cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.6084/m9.figshare.13053352.v3
title: Transcriptomic analyses reveal comprehensive responses of insect hemocytes to mycopathogen Beauveria bassiana, and fungal virulence-related cell wall protein assists pathogen to evade host cellular defense

description: Entomopathogenic fungi naturally infect insect hosts in environment. Fungal invasion and host immune defense are still in the progress of co-evolution. In this study, entomopathogenic fungus <i>Beauveria bassiana</i> and lepidopteran insect <i>Galleria mellonella</i> were used to investigate host cellular immunity and fungal strategy to evade host defense. First of all, genome-wide expression revealed the transcriptomic responses of hemocytes to insect mycopathogen, which dynamically varied during infection process. Enrichment analysis indicated that differentially expressed genes were primarily involved in metabolism, cellular process and immune system. Notably, cellular response involved a series of hydrolytic enzyme and antimicrobial peptide genes which were sorted together in clustering analysis. In <i>B. bassiana</i>, a cell-wall protein gene (<i>BbCwp</i>) contributes to fungal development in host hemocoel and virulence. RT-qPCR analyses indicated that infection by Δ<i>BbCwp</i> mutant strain caused the up-regulated expression of a series of immunity-related genes, including β-1, 3-glucan recognition protein, hydrolytic enzyme and antimicrobial peptide genes. Disruption of <i>BbCwp</i> resulted in a significant change in conidial lectin-binding feature and the enhanced encapsulation by the host hemocytes. After being treated with hydrolytic enzymes, Δ<i>BbCwp</i> mutant displayed a significantly enhanced sensitivity to osmotic and oxidative stresses. In conclusion, fungal invasion initiates comprehensive physiological responses in the host hemocytes. For mycopathogen, cell-wall protein plays an important role in fungal evasion of immunity defense and colonization in host. Our studies provide an initial framework for exploring more mechanistic details about the fungus–host interaction.
DOI: 10.14272/dtzyblujgxjsfz-uhfffaoysa-l/chmo0000763
title: attenuated total reflectance Fourier transform infrared spectroscopy (ATR-FTIR) ()
title: InChI=1S/2C16H21N5.2BrH.Cu/c2*1-19(2)14-8-9-17-15-12(14)6-5-7-13(15)18-16-20(3)10-11-21(16)4;;;/h2*5-9H,10-11H2,1-4H3;2*1H;/q;;;;+2/p-2

description: dataset for attenuated total reflectance Fourier transform infrared spectroscopy (ATR-FTIR) IR (ATR, ṽ) = 3369 (vw), 2940 (w, ν(CHaliph.)), 2872 (w, ν(CHaliph.)), 2802 (vw), 1644 (m), 1586 (m), 1556 (s), 1516 (vs, ν(C=N)), 1482 (m), 1459 (m), 1413 (s), 1390 (vs), 1345 (m), 1290 (s), 1206 (m), 1128 (m), 1083 (w), 1065 (w), 1040 (w), 990 (m), 856 (w), 843 (w), 819 (m), 808 (m), 797 (m), 760 (m), 733 (w), 702 (w), 633 (w), 601 (w), 575 (m), 544 (w), 469 (w), 339 (w) cm-1
DOI: 10.6084/m9.figshare.12011328.v2
title: RpoS-regulated <i>SEN1538</i> gene promotes resistance to stress and influences <i>Salmonella enterica</i> serovar enteritidis virulence

description: <i>Salmonella enterica</i> serovar Enteritidis (<i>S</i>. Enteritidis; wild type (WT)) is a major cause of foodborne illness globally. The ability of this pathogen to survive stress inside and outside the host, such as encountering antimicrobial peptides and heat stress, determines the efficiency of enteric infection. These stressors concertedly trigger virulence factors encoded on <i>Salmonella</i> pathogenicity islands (SPIs). Although RpoS is a well-known central transcriptional stress and virulence regulator, functional information regarding the genes of the regulon is currently limited. Here, we identified <i>SEN1538</i> as a conserved RpoS-regulated gene belonging to the KGG protein superfamily. We further assessed its role in pathogenic stress responses and virulence. When <i>SEN1538</i> was deleted (Δ1538), the pathogen showed reduced survival during antimicrobial peptide introduction and heat stress at 55°C compared to WT. The mutant displayed 70% reduced invasion in the HCT116 colon epithelial cell line, 5-fold attenuated phagocytic survival in RAW264.7 cells, and downregulation of several SPI-1 and SPI-2 genes encoding the three secretion system apparatus and effector proteins. Δ1538 also showed decreased virulence compared to WT, demonstrated by its reduced bacterial counts in the feces, mLN, spleen, and cecum of C57BL/6 mice. Comparative transcriptomic analysis of Δ1538 against WT revealed 111 differentially regulated genes, 103 of which were downregulated (fold change ≤ −1.5, P &lt; 0.05). The majority of these genes were in clusters for metabolism, transporters, and pathogenesis, driving pathogenic stress responses and virulence. <i>SEN1538</i> is, therefore, an important virulence determinant contributing to the resilience of <i>S</i>. Enteritidis to stress factors during infection.
DOI: 10.6084/m9.figshare.12319658.v3
title: Host surface ectonucleotidase-CD73 and the opportunistic pathogen, <i>Porphyromonas gingivalis</i>, cross-modulation underlies a new homeostatic mechanism for chronic bacterial survival in human epithelial cells

description: Cell surface nucleotide-metabolizing enzyme, ectonucleotidase-CD73, has emerged as a central component of the cellular homeostatic-machinery that counterbalances the danger-molecule (extracellular-ATP)-driven proinflammatory response in immune cells. While the importance of CD73 in microbial host fitness and symbiosis is gradually being unraveled, there remains a significant gap in knowledge of CD73 and its putative role in epithelial cells. Here, we depict a novel host-pathogen adaptation mechanism where CD73 takes a center role in the intracellular persistence of <i>Porphyromonas gingivalis</i>, a major colonizer of oral mucosa, using human primary gingival epithelial cell (GEC) system. Temporal analyses revealed, upon invasion into the GECs, <i>P. gingivalis</i> can significantly elevate the host-surface CD73 activity and expression. The enhanced and active CD73 significantly increases <i>P. gingivalis</i> intracellular growth in the presence of substrate-AMP and simultaneously acts as a negative regulator of reactive oxygen species (ROS) generation upon eATP treatment. The inhibition of CD73 by siRNA or by a specific inhibitor markedly increases ROS production. Moreover, CD73 and <i>P. gingivalis</i> cross-signaling significantly modulates pro-inflammatory interleukin-6 (IL-6) in the GECs. Conversely, exogenous treatment of the infected GECs with IL-6 suppresses the intracellular bacteria via amplified ROS generation. However, the decreased bacterial levels can be restored by overexpressing functionally active CD73. Together, these findings illuminate how the local extracellular-purine-metabolism, in which CD73 serves as a core molecular switch, can alter intracellular microbial colonization resistance. Further, host-adaptive pathogens such as <i>P. gingivalis</i> can target host ectonucleotidases to disarm specific innate defenses for successful intracellular persistence in mucosal epithelia.
DOI: 10.14272/dtzyblujgxjsfz-uhfffaoysa-l.1
title: C32H42Br2CuN10
title: InChI=1S/2C16H21N5.2BrH.Cu/c2*1-19(2)14-8-9-17-15-12(14)6-5-7-13(15)18-16-20(3)10-11-21(16)4;;;/h2*5-9H,10-11H2,1-4H3;2*1H;/q;;;;+2/p-2

description: This dataset contains experimental data from a sample (InChI=1S/2C16H21N5.2BrH.Cu/c2*1-19(2)14-8-9-17-15-12(14)6-5-7-13(15)18-16-20(3)10-11-21(16)4;;;/h2*5-9H,10-11H2,1-4H3;2*1H;/q;;;;+2/p-2). The datasets from the following experiments are available: attenuated total reflectance Fourier transform infrared spectroscopy (ATR-FTIR) high-resolution electrospray ionisation mass spectrometry (HRESIMS)
DOI: 10.6084/m9.figshare.13053352
title: Transcriptomic analyses reveal comprehensive responses of insect hemocytes to mycopathogen Beauveria bassiana, and fungal virulence-related cell wall protein assists pathogen to evade host cellular defense

description: Entomopathogenic fungi naturally infect insect hosts in environment. Fungal invasion and host immune defense are still in the progress of co-evolution. In this study, entomopathogenic fungus <i>Beauveria bassiana</i> and lepidopteran insect <i>Galleria mellonella</i> were used to investigate host cellular immunity and fungal strategy to evade host defense. First of all, genome-wide expression revealed the transcriptomic responses of hemocytes to insect mycopathogen, which dynamically varied during infection process. Enrichment analysis indicated that differentially expressed genes were primarily involved in metabolism, cellular process and immune system. Notably, cellular response involved a series of hydrolytic enzyme and antimicrobial peptide genes which were sorted together in clustering analysis. In <i>B. bassiana</i>, a cell-wall protein gene (<i>BbCwp</i>) contributes to fungal development in host hemocoel and virulence. RT-qPCR analyses indicated that infection by Δ<i>BbCwp</i> mutant strain caused the up-regulated expression of a series of immunity-related genes, including β-1, 3-glucan recognition protein, hydrolytic enzyme and antimicrobial peptide genes. Disruption of <i>BbCwp</i> resulted in a significant change in conidial lectin-binding feature and the enhanced encapsulation by the host hemocytes. After being treated with hydrolytic enzymes, Δ<i>BbCwp</i> mutant displayed a significantly enhanced sensitivity to osmotic and oxidative stresses. In conclusion, fungal invasion initiates comprehensive physiological responses in the host hemocytes. For mycopathogen, cell-wall protein plays an important role in fungal evasion of immunity defense and colonization in host. Our studies provide an initial framework for exploring more mechanistic details about the fungus–host interaction.
DOI: 10.6084/m9.figshare.12011328.v1
title: RpoS-Regulated <i>SEN1538</i> Gene Promotes Resistance to Stress and Influences <i>Salmonella enterica</i> serovar Enteritidis Virulence

description: <i>Salmonella enterica</i> serovar Enteritidis (<i>S</i>. Enteritidis; wild type (WT)) is a major cause of foodborne illness globally. The ability of this pathogen to survive stress inside and outside the host, such as encountering antimicrobial peptides and heat stress, determines the efficiency of enteric infection. These stressors concertedly trigger virulence factors encoded on <i>Salmonella</i> pathogenicity islands (SPIs). Although RpoS is a well-known central transcriptional stress and virulence regulator, functional information regarding the genes of the regulon is currently limited. Here, we identified <i>SEN1538</i> as a conserved RpoS-regulated gene belonging to the KGG protein superfamily. We further assessed its role in pathogenic stress responses and virulence. When <i>SEN1538</i> was deleted (Δ1538), the pathogen showed reduced survival during antimicrobial peptide introduction and heat stress at 55 °C compared to WT. The mutant displayed 70% reduced invasion in the HCT116 colon epithelial cell line, 5-fold attenuated phagocytic survival in RAW264.7 cells, and downregulation of several SPI-1 and SPI-2 genes encoding the three secretion system apparatus and effector proteins. Δ1538 also showed decreased virulence compared to WT, demonstrated by its reduced bacterial counts in the feces, mLN, spleen, and cecum of C57BL/6 mice. Comparative transcriptomic analysis of Δ1538 against WT revealed 111 differentially regulated genes, 103 of which were downregulated (fold change ≤ -1.5, P &lt; 0.05). The majority of these genes were in clusters for metabolism, transporters, and pathogenesis, driving pathogenic stress responses and virulence. <i>SEN1538</i> is therefore an important virulence determinant contributing to the resilience of <i>S</i>. Enteritidis to stress factors during infection.
DOI: 10.6084/m9.figshare.12319658
title: Host surface ectonucleotidase-CD73 and the opportunistic pathogen, <i>Porphyromonas gingivalis</i>, cross-modulation underlies a new homeostatic mechanism for chronic bacterial survival in human epithelial cells

description: Cell surface nucleotide-metabolizing enzyme, ectonucleotidase-CD73, has emerged as a central component of the cellular homeostatic-machinery that counterbalances the danger-molecule (extracellular-ATP)-driven proinflammatory response in immune cells. While the importance of CD73 in microbial host fitness and symbiosis is gradually being unraveled, there remains a significant gap in knowledge of CD73 and its putative role in epithelial cells. Here, we depict a novel host-pathogen adaptation mechanism where CD73 takes a center role in the intracellular persistence of <i>Porphyromonas gingivalis</i>, a major colonizer of oral mucosa, using human primary gingival epithelial cell (GEC) system. Temporal analyses revealed, upon invasion into the GECs, <i>P. gingivalis</i> can significantly elevate the host-surface CD73 activity and expression. The enhanced and active CD73 significantly increases <i>P. gingivalis</i> intracellular growth in the presence of substrate-AMP and simultaneously acts as a negative regulator of reactive oxygen species (ROS) generation upon eATP treatment. The inhibition of CD73 by siRNA or by a specific inhibitor markedly increases ROS production. Moreover, CD73 and <i>P. gingivalis</i> cross-signaling significantly modulates pro-inflammatory interleukin-6 (IL-6) in the GECs. Conversely, exogenous treatment of the infected GECs with IL-6 suppresses the intracellular bacteria via amplified ROS generation. However, the decreased bacterial levels can be restored by overexpressing functionally active CD73. Together, these findings illuminate how the local extracellular-purine-metabolism, in which CD73 serves as a core molecular switch, can alter intracellular microbial colonization resistance. Further, host-adaptive pathogens such as <i>P. gingivalis</i> can target host ectonucleotidases to disarm specific innate defenses for successful intracellular persistence in mucosal epithelia.
DOI: 10.14272/dtzyblujgxjsfz-uhfffaoysa-l/chmo0000485
title: high-resolution electrospray ionisation mass spectrometry (HRESIMS) ()
title: InChI=1S/2C16H21N5.2BrH.Cu/c2*1-19(2)14-8-9-17-15-12(14)6-5-7-13(15)18-16-20(3)10-11-21(16)4;;;/h2*5-9H,10-11H2,1-4H3;2*1H;/q;;;;+2/p-2

description: dataset for high-resolution electrospray ionisation mass spectrometry (HRESIMS) HR-MS (ESI+, MeCN): m/z Isotropic distribution calcd. for [C32H42BrCuN10] [M-Br]+: 708.2076 (67) [C32H4279Br63CuN10], 709.2101 (26) [C3113CH4279Br63CuN10], 710.2058 (100) [C32H4281Br63CuN10], 711.2081 (38) [C3213CH4281Br63CuN10], 712.2049 (36) [C32H4281Br65CuN10], 713.2065 (12) [C3113CH4281Br65CuN10], 714.2088 (2) [C3013C2H4281Br65CuN10] found: 708.2081 (70), 709.2110 (35), 710.20635 (100), 711.2091 (38), 712.2053 (34), 713.2075 (11), 714.2101 (2).
DOI: 10.6084/m9.figshare.12864242.v3
title: Tobacco Hornworm (<i>Manduca sexta</i>) caterpillars as a novel host model for the study of fungal virulence and drug efficacy

description: The two leading yeast pathogens of humans, <i>Candida albicans</i> and <i>Cryptococcus neoformans</i>, cause systemic infections in &gt;1.4 million patients worldwide with mortality rates approaching 75%. It is thus imperative to study fungal virulence mechanisms, efficacy of antifungal drugs, and host response pathways. While this is commonly done in mammalian models, which are afflicted by ethical and practical concerns, invertebrate models, such as wax moth larvae and nematodes have been introduced over the last two decades. To complement existing invertebrate host models, we developed fifth instar caterpillars of the Tobacco Hornworm moth <i>Manduca sexta</i> as a novel host model. These caterpillars can be maintained at 37°C, are suitable for injections with defined amounts of yeast cells, and are susceptible to the most threatening yeast pathogens, including <i>C. albicans, C. neoformans, C. auris</i>, and <i>C. glabrata</i>. Importantly, fungal burden can be assessed daily throughout the course of infection in a single caterpillar’s feces and hemolymph. Infected caterpillars can be rescued by treatment with antifungal drugs. Notably, these animals are large enough for weight to provide a reliable and reproducible measure of fungal disease and to facilitate host tissue-specific expression analyses. <i>M. sexta</i> caterpillars combine a suite of parameters that make them suitable for the study of fungal virulence.
DOI: 10.6084/m9.figshare.12864242
title: Tobacco Hornworm (<i>Manduca sexta</i>) caterpillars as a novel host model for the study of fungal virulence and drug efficacy

description: The two leading yeast pathogens of humans, <i>Candida albicans</i> and <i>Cryptococcus neoformans</i>, cause systemic infections in &gt;1.4 million patients worldwide with mortality rates approaching 75%. It is thus imperative to study fungal virulence mechanisms, efficacy of antifungal drugs, and host response pathways. While this is commonly done in mammalian models, which are afflicted by ethical and practical concerns, invertebrate models, such as wax moth larvae and nematodes have been introduced over the last two decades. To complement existing invertebrate host models, we developed fifth instar caterpillars of the Tobacco Hornworm moth <i>Manduca sexta</i> as a novel host model. These caterpillars can be maintained at 37°C, are suitable for injections with defined amounts of yeast cells, and are susceptible to the most threatening yeast pathogens, including <i>C. albicans, C. neoformans, C. auris</i>, and <i>C. glabrata</i>. Importantly, fungal burden can be assessed daily throughout the course of infection in a single caterpillar’s feces and hemolymph. Infected caterpillars can be rescued by treatment with antifungal drugs. Notably, these animals are large enough for weight to provide a reliable and reproducible measure of fungal disease and to facilitate host tissue-specific expression analyses. <i>M. sexta</i> caterpillars combine a suite of parameters that make them suitable for the study of fungal virulence.
DOI: 10.14272/youqxgaefgzaob-uhfffaoysa-l/chmo0000763
title: attenuated total reflectance Fourier transform infrared spectroscopy (ATR-FTIR) ()
title: InChI=1S/2C16H23N5.2BrH.Cu/c2*1-19(2)14-10-11-17-15-12(14)8-7-9-13(15)18-16(20(3)4)21(5)6;;;/h2*7-11H,1-6H3;2*1H;/q;;;;+2/p-2

description: dataset for attenuated total reflectance Fourier transform infrared spectroscopy (ATR-FTIR) IR (ATR, ṽ) = 3060 (vw, ν(CHarom.)), 2944 (w, ν(CHaliph.)), 2873 (w, ν(CHaliph.)), 2798 (vw), 1565 (m), 1509 (vs, ν(C=N)), 1466 (m), 1398 (vs), 1383 (s), 1323 (s), 1295 (m), 1274 (w), 1231 (m), 1206 (m), 1167 (m), 1146 (m), 1132 (m), 1077 (w), 1045 (w), 981 (m), 926 (w), 904 (vw), 853 (m), 822 (m), 811 (m), 798 (w), 761 (m), 745 (w), 726 (w), 707 (w), 675 (vw), 614 (vw), 601 (vw), 571 (w), 533 (w), 512 (w), 469 (w), 375 (w) cm-1.
DOI: 10.14272/youqxgaefgzaob-uhfffaoysa-l.1
title: C32H46Br2CuN10
title: InChI=1S/2C16H23N5.2BrH.Cu/c2*1-19(2)14-10-11-17-15-12(14)8-7-9-13(15)18-16(20(3)4)21(5)6;;;/h2*7-11H,1-6H3;2*1H;/q;;;;+2/p-2

description: This dataset contains experimental data from a sample (InChI=1S/2C16H23N5.2BrH.Cu/c2*1-19(2)14-10-11-17-15-12(14)8-7-9-13(15)18-16(20(3)4)21(5)6;;;/h2*7-11H,1-6H3;2*1H;/q;;;;+2/p-2). The datasets from the following experiments are available: attenuated total reflectance Fourier transform infrared spectroscopy (ATR-FTIR) high-resolution electrospray ionisation time-of-flight mass spectrometry (HR-ESI-TOF-MS)
DOI: 10.14272/youqxgaefgzaob-uhfffaoysa-l/chmo0002541
title: high-resolution electrospray ionisation time-of-flight mass spectrometry (HR-ESI-TOF-MS) ()
title: InChI=1S/2C16H23N5.2BrH.Cu/c2*1-19(2)14-10-11-17-15-12(14)8-7-9-13(15)18-16(20(3)4)21(5)6;;;/h2*7-11H,1-6H3;2*1H;/q;;;;+2/p-2

description: dataset for high-resolution electrospray ionisation time-of-flight mass spectrometry (HR-ESI-TOF-MS) HR-MS (ESI+, MeOH): m/z Isotropic distribution calcd. for [C32H46BrCuN10] [M-Br]+: 712.2394 (66) [C32H4679Br63CuN10], 713.2420 (26) [C3113CH4679Br63CuN10], 714.2365 (100) [C32H4681Br63CuN10], 715.2390 (38) [C3113CH4681Br63CuN10], 716.2361 (37) [C32H4681Br65CuN10], 717.2380 (12) [C3113CH4681Br65CuN10] 718.2405 (2) [C3013C2H4681Br65CuN10], found: 712.2268 (70), 713.2296 (26), 714.2252 (100), 715.2278 (36), 716.2243 (34), 717.2262 (11), 718.2288 (2).
DOI: 10.14272/weixdbdwqopbpr-uhfffaoysa-l/chmo0000763
title: attenuated total reflectance Fourier transform infrared spectroscopy (ATR-FTIR) ()
title: InChI=1S/2C13H21N5.2BrH.Cu/c2*1-16(2)12-5-6-14-11(9-12)10-15-13-17(3)7-8-18(13)4;;;/h2*5-6,9H,7-8,10H2,1-4H3;2*1H;/q;;;;+2/p-2

description: dataset for attenuated total reflectance Fourier transform infrared spectroscopy (ATR-FTIR) IR (ATR, ṽ) = 3392 (m), 3045 (m, ν(CHarom.)), 2924 (m, ν(CHaliph.)), 2886 (m, ν(CHaliph.)), 1672 (m), 1616 (vs), 1592 (vs, ν(C=N)), 1529 (s), 1444 (s), 1428 (s), 1385 (s), 1351 (m), 1281 (s), 1225 (s), 1170 (m), 1140 (m), 1071 (m), 1023 (vs), 964 (m), 889 (m), 866 (m), 831 (s), 812 (m), 763 (m), 728 (m), 696 (s), 661 (m), 595 (m), 583 (m), 549 (m), 459 (m) cm-1.
DOI: 10.14272/weixdbdwqopbpr-uhfffaoysa-l/chmo0002541
title: high-resolution electrospray ionisation time-of-flight mass spectrometry (HR-ESI-TOF-MS) ()
title: InChI=1S/2C13H21N5.2BrH.Cu/c2*1-16(2)12-5-6-14-11(9-12)10-15-13-17(3)7-8-18(13)4;;;/h2*5-6,9H,7-8,10H2,1-4H3;2*1H;/q;;;;+2/p-2

description: dataset for high-resolution electrospray ionisation time-of-flight mass spectrometry (HR-ESI-TOF-MS) HRMS (ESI): m/z Isotropic distribution calcd. for [C26H42BrCuN10] [M-Br]+: 636.2078 (67) [C26 H42 79Br 63Cu N10], 637.21 (22) [C25 13C H42 79Br 63Cu N10], 638.2055 (100) [C26 H42 81Br 63Cu N10], 639.2075 (32) [C25 13C H42 81Br 63Cu N10], 640.2041 (34) [C26 H42 81Br 65Cu N10], 641.2069 (10) [C25 13C H42 81Br 65Cu N10], found: 636.2071 (69), 637.2099 (21), 638.2054 (100), 639.2081 (30), 640.2041 (32), 641.2065 (11).
DOI: 10.14272/weixdbdwqopbpr-uhfffaoysa-l.1
title: C26H42Br2CuN10
title: InChI=1S/2C13H21N5.2BrH.Cu/c2*1-16(2)12-5-6-14-11(9-12)10-15-13-17(3)7-8-18(13)4;;;/h2*5-6,9H,7-8,10H2,1-4H3;2*1H;/q;;;;+2/p-2

description: This dataset contains experimental data from a sample (InChI=1S/2C13H21N5.2BrH.Cu/c2*1-16(2)12-5-6-14-11(9-12)10-15-13-17(3)7-8-18(13)4;;;/h2*5-6,9H,7-8,10H2,1-4H3;2*1H;/q;;;;+2/p-2). The datasets from the following experiments are available: attenuated total reflectance Fourier transform infrared spectroscopy (ATR-FTIR) high-resolution electrospray ionisation time-of-flight mass spectrometry (HR-ESI-TOF-MS)
DOI: 10.14272/gfksvebrgyzbkn-uhfffaoysa-l.1
title: C13H23Br2CuN5
title: InChI=1S/C13H23N5.2BrH.Cu/c1-16(2)12-7-8-14-11(9-12)10-15-13(17(3)4)18(5)6;;;/h7-9H,10H2,1-6H3;2*1H;/q;;;+2/p-2

description: This dataset contains experimental data from a sample (InChI=1S/C13H23N5.2BrH.Cu/c1-16(2)12-7-8-14-11(9-12)10-15-13(17(3)4)18(5)6;;;/h7-9H,10H2,1-6H3;2*1H;/q;;;+2/p-2). The datasets from the following experiments are available: attenuated total reflectance Fourier transform infrared spectroscopy (ATR-FTIR) high-resolution electrospray ionisation time-of-flight mass spectrometry (HR-ESI-TOF-MS)
DOI: 10.14272/gfksvebrgyzbkn-uhfffaoysa-l/chmo0002541
title: high-resolution electrospray ionisation time-of-flight mass spectrometry (HR-ESI-TOF-MS) ()
title: InChI=1S/C13H23N5.2BrH.Cu/c1-16(2)12-7-8-14-11(9-12)10-15-13(17(3)4)18(5)6;;;/h7-9H,10H2,1-6H3;2*1H;/q;;;+2/p-2

description: dataset for high-resolution electrospray ionisation time-of-flight mass spectrometry (HR-ESI-TOF-MS) HR-MS (ESI) m/z: Isotropic distribution calcd. for C13H23BrCuN5 [M-Br]+: 391.0435 (69) [C13 H23 79Br 63Cu N5]+, 392.0463 (11) [C13 13C H23 79Br 63Cu N5]+, 393.0414 (100) [C13 H23 81Br 63Cu N5]+, 394.0442 (16) [C12 13C H23 81Br 63Cu N5]+, 395.0396 (32) [C13 H23 81Br 65Cu N5]+, 396.0423 (5) [C12 13C H23 81Br 65Cu N5]+, 397.0451 (1) [C11 13C2 H23 81Br 65Cu N5]+; found: 391.0428 (69), 392.0463 (9), 393.0408 (100), 394.0440 (14), 395.0389 (30), 396.0423 (4), 397.7128 (1).