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  • 99
    Thermo Fisher pierce ltq esi positive ion calibration solution
    Schisandrin B is identified as a potent agent for treatment of male fertility Notes: The studies (A-B) were performed by simulation and statistical analyses in accordance with measurements on the methanol extract of Wuzi Yanzong-Pill (WP) by <t>UPLC-ESI-LTQ-Orbitrap-MS.</t> A. Similarity scores of drug molecular structures for 106 major compounds extracted from WP. The study was performed for evaluating the druggability for each component by software of Medchem Studio v3.0 (Simulations Plus, Inc., Lancaster, CA). The result reveals that schisandrin B (SB) along with 21 other components has been listed in the higher score in evaluating the druggability. B. Factor comprehensive score of SB among 22 compounds which have higher similarity scores of drug molecular structures. The study was performed for further screening the drug candidate with the Factor Analysis with software of SPSS v 20 (IBM, Armonk, NY). Factor 1, the similarity scores of drug molecular structures; Factor 2, the relative abundances of a compound among 22 compounds extracted from WP. The result indicates that SB has the highest druggability among them in evaluating the factor comprehensive score. The studies (C-I) were analyzed by UPLC-ESI-LTQ-Orbitrap-MS: C. Typical total ion chromatogram (TIC) of pure SB; D. Triple fragment spectra of pure SB; E. Fragmentation pathways of SB; F. Typical TIC chromatogram of blank mouse plasma; G. Typical TIC chromatogram of mouse plasma after oral administration of SB (20mg/kg) at 3 h; H. Typical TIC chromatogram of blank mouse testis; I. Typical TIC chromatograms of mouse testis after oral administration of SB (20mg/kg) at 3 h. The studies (J-K) were performed by gene sequence profiling on the testicular samples of oligoasthenospermia mice (OM) after oral administration of SB (20mg/kg/d for 2 weeks; n = 3) or WP (1.56g/kg/d for 2 weeks; n = 3): J. Gene heatmaps for the most significant up- and downregulated genes (each 50 genes) in the testicular samples from OM after oral treatment with WP (1.56g/kg/d for 2 weeks; n = 3) or SB (20mg/kg/d for 2 weeks; n = 3). Red color indicates the upregulated genes; Blue color indicates the downregulated genes. K. Pearson correlation of the regulated gene log-folds between WP and SB. r represents correlation coefficient.
    Pierce Ltq Esi Positive Ion Calibration Solution, supplied by Thermo Fisher, used in various techniques. Bioz Stars score: 99/100, based on 36 PubMed citations. ZERO BIAS - scores, article reviews, protocol conditions and more
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    94
    Millipore proteomass esi calibration kit mscal5
    Schisandrin B is identified as a potent agent for treatment of male fertility Notes: The studies (A-B) were performed by simulation and statistical analyses in accordance with measurements on the methanol extract of Wuzi Yanzong-Pill (WP) by <t>UPLC-ESI-LTQ-Orbitrap-MS.</t> A. Similarity scores of drug molecular structures for 106 major compounds extracted from WP. The study was performed for evaluating the druggability for each component by software of Medchem Studio v3.0 (Simulations Plus, Inc., Lancaster, CA). The result reveals that schisandrin B (SB) along with 21 other components has been listed in the higher score in evaluating the druggability. B. Factor comprehensive score of SB among 22 compounds which have higher similarity scores of drug molecular structures. The study was performed for further screening the drug candidate with the Factor Analysis with software of SPSS v 20 (IBM, Armonk, NY). Factor 1, the similarity scores of drug molecular structures; Factor 2, the relative abundances of a compound among 22 compounds extracted from WP. The result indicates that SB has the highest druggability among them in evaluating the factor comprehensive score. The studies (C-I) were analyzed by UPLC-ESI-LTQ-Orbitrap-MS: C. Typical total ion chromatogram (TIC) of pure SB; D. Triple fragment spectra of pure SB; E. Fragmentation pathways of SB; F. Typical TIC chromatogram of blank mouse plasma; G. Typical TIC chromatogram of mouse plasma after oral administration of SB (20mg/kg) at 3 h; H. Typical TIC chromatogram of blank mouse testis; I. Typical TIC chromatograms of mouse testis after oral administration of SB (20mg/kg) at 3 h. The studies (J-K) were performed by gene sequence profiling on the testicular samples of oligoasthenospermia mice (OM) after oral administration of SB (20mg/kg/d for 2 weeks; n = 3) or WP (1.56g/kg/d for 2 weeks; n = 3): J. Gene heatmaps for the most significant up- and downregulated genes (each 50 genes) in the testicular samples from OM after oral treatment with WP (1.56g/kg/d for 2 weeks; n = 3) or SB (20mg/kg/d for 2 weeks; n = 3). Red color indicates the upregulated genes; Blue color indicates the downregulated genes. K. Pearson correlation of the regulated gene log-folds between WP and SB. r represents correlation coefficient.
    Proteomass Esi Calibration Kit Mscal5, supplied by Millipore, used in various techniques. Bioz Stars score: 94/100, based on 42 PubMed citations. ZERO BIAS - scores, article reviews, protocol conditions and more
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    90
    Waters Corporation electrospray ionization mode
    Targeted metabolomics profiles in the GBS patients, the multiple sclerosis (MS) patients, and the healthy controls (control). Extracted plasma from GBS patients (n = 38), MS patients (n = 22) and healthy controls (n = 40) were analyzed by LC-MS/MS and FIA-MS/MS in <t>electrospray</t> positive and negative ion mode. ( A ) The orthogonal partial least squares discriminant analysis (OPLS-DA) demonstrates a clear separation of metabolites between GBS, MS, and control cases (R2 = 0.503, Q2 = 0.338). ( B ) A Venn diagram was used to visualize the number of extremely different metabolites (p
    Electrospray Ionization Mode, supplied by Waters Corporation, used in various techniques. Bioz Stars score: 90/100, based on 188 PubMed citations. ZERO BIAS - scores, article reviews, protocol conditions and more
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    Agilent technologies electrospray ionization mode
    Detection of phosphorylated sphingosine analogs. (A) LC-HRMS verification of the identity of the clickable sphingosine analogs used and detection of a phosphorylation product of ω-N 3 -sphingosine catalyzed by SphK1 in vitro . Lipid extracts from incubation of 1-N 3 -sphingosine or ω-N 3 -sphingosine with SphK1 and ATP were chromatographically separated by HPLC and analyzed with a quadrupole-time-of-flight mass spectrometer (QTOF MS) operating in the positive <t>electrospray</t> ionization mode <t>(ESI+).</t> Chemical structures and mass spectra of ionized ω-N 3 -sphingosine (left), 1-N 3 -sphingosine (middle), and phosphorylated ω-N 3 -S1P (right) are shown. No phosphorylation product of 1-N 3 -sphingosine could be detected. The retention time (t R ) of each substance analyzed is given as inset (top left) in the respective mass spectrum. (B) Detection of ω-N 3 -sphingosine 1-phosphate in Chang cells by LC-MS/MS. Chang cells were incubated with either 1-N 3 -sphingosine or ω-N 3 -sphingosine (10 μM) for 17 h. Lipid extracts were analyzed by selected reaction monitoring (SRM) after positive electrospray ionization (ESI+). As expected, no phosphorylation product could be detected for 1-N 3 -sphingosine (not shown). On the other hand, both ω-N 3 -sphingosine (upper chromatogram) and ω-N 3 -S1P (lower chromatogram) were present in lipid extracts of Chang cells stimulated with ω-N 3 -sphingosine. Assuming similar MS/MS responses for precursor and phosphorylation product, a conversion of about 20% occurred under the given experimental conditions. Peaks are labeled with retention time. Structural formulas and MS/MS fragmentations monitored are given as insets. CID, collision-induced dissociation.
    Electrospray Ionization Mode, supplied by Agilent technologies, used in various techniques. Bioz Stars score: 90/100, based on 150 PubMed citations. ZERO BIAS - scores, article reviews, protocol conditions and more
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    Shimadzu Corporation electrospray ionization esi mode
    Determination of reduction potentials of cSelS and cSelS U188C in GSH/GSSG redox buffers. The ratio of reduced and oxidized protein was determined by <t>electrospray</t> ionization mass spectroscopy. (A) A representative electrospray ionization mass spectrum of cSelS following incubation in a redox buffer poised at −232 mV and subsequent alkylation. The panel shows the charge state distribution of multiply charged ions [M+18H] 18+ to [M+22H] 22+ from m/z 680 to 870. (B) Deconvoluted spectrum. Molecular weights: alkylated cSelS 188Δ 15149 Da, oxidized cSelS 15300 Da and alkylated cSelS 15414 Da. (C) A representative electrospray ionization mass spectrum of cSelS U188C following incubation in a redox buffer poised at −209 mV and subsequent alkylation. The panel shows the charge state distribution of multiply charged ions [M+18H] 18+ to [M+22H] 22+ from m/z 685 to 870. (D) Deconvoluted spectrum. Molecular weights: oxidized cSelS U188C 15253 Da and alkylated cSelS U188C 15365 Da. Panels E and F display the resulting titration curves for (E) cSelS, reduction potential −234±1 mV; and (F) cSelS U188C, reduction potential −211±1 mV. The fraction of reduced protein is plotted against the buffer redox potential poised by the ratio of GSH to GSSG. The error bars represent the range of measurements (that is, highest and lowest values) among three repetitions, using two independent protein preparations.
    Electrospray Ionization Esi Mode, supplied by Shimadzu Corporation, used in various techniques. Bioz Stars score: 90/100, based on 76 PubMed citations. ZERO BIAS - scores, article reviews, protocol conditions and more
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    91
    Thermo Fisher electrospray ionization mode
    <t>Electrospray</t> ionization <t>(ESI)</t> mass spectra of a compound 1 and b compound 2
    Electrospray Ionization Mode, supplied by Thermo Fisher, used in various techniques. Bioz Stars score: 91/100, based on 51 PubMed citations. ZERO BIAS - scores, article reviews, protocol conditions and more
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    Supelco proteomass ltq ft hybrid esi positive mode cal mix
    <t>Electrospray</t> ionization <t>(ESI)</t> mass spectra of a compound 1 and b compound 2
    Proteomass Ltq Ft Hybrid Esi Positive Mode Cal Mix, supplied by Supelco, used in various techniques. Bioz Stars score: 90/100, based on 28 PubMed citations. ZERO BIAS - scores, article reviews, protocol conditions and more
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    Thermo Fisher esi positive ion mode
    <t>Electrospray</t> ionization <t>(ESI)</t> mass spectra of a compound 1 and b compound 2
    Esi Positive Ion Mode, supplied by Thermo Fisher, used in various techniques. Bioz Stars score: 88/100, based on 13 PubMed citations. ZERO BIAS - scores, article reviews, protocol conditions and more
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    Waters Corporation ion mode electrospray ionization
    <t>Electrospray</t> ionization <t>(ESI)</t> mass spectra of a compound 1 and b compound 2
    Ion Mode Electrospray Ionization, supplied by Waters Corporation, used in various techniques. Bioz Stars score: 91/100, based on 17 PubMed citations. ZERO BIAS - scores, article reviews, protocol conditions and more
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    Agilent technologies apci esi ionization mode
    <t>Electrospray</t> ionization <t>(ESI)</t> mass spectra of a compound 1 and b compound 2
    Apci Esi Ionization Mode, supplied by Agilent technologies, used in various techniques. Bioz Stars score: 96/100, based on 10 PubMed citations. ZERO BIAS - scores, article reviews, protocol conditions and more
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    Agilent technologies esi mass spectrum mode
    <t>Electrospray</t> ionization <t>(ESI)</t> mass spectra of a compound 1 and b compound 2
    Esi Mass Spectrum Mode, supplied by Agilent technologies, used in various techniques. Bioz Stars score: 92/100, based on 10 PubMed citations. ZERO BIAS - scores, article reviews, protocol conditions and more
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    Agilent technologies electrospray ionization positive ion mode
    <t>Electrospray</t> ionization <t>(ESI)</t> mass spectra of a compound 1 and b compound 2
    Electrospray Ionization Positive Ion Mode, supplied by Agilent technologies, used in various techniques. Bioz Stars score: 92/100, based on 8 PubMed citations. ZERO BIAS - scores, article reviews, protocol conditions and more
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    Image Search Results


    Schisandrin B is identified as a potent agent for treatment of male fertility Notes: The studies (A-B) were performed by simulation and statistical analyses in accordance with measurements on the methanol extract of Wuzi Yanzong-Pill (WP) by UPLC-ESI-LTQ-Orbitrap-MS. A. Similarity scores of drug molecular structures for 106 major compounds extracted from WP. The study was performed for evaluating the druggability for each component by software of Medchem Studio v3.0 (Simulations Plus, Inc., Lancaster, CA). The result reveals that schisandrin B (SB) along with 21 other components has been listed in the higher score in evaluating the druggability. B. Factor comprehensive score of SB among 22 compounds which have higher similarity scores of drug molecular structures. The study was performed for further screening the drug candidate with the Factor Analysis with software of SPSS v 20 (IBM, Armonk, NY). Factor 1, the similarity scores of drug molecular structures; Factor 2, the relative abundances of a compound among 22 compounds extracted from WP. The result indicates that SB has the highest druggability among them in evaluating the factor comprehensive score. The studies (C-I) were analyzed by UPLC-ESI-LTQ-Orbitrap-MS: C. Typical total ion chromatogram (TIC) of pure SB; D. Triple fragment spectra of pure SB; E. Fragmentation pathways of SB; F. Typical TIC chromatogram of blank mouse plasma; G. Typical TIC chromatogram of mouse plasma after oral administration of SB (20mg/kg) at 3 h; H. Typical TIC chromatogram of blank mouse testis; I. Typical TIC chromatograms of mouse testis after oral administration of SB (20mg/kg) at 3 h. The studies (J-K) were performed by gene sequence profiling on the testicular samples of oligoasthenospermia mice (OM) after oral administration of SB (20mg/kg/d for 2 weeks; n = 3) or WP (1.56g/kg/d for 2 weeks; n = 3): J. Gene heatmaps for the most significant up- and downregulated genes (each 50 genes) in the testicular samples from OM after oral treatment with WP (1.56g/kg/d for 2 weeks; n = 3) or SB (20mg/kg/d for 2 weeks; n = 3). Red color indicates the upregulated genes; Blue color indicates the downregulated genes. K. Pearson correlation of the regulated gene log-folds between WP and SB. r represents correlation coefficient.

    Journal: bioRxiv

    Article Title: Schisandrin B for treatment of male infertility

    doi: 10.1101/2020.01.20.912147

    Figure Lengend Snippet: Schisandrin B is identified as a potent agent for treatment of male fertility Notes: The studies (A-B) were performed by simulation and statistical analyses in accordance with measurements on the methanol extract of Wuzi Yanzong-Pill (WP) by UPLC-ESI-LTQ-Orbitrap-MS. A. Similarity scores of drug molecular structures for 106 major compounds extracted from WP. The study was performed for evaluating the druggability for each component by software of Medchem Studio v3.0 (Simulations Plus, Inc., Lancaster, CA). The result reveals that schisandrin B (SB) along with 21 other components has been listed in the higher score in evaluating the druggability. B. Factor comprehensive score of SB among 22 compounds which have higher similarity scores of drug molecular structures. The study was performed for further screening the drug candidate with the Factor Analysis with software of SPSS v 20 (IBM, Armonk, NY). Factor 1, the similarity scores of drug molecular structures; Factor 2, the relative abundances of a compound among 22 compounds extracted from WP. The result indicates that SB has the highest druggability among them in evaluating the factor comprehensive score. The studies (C-I) were analyzed by UPLC-ESI-LTQ-Orbitrap-MS: C. Typical total ion chromatogram (TIC) of pure SB; D. Triple fragment spectra of pure SB; E. Fragmentation pathways of SB; F. Typical TIC chromatogram of blank mouse plasma; G. Typical TIC chromatogram of mouse plasma after oral administration of SB (20mg/kg) at 3 h; H. Typical TIC chromatogram of blank mouse testis; I. Typical TIC chromatograms of mouse testis after oral administration of SB (20mg/kg) at 3 h. The studies (J-K) were performed by gene sequence profiling on the testicular samples of oligoasthenospermia mice (OM) after oral administration of SB (20mg/kg/d for 2 weeks; n = 3) or WP (1.56g/kg/d for 2 weeks; n = 3): J. Gene heatmaps for the most significant up- and downregulated genes (each 50 genes) in the testicular samples from OM after oral treatment with WP (1.56g/kg/d for 2 weeks; n = 3) or SB (20mg/kg/d for 2 weeks; n = 3). Red color indicates the upregulated genes; Blue color indicates the downregulated genes. K. Pearson correlation of the regulated gene log-folds between WP and SB. r represents correlation coefficient.

    Article Snippet: Positive-ion mode was used, and operation parameters were: capillary voltage, 25 V; electrospray voltage, 4.0 kV; capillary temperature, 350°C; sheath gas, 30 (arbitrary units); auxiliary gas, 5 (arbitrary units); tube lens, 110 V. High-resolution full scan was used to scan samples with a resolution of 30,000 and a scanning mass range of 100 to 500 amu.

    Techniques: Software, Sequencing, Mouse Assay

    Targeted metabolomics profiles in the GBS patients, the multiple sclerosis (MS) patients, and the healthy controls (control). Extracted plasma from GBS patients (n = 38), MS patients (n = 22) and healthy controls (n = 40) were analyzed by LC-MS/MS and FIA-MS/MS in electrospray positive and negative ion mode. ( A ) The orthogonal partial least squares discriminant analysis (OPLS-DA) demonstrates a clear separation of metabolites between GBS, MS, and control cases (R2 = 0.503, Q2 = 0.338). ( B ) A Venn diagram was used to visualize the number of extremely different metabolites (p

    Journal: Scientific Reports

    Article Title: Disturbance of Plasma Lipid Metabolic Profile in Guillain-Barre Syndrome

    doi: 10.1038/s41598-017-08338-7

    Figure Lengend Snippet: Targeted metabolomics profiles in the GBS patients, the multiple sclerosis (MS) patients, and the healthy controls (control). Extracted plasma from GBS patients (n = 38), MS patients (n = 22) and healthy controls (n = 40) were analyzed by LC-MS/MS and FIA-MS/MS in electrospray positive and negative ion mode. ( A ) The orthogonal partial least squares discriminant analysis (OPLS-DA) demonstrates a clear separation of metabolites between GBS, MS, and control cases (R2 = 0.503, Q2 = 0.338). ( B ) A Venn diagram was used to visualize the number of extremely different metabolites (p

    Article Snippet: The analysis was performed in positive electrospray ionization mode with multiple reaction monitoring (Waters, Milford, USA).

    Techniques: Mass Spectrometry, Liquid Chromatography with Mass Spectroscopy

    Effect of LTA4H variants on gene expression and ex vivo LTB 4 production. a LTA4H mRNA levels in monocytes are not significantly different between carriers and non-carriers of the HapK or rs2540477 variants. Real-time PCR was carried out in triplicate and expression levels were normalized to GUSB as an endogenous control. b Monocytes isolated from carriers of HapK or rs2540477 produce significantly higher levels of LTB 4 than non-carriers. Monocytes were isolated from healthy subjects and stimulated with the calcium ionophore A23187 for 60 min. LTB 4 was measured in the supernatant by negative mode electrospray ionization tandem mass spectrometry. Data are shown as mean ± SE and the number of samples analyzed for each genotype is given in parentheses

    Journal: Human Genetics

    Article Title: Genetic contribution of the leukotriene pathway to coronary artery disease

    doi: 10.1007/s00439-011-0963-3

    Figure Lengend Snippet: Effect of LTA4H variants on gene expression and ex vivo LTB 4 production. a LTA4H mRNA levels in monocytes are not significantly different between carriers and non-carriers of the HapK or rs2540477 variants. Real-time PCR was carried out in triplicate and expression levels were normalized to GUSB as an endogenous control. b Monocytes isolated from carriers of HapK or rs2540477 produce significantly higher levels of LTB 4 than non-carriers. Monocytes were isolated from healthy subjects and stimulated with the calcium ionophore A23187 for 60 min. LTB 4 was measured in the supernatant by negative mode electrospray ionization tandem mass spectrometry. Data are shown as mean ± SE and the number of samples analyzed for each genotype is given in parentheses

    Article Snippet: Oxylipid analytes, including LTB4 , were chromatographically separated on an ultra-performance liquid chromatography system equipped with a 2.1 × 150 mm Acquity BEHC18 reversed phase column and quantified by negative mode electrospray ionization on a Quattro Micro tandem mass spectrometer (Waters, Inc.).

    Techniques: Expressing, Ex Vivo, Real-time Polymerase Chain Reaction, Isolation, Mass Spectrometry

    Detection of phosphorylated sphingosine analogs. (A) LC-HRMS verification of the identity of the clickable sphingosine analogs used and detection of a phosphorylation product of ω-N 3 -sphingosine catalyzed by SphK1 in vitro . Lipid extracts from incubation of 1-N 3 -sphingosine or ω-N 3 -sphingosine with SphK1 and ATP were chromatographically separated by HPLC and analyzed with a quadrupole-time-of-flight mass spectrometer (QTOF MS) operating in the positive electrospray ionization mode (ESI+). Chemical structures and mass spectra of ionized ω-N 3 -sphingosine (left), 1-N 3 -sphingosine (middle), and phosphorylated ω-N 3 -S1P (right) are shown. No phosphorylation product of 1-N 3 -sphingosine could be detected. The retention time (t R ) of each substance analyzed is given as inset (top left) in the respective mass spectrum. (B) Detection of ω-N 3 -sphingosine 1-phosphate in Chang cells by LC-MS/MS. Chang cells were incubated with either 1-N 3 -sphingosine or ω-N 3 -sphingosine (10 μM) for 17 h. Lipid extracts were analyzed by selected reaction monitoring (SRM) after positive electrospray ionization (ESI+). As expected, no phosphorylation product could be detected for 1-N 3 -sphingosine (not shown). On the other hand, both ω-N 3 -sphingosine (upper chromatogram) and ω-N 3 -S1P (lower chromatogram) were present in lipid extracts of Chang cells stimulated with ω-N 3 -sphingosine. Assuming similar MS/MS responses for precursor and phosphorylation product, a conversion of about 20% occurred under the given experimental conditions. Peaks are labeled with retention time. Structural formulas and MS/MS fragmentations monitored are given as insets. CID, collision-induced dissociation.

    Journal: Frontiers in Cellular and Infection Microbiology

    Article Title: A Role of Sphingosine in the Intracellular Survival of Neisseria gonorrhoeae

    doi: 10.3389/fcimb.2020.00215

    Figure Lengend Snippet: Detection of phosphorylated sphingosine analogs. (A) LC-HRMS verification of the identity of the clickable sphingosine analogs used and detection of a phosphorylation product of ω-N 3 -sphingosine catalyzed by SphK1 in vitro . Lipid extracts from incubation of 1-N 3 -sphingosine or ω-N 3 -sphingosine with SphK1 and ATP were chromatographically separated by HPLC and analyzed with a quadrupole-time-of-flight mass spectrometer (QTOF MS) operating in the positive electrospray ionization mode (ESI+). Chemical structures and mass spectra of ionized ω-N 3 -sphingosine (left), 1-N 3 -sphingosine (middle), and phosphorylated ω-N 3 -S1P (right) are shown. No phosphorylation product of 1-N 3 -sphingosine could be detected. The retention time (t R ) of each substance analyzed is given as inset (top left) in the respective mass spectrum. (B) Detection of ω-N 3 -sphingosine 1-phosphate in Chang cells by LC-MS/MS. Chang cells were incubated with either 1-N 3 -sphingosine or ω-N 3 -sphingosine (10 μM) for 17 h. Lipid extracts were analyzed by selected reaction monitoring (SRM) after positive electrospray ionization (ESI+). As expected, no phosphorylation product could be detected for 1-N 3 -sphingosine (not shown). On the other hand, both ω-N 3 -sphingosine (upper chromatogram) and ω-N 3 -S1P (lower chromatogram) were present in lipid extracts of Chang cells stimulated with ω-N 3 -sphingosine. Assuming similar MS/MS responses for precursor and phosphorylation product, a conversion of about 20% occurred under the given experimental conditions. Peaks are labeled with retention time. Structural formulas and MS/MS fragmentations monitored are given as insets. CID, collision-induced dissociation.

    Article Snippet: Briefly, chromatographic separations were performed with an Agilent 1260 Infinity HPLC coupled to an Agilent 6530 quadrupole-time-of-flight mass spectrometer (QTOF MS) operating in the positive electrospray ionization (ESI+) mode (Agilent Technologies, Waldbronn, Germany).

    Techniques: In Vitro, Incubation, High Performance Liquid Chromatography, Mass Spectrometry, Liquid Chromatography with Mass Spectroscopy, Tandem Mass Spectroscopy, Labeling

    Determination of reduction potentials of cSelS and cSelS U188C in GSH/GSSG redox buffers. The ratio of reduced and oxidized protein was determined by electrospray ionization mass spectroscopy. (A) A representative electrospray ionization mass spectrum of cSelS following incubation in a redox buffer poised at −232 mV and subsequent alkylation. The panel shows the charge state distribution of multiply charged ions [M+18H] 18+ to [M+22H] 22+ from m/z 680 to 870. (B) Deconvoluted spectrum. Molecular weights: alkylated cSelS 188Δ 15149 Da, oxidized cSelS 15300 Da and alkylated cSelS 15414 Da. (C) A representative electrospray ionization mass spectrum of cSelS U188C following incubation in a redox buffer poised at −209 mV and subsequent alkylation. The panel shows the charge state distribution of multiply charged ions [M+18H] 18+ to [M+22H] 22+ from m/z 685 to 870. (D) Deconvoluted spectrum. Molecular weights: oxidized cSelS U188C 15253 Da and alkylated cSelS U188C 15365 Da. Panels E and F display the resulting titration curves for (E) cSelS, reduction potential −234±1 mV; and (F) cSelS U188C, reduction potential −211±1 mV. The fraction of reduced protein is plotted against the buffer redox potential poised by the ratio of GSH to GSSG. The error bars represent the range of measurements (that is, highest and lowest values) among three repetitions, using two independent protein preparations.

    Journal: Biochemistry

    Article Title: The intrinsically disordered membrane protein selenoprotein S is a reductase in vitro

    doi: 10.1021/bi4001358

    Figure Lengend Snippet: Determination of reduction potentials of cSelS and cSelS U188C in GSH/GSSG redox buffers. The ratio of reduced and oxidized protein was determined by electrospray ionization mass spectroscopy. (A) A representative electrospray ionization mass spectrum of cSelS following incubation in a redox buffer poised at −232 mV and subsequent alkylation. The panel shows the charge state distribution of multiply charged ions [M+18H] 18+ to [M+22H] 22+ from m/z 680 to 870. (B) Deconvoluted spectrum. Molecular weights: alkylated cSelS 188Δ 15149 Da, oxidized cSelS 15300 Da and alkylated cSelS 15414 Da. (C) A representative electrospray ionization mass spectrum of cSelS U188C following incubation in a redox buffer poised at −209 mV and subsequent alkylation. The panel shows the charge state distribution of multiply charged ions [M+18H] 18+ to [M+22H] 22+ from m/z 685 to 870. (D) Deconvoluted spectrum. Molecular weights: oxidized cSelS U188C 15253 Da and alkylated cSelS U188C 15365 Da. Panels E and F display the resulting titration curves for (E) cSelS, reduction potential −234±1 mV; and (F) cSelS U188C, reduction potential −211±1 mV. The fraction of reduced protein is plotted against the buffer redox potential poised by the ratio of GSH to GSSG. The error bars represent the range of measurements (that is, highest and lowest values) among three repetitions, using two independent protein preparations.

    Article Snippet: Mass spectra were obtained using a QTOF Ultima (Waters, MA), operating under positive electrospray ionization (+ESI) mode, connected to an LC-20AD (Shimadzu, Kyoto, Japan).

    Techniques: Mass Spectrometry, Incubation, Titration

    Electrospray ionization (ESI) mass spectra of a compound 1 and b compound 2

    Journal: Forensic Toxicology

    Article Title: Spectroscopic characterization and crystal structures of two cathinone derivatives: N-ethyl-2-amino-1-phenylpropan-1-one (ethcathinone) hydrochloride and N-ethyl-2-amino-1-(4-chlorophenyl)propan-1-one (4-CEC) hydrochloride

    doi: 10.1007/s11419-016-0345-6

    Figure Lengend Snippet: Electrospray ionization (ESI) mass spectra of a compound 1 and b compound 2

    Article Snippet: Liquid chromatography–mass spectrometry (LC–MS) analysis of samples was performed on a Thermo Scientific TSQ Quantum Access Max LC–MS operating in positive electrospray ionization (ESI) mode (Thermo Scientific, Waltham, MA, USA).

    Techniques: