through DART-MS. ^[9] However, novel and complementary information on their intrinsic stability and structures can be obtained by applying a variety of gas-phase methods, including mass spectrometry, ion mobility mass spectrometry, collision- or surface-induced dissociation mass spectrometry, photoelectron spectroscopy, and photodissociation mass spectrometry, to the chemically modified Au/Ag superatoms isolated in the gas phase. ^[10] Mass spectral features were annotated using the PyCDB web tool and the R package, xMSannotator; annotated features were further validated by collision-induced dissociation mass spectrometry. ^[11] 2]paracyclophane bis(pyridine) ligand is studied by collision-induced dissociation mass spectrometry. ^[12] Collision-induced dissociation mass spectrometry offers an attractive solution, enabling characterization of mixtures, and providing a wealth of structural information. ^[13] The role of cationization in the fragmentation behavior of glycoconjugates is amply documented in collisional activation techniques but remains less explored in ozone-induced dissociation mass spectrometry (OzID-MS). ^[14] A non-targeted screening strategy using two-dimensional (2D) separation and specificity of ultra-high-performance liquid chromatography ion mobility collision-induced dissociation mass spectrometry (UHPLC-IM-CID-MS) has been investigated, to identify the 6-C and 8-C-glycosylflavone isomer orientin/isoorientin and vitexin/isovitexin pairs in Passiflora species. ^[15] Surface-induced dissociation mass spectrometry as a method to better predict protein complex structure. ^[16] A variety of the gas-phase methods including ion-mobility–mass spectrometry, collision- or surface-induced dissociation mass spectrometry, photoelectron spectroscopy, and photodissociation mass spectrometry have been applied to the chemically modified Au/Ag superatom ions isolated in the gas phase. ^[17] Ozone-induced dissociation mass spectrometry (OzID-MS) serves as an orthogonal structure elucidation tool, using predictable fragmentation patterns that are generated after ozonolysis across a carbon-carbon double bond. ^[18] Through the use of 1H NMR, diffusion-ordered spectroscopy (DOSY), circular dichroism (CD), collision-induced dissociation mass spectrometry (CID-MS) and molecular dynamics (MD) simulations on the different-sized knots, we find that the structure, dynamics, and reactivity of the molecular chains are dramatically affected by the tightness of the knotting. ^[19]

Transfer Dissociation Mass

Charge transfer dissociation mass spectrometry (CTD-MS) has been shown to induce high energy fragmentation of biological ions in the gas phase and provide fragmentation spectra similar to extreme ultraviolet photodissociation (XUVPD). ^[1] Ultra-high-performance liquid chromatography (UHPLC) with charge transfer dissociation mass spectrometry (CTD-MS) is presented for the analysis of a mixture of complex sulfated oligosaccharides. ^[2] The tagged peptides were then released from NeutrAvidin beads upon reductant treatment, alkylated with (3-acrylamidopropyl)trimethylammonium chloride, and subjected to electron-transfer dissociation mass spectrometry analysis. ^[3] The molecular structures of six open-shell z3-ions resulting from electron transfer dissociation mass spectrometry (ETD MS) were investigated using infrared ion spectroscopy in the 800-1850 and 3200-3700 cm-1 spectral ranges in combination with density functional theory and molecular mechanics/molecular dynamics calculations. ^[4]

dissociation mass spectrometry

The metabolite C17-fengycin B, one of the cyclic lipopeptides, was identified by the combination of silica column chromatography, high-performance liquid chromatography (HPLC), high-energy collision induced dissociation mass spectrometry (HCD-MS) and tandem mass spectrometry (HCD-MS/MS). ^[1] Compared to the UHPLC with collision-induced dissociation mass spectrometry (UHPLC-CID-MS), UHPLC-CTD-MS yielded fewer ambiguous ions and more structurally informative results. ^[2] Charge transfer dissociation mass spectrometry (CTD-MS) has been shown to induce high energy fragmentation of biological ions in the gas phase and provide fragmentation spectra similar to extreme ultraviolet photodissociation (XUVPD). ^[3] Firstly, four reference compounds were analyzed by higher-energy collisional dissociation mass spectrometry (HCD MS/MS) and the fragmentation patterns for molecular scaffold were summarized. ^[4] Ultra-high-performance liquid chromatography (UHPLC) with charge transfer dissociation mass spectrometry (CTD-MS) is presented for the analysis of a mixture of complex sulfated oligosaccharides. ^[5] Here, we apply collision-induced dissociation mass spectrometry (CID-MS) to a group of beta-2 agonists to explore characteristic dissociation pathways and we perform complementary density functional theory calculations to better understand the underlying chemistry and the associated theoretical thermodynamics. ^[6] We identified lipids of migrating Northern saw-whet owls (Aegolius acadicus) using collision-induced dissociation mass spectrometry, compared the lipidomic signatures of hemoparasite-infected and noninfected individuals, and performed cross-validation analyses to reveal associations between parasite infection and lipid levels. ^[7] The use of gas-phase methods including mass spectrometry, ion mobility mass spectrometry, collision-induced dissociation mass spectrometry, photoelectron spectroscopy, and photodissociation spectroscopy will reveal novel and complementary information on their intrinsic geometric and electronic structures that cannot be obtained by conventional characterization methods. ^[8] Transmembrane α-helical domains of membrane proteins tend to remain structured in the gas phase, presenting a challenge for efficient electron capture/transfer dissociation during top-down dissociation mass spectrometry (MS) experiments. ^[9] The tagged peptides were then released from NeutrAvidin beads upon reductant treatment, alkylated with (3-acrylamidopropyl)trimethylammonium chloride, and subjected to electron-transfer dissociation mass spectrometry analysis. ^[10] However, novel and complementary information on their intrinsic stability and structures can be obtained by applying a variety of gas-phase methods, including mass spectrometry, ion mobility mass spectrometry, collision- or surface-induced dissociation mass spectrometry, photoelectron spectroscopy, and photodissociation mass spectrometry, to the chemically modified Au/Ag superatoms isolated in the gas phase. ^[11] Mass spectral features were annotated using the PyCDB web tool and the R package, xMSannotator; annotated features were further validated by collision-induced dissociation mass spectrometry. ^[12] 2]paracyclophane bis(pyridine) ligand is studied by collision-induced dissociation mass spectrometry. ^[13] Here, we employ 213 nm ultraviolet photodissociation mass spectrometry (UVPD-MS) for structural characterization of cyclopropane rings in bacterial phospholipids and MAs. ^[14] Collision-induced dissociation mass spectrometry offers an attractive solution, enabling characterization of mixtures, and providing a wealth of structural information. ^[15] In cases where rich fragmentation patterns are desired for diagnostic purposes, Photodissociation mass spectrometry (PD-MS) is applied successfully. ^[16] The role of cationization in the fragmentation behavior of glycoconjugates is amply documented in collisional activation techniques but remains less explored in ozone-induced dissociation mass spectrometry (OzID-MS). ^[17] A non-targeted screening strategy using two-dimensional (2D) separation and specificity of ultra-high-performance liquid chromatography ion mobility collision-induced dissociation mass spectrometry (UHPLC-IM-CID-MS) has been investigated, to identify the 6-C and 8-C-glycosylflavone isomer orientin/isoorientin and vitexin/isovitexin pairs in Passiflora species. ^[18] In this study, we use ultraviolet photodissociation mass spectrometry, kinetic assays, and structural analyses to dissect how different residues or modifications at the seventh heptad position alter Tyr1 phosphorylation. ^[19] The molecular structures of six open-shell z3-ions resulting from electron transfer dissociation mass spectrometry (ETD MS) were investigated using infrared ion spectroscopy in the 800-1850 and 3200-3700 cm-1 spectral ranges in combination with density functional theory and molecular mechanics/molecular dynamics calculations. ^[20] Surface-induced dissociation mass spectrometry as a method to better predict protein complex structure. ^[21] The aim of this project was to determine chromatographic characteristics of PyCs and their mass spectral signatures using authentic standards and determine if two types of PyCs (PyC2-Gly and PyC3-Gly) can be detected in commonly consumed plant foods and validated using chromatographic characteristics and ion dissociation mass spectrometry (MS/MS). ^[22] It is based on ultraviolet photodissociation mass spectrometry of cryogenically cooled ions and a machine-learning algorithm. ^[23] A variety of the gas-phase methods including ion-mobility–mass spectrometry, collision- or surface-induced dissociation mass spectrometry, photoelectron spectroscopy, and photodissociation mass spectrometry have been applied to the chemically modified Au/Ag superatom ions isolated in the gas phase. ^[24] Previously, we have demonstrated the effect of salt-bridges on the electron capture dissociation mass spectrometry behaviour of synthetic model phosphopeptides and applied an ion mobility spectrometry/molecular modelling approach to rationalise the findings in terms of peptide ion structure. ^[25] Ozone-induced dissociation mass spectrometry (OzID-MS) serves as an orthogonal structure elucidation tool, using predictable fragmentation patterns that are generated after ozonolysis across a carbon-carbon double bond. ^[26] Using a hybrid MS3 approach combining collisional dissociation and ultraviolet photodissociation mass spectrometry for analysis of the regioisomers and natural diPT, the regiochemistry of the acyl chains of this abundant immunostimulatory glycolipid was established. ^[27] Through the use of 1H NMR, diffusion-ordered spectroscopy (DOSY), circular dichroism (CD), collision-induced dissociation mass spectrometry (CID-MS) and molecular dynamics (MD) simulations on the different-sized knots, we find that the structure, dynamics, and reactivity of the molecular chains are dramatically affected by the tightness of the knotting. ^[28]

dissociation mass spectra

For annotation of metabolites accurate mass collision-induced dissociation mass spectra were acquired and interpreted in conjunction with literature data, database queries and analyses of reference compounds. ^[1] This manuscript introduces a new library-search algorithm that enhances presumptive identifications of mixture components using a series of in-source collision-induced dissociation mass spectra collected through DART-MS. ^[2] Photodissociation mass spectra of fatty acids conjugated to 1-(3-(aminomethyl)-4-iodophenyl)pyridin-1-ium (4-I-AMPP+) and 1-(4-(aminomethyl)-3-iodophenyl)pyridin-1-ium (3-I-AMPP+) derivatives reveal structurally diagnostic product ions. ^[3] The photodissociation mass spectra of cold gas-phase clusters that contained Na+, Trp enantiomers, and d-maltose showed that Na+(d-Glc) was formed via the glycosidic bond cleavage of d-maltose from photoexcited homochiral Na+(d-Trp)(d-maltose), while the dissociation did not occur in heterochiral Na+(l-Trp)(d-maltose). ^[4]