cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.48420/22774880.v1
title: SEM image analysis of freeze-cast and lyophilised Ti<sub>3</sub>C<sub>2</sub>T<sub>z </sub>aerogels

description: The microstructure of freeze-cast (FC) and lyophilised Ti3C2Tz aerogels are analysed using SEM Image analysis is performed on the freeze-casts structure to quantify particle alignment within the aerogel using orientation parameters Dropcast dilute Ti3C2Tz nanoparticles from aqueous suspension are imaged to obtain a particle-size distribution with subsequent image analysis <br> All experimental details are uploaded in attached .pdf alongside full descriptions of the uploaded data.
DOI: 10.5281/zenodo.7919540
title: Multifaceted luminance gain control beyond photoreceptors in Drosophila

description: <strong>Data and code for the manuscript 'Multifaceted luminance gain control beyond photoreceptors in <em>Drosophila</em>'</strong> These resources are separated first by analysis themes (behavior, two-photon imaging and modeling), and at the second level, by figures, as of re-submission date of the manuscript (May 10th, 2023). Data and code required to visualize each figure panel are together in the corresponding folder.<br> Please follow the README file for further instructions. A bioRxiv preprint (see related identifier) is based on this dataset, however the figure order has been updated.
description: We acknowledge funding from the German Research Foundation (DFG) through the Emmy-Noether program (SI 1991/1-1), collaborative research center 1080 (project C06 to MS, C07 to JG), and the Max Planck Society (SS, JG).
DOI: 10.5281/zenodo.7919539
title: Multifaceted luminance gain control beyond photoreceptors in Drosophila

description: <strong>Data and code for the manuscript 'Multifaceted luminance gain control beyond photoreceptors in <em>Drosophila</em>'</strong> These resources are separated first by analysis themes (behavior, two-photon imaging and modeling), and at the second level, by figures, as of re-submission date of the manuscript (May 10th, 2023). Data and code required to visualize each figure panel are together in the corresponding folder.<br> Please follow the README file for further instructions. A bioRxiv preprint (see related identifier) is based on this dataset, however the figure order has been updated.
description: We acknowledge funding from the German Research Foundation (DFG) through the Emmy-Noether program (SI 1991/1-1), collaborative research center 1080 (project C06 to MS, C07 to JG), and the Max Planck Society (SS, JG).
DOI: 10.6084/m9.figshare.22794470
title: <strong>A cross-sectional study of HDM-associated allergic rhinitis patients treated with sublingual immunotherapy after COVID-19 infection: potential antiviral effects of sublingual immunotherapy（data）</strong>

description: This study aimed to differentiate the symptoms of allergic rhinitis (AR) and different treatment therapies [Sublingual immunotherapy (SLIT) and conventional therapy] in coronavirus disease 19 (COVID-19)-infected patients.
DOI: 10.6084/m9.figshare.22794470.v1
title: <strong>A cross-sectional study of HDM-associated allergic rhinitis patients treated with sublingual immunotherapy after COVID-19 infection: potential antiviral effects of sublingual immunotherapy（data）</strong>

description: This study aimed to differentiate the symptoms of allergic rhinitis (AR) and different treatment therapies [Sublingual immunotherapy (SLIT) and conventional therapy] in coronavirus disease 19 (COVID-19)-infected patients.
DOI: 10.6084/m9.figshare.22794538
title: Open-Source Repositories as Trust-Building Journalism Infrastructure: Examining the Use of GitHub by News Outlets to Promote Transparency, Innovation, and Collaboration

description: This study incorporates the concepts of transparency, innovation, and collaboration within a broader analytic lens of trust-building infrastructure and applies that lens to an examination of the use of GitHub by 124 prominent news outlets over more than a decade. It finds that (a) their use of GitHub is not widespread but several outlets do actively use it; (b) they use GitHub to open-source a mixture of technologies and journalistic materials; (c) their introductory project documentation routinely includes at least partial amounts of both ambient and disclosure forms of transparency, but rarely exhibits participatory transparency; (d) collaboration is almost non-existent in the vast majority of their repositories; and (e) there has been a decline in their use of GitHub and the collaboration affordances within their repositories in recent years. The study extends the transparency literature by adapting key concepts to journalism-adjacent infrastructure and offers empirical evidence about the innovativeness of open-source technologies originating from prominent news organizations and the amount of collaboration that occurs around them. This builds to an intervention that raises some questions about the direct impact of open-source repositories as trust-building infrastructure while drawing attention to less-considered but nevertheless useful performative functions that such infrastructure enables.
DOI: 10.6084/m9.figshare.22794538.v1
title: Open-Source Repositories as Trust-Building Journalism Infrastructure: Examining the Use of GitHub by News Outlets to Promote Transparency, Innovation, and Collaboration

description: This study incorporates the concepts of transparency, innovation, and collaboration within a broader analytic lens of trust-building infrastructure and applies that lens to an examination of the use of GitHub by 124 prominent news outlets over more than a decade. It finds that (a) their use of GitHub is not widespread but several outlets do actively use it; (b) they use GitHub to open-source a mixture of technologies and journalistic materials; (c) their introductory project documentation routinely includes at least partial amounts of both ambient and disclosure forms of transparency, but rarely exhibits participatory transparency; (d) collaboration is almost non-existent in the vast majority of their repositories; and (e) there has been a decline in their use of GitHub and the collaboration affordances within their repositories in recent years. The study extends the transparency literature by adapting key concepts to journalism-adjacent infrastructure and offers empirical evidence about the innovativeness of open-source technologies originating from prominent news organizations and the amount of collaboration that occurs around them. This builds to an intervention that raises some questions about the direct impact of open-source repositories as trust-building infrastructure while drawing attention to less-considered but nevertheless useful performative functions that such infrastructure enables.
DOI: 10.5281/zenodo.7917483
title: MUSES Fractional Vegetation Coverage (FVC) 8-Day Global 1km SIN Grid in 2007

description: The MUltiscale Satellite remotE Sensing (MUSES) product suite includes products with different spatial and temporal resolutions for parameters such as Normalized Difference Vegetation Index (NDVI), Near-Infrared Reflectance of Vegetation (NIRv), Leaf Area Index (LAI), Fraction of Absorbed Photosynthetically Active Radiation (FAPAR), Fractional Vegetation Coverage (FVC), Gross Primary Production (GPP), Net Primary Production (NPP). For more information about the MUSES products, please refer to this website (https://muses.bnu.edu.cn/). This dataset is the MUSES global FVC product at 1 km spatial resolution and 8-day temporal resolution. The MUSES FVC product is provided on a Sinusoidal grid and spans from 2000 to 2019 (continuously updated). It was generated from the MUSES LAI product at 1 km resolution and other ancillary information using the complement to unity of the transmittance of light through the entire canopy in the nadir viewing direction (Xiao <em>et al</em>., 2016). The MUSES FVC values are physically consistent with the corresponding MUSES LAI values. The MUSES FVC product is spatially complete and temporally continuous. This dataset is the MUSES FVC product in 2007. <em>Please <strong>click here</strong> to download the MUSES FVC product <strong>in 2006</strong></em>, <em>and <strong>click here</strong> to download the MUSES FVC product <strong>in 2008</strong></em>. <strong>Dataset Characteristics:</strong> Spatial Coverage: Global Temporal Coverage: 2007 Spatial Resolution: 1 km Temporal Resolution: 8 days Projection: Sinusoidal Data Format: HDF Scale: 0.004 Valid Range: 0 – 250 <strong>Citation </strong>(Please cite this paper whenever these data are used)<strong>:</strong> Xiao Zhiqiang, <em>et a</em>l. (2016). Estimating the Fractional Vegetation Cover from GLASS Leaf Area Index Product. <em>Remote Sensing</em>, 8, 337. If you have any questions, please contact Prof. Zhiqiang Xiao (zhqxiao@bnu.edu.cn).
DOI: 10.5281/zenodo.7917482
title: MUSES Fractional Vegetation Coverage (FVC) 8-Day Global 1km SIN Grid in 2007

description: The MUltiscale Satellite remotE Sensing (MUSES) product suite includes products with different spatial and temporal resolutions for parameters such as Normalized Difference Vegetation Index (NDVI), Near-Infrared Reflectance of Vegetation (NIRv), Leaf Area Index (LAI), Fraction of Absorbed Photosynthetically Active Radiation (FAPAR), Fractional Vegetation Coverage (FVC), Gross Primary Production (GPP), Net Primary Production (NPP). For more information about the MUSES products, please refer to this website (https://muses.bnu.edu.cn/). This dataset is the MUSES global FVC product at 1 km spatial resolution and 8-day temporal resolution. The MUSES FVC product is provided on a Sinusoidal grid and spans from 2000 to 2019 (continuously updated). It was generated from the MUSES LAI product at 1 km resolution and other ancillary information using the complement to unity of the transmittance of light through the entire canopy in the nadir viewing direction (Xiao <em>et al</em>., 2016). The MUSES FVC values are physically consistent with the corresponding MUSES LAI values. The MUSES FVC product is spatially complete and temporally continuous. This dataset is the MUSES FVC product in 2007. <em>Please <strong>click here</strong> to download the MUSES FVC product <strong>in 2006</strong></em>, <em>and <strong>click here</strong> to download the MUSES FVC product <strong>in 2008</strong></em>. <strong>Dataset Characteristics:</strong> Spatial Coverage: Global Temporal Coverage: 2007 Spatial Resolution: 1 km Temporal Resolution: 8 days Projection: Sinusoidal Data Format: HDF Scale: 0.004 Valid Range: 0 – 250 <strong>Citation </strong>(Please cite this paper whenever these data are used)<strong>:</strong> Xiao Zhiqiang, <em>et a</em>l. (2016). Estimating the Fractional Vegetation Cover from GLASS Leaf Area Index Product. <em>Remote Sensing</em>, 8, 337. If you have any questions, please contact Prof. Zhiqiang Xiao (zhqxiao@bnu.edu.cn).
DOI: 10.14272/osmxvzqqwfmtpk-pepzgxqesa-n/chmo0000596
title: distortionless enhancement with polarization transfer (DEPT) ()
title: InChI=1S/C18H26N2O6/c1-17(2)8-12(20-14(22)5-7-16(25)26)9-18(3,10-17)11-19-13(21)4-6-15(23)24/h4-7,12H,8-11H2,1-3H3,(H,19,21)(H,20,22)(H,23,24)(H,25,26)/b6-4-,7-5-

description: dataset for distortionless enhancement with polarization transfer (DEPT)
DOI: 10.14272/osmxvzqqwfmtpk-pepzgxqesa-n/chmo0000595
title: 13C nuclear magnetic resonance spectroscopy (13C NMR) ()
title: InChI=1S/C18H26N2O6/c1-17(2)8-12(20-14(22)5-7-16(25)26)9-18(3,10-17)11-19-13(21)4-6-15(23)24/h4-7,12H,8-11H2,1-3H3,(H,19,21)(H,20,22)(H,23,24)(H,25,26)/b6-4-,7-5-

description: dataset for 13C nuclear magnetic resonance spectroscopy (13C NMR) 13C NMR (125 MHz, DMSO-d6 [39.5 ppm], ppm) δ = 165.8 (1C), 165.6 (1C), 165.5 (1C), 164.4 (1C), 133.1 (1C), 132.6 (1C), 131.7 (1C), 131.5 (1C), 52.6 (1C), 46.6 (1C), 44.5 (1C), 42.9 (1C), 36.2 (1C), 34.8 (2C), 31.4 (1C), 27.3 (1C), 23.1 (1C).
DOI: 10.14272/osmxvzqqwfmtpk-pepzgxqesa-n/chmo0001150
title: 1H--1H correlation spectroscopy (1H-1H COSY) ()
title: InChI=1S/C18H26N2O6/c1-17(2)8-12(20-14(22)5-7-16(25)26)9-18(3,10-17)11-19-13(21)4-6-15(23)24/h4-7,12H,8-11H2,1-3H3,(H,19,21)(H,20,22)(H,23,24)(H,25,26)/b6-4-,7-5-

description: dataset for 1H--1H correlation spectroscopy (1H-1H COSY)
DOI: 10.14272/osmxvzqqwfmtpk-pepzgxqesa-n/chmo0000470
title: mass spectrometry (MS) ()
title: InChI=1S/C18H26N2O6/c1-17(2)8-12(20-14(22)5-7-16(25)26)9-18(3,10-17)11-19-13(21)4-6-15(23)24/h4-7,12H,8-11H2,1-3H3,(H,19,21)(H,20,22)(H,23,24)(H,25,26)/b6-4-,7-5-

description: dataset for mass spectrometry (MS) MS (APCI), m/z (%): 367 (5), 345 (100), 190 (83), 128 (62), 108 (24)
DOI: 10.14272/osmxvzqqwfmtpk-pepzgxqesa-n/chmo0000593
title: 1H nuclear magnetic resonance spectroscopy (1H NMR) ()
title: InChI=1S/C18H26N2O6/c1-17(2)8-12(20-14(22)5-7-16(25)26)9-18(3,10-17)11-19-13(21)4-6-15(23)24/h4-7,12H,8-11H2,1-3H3,(H,19,21)(H,20,22)(H,23,24)(H,25,26)/b6-4-,7-5-

description: dataset for 1H nuclear magnetic resonance spectroscopy (1H NMR) 1H NMR (500 MHz, DMSO-d6 [2.50 ppm], ppm) δ = 9.02 (d, J = 7.9 Hz, 1H), 8.97 (t, J = 6.3 Hz, 1H), 6.50 (d, J = 12.5 Hz, 1H), 6.38 (d, J = 12.5 Hz, 1H), 6.26 (dd, J = 0.6 Hz, J = 12.5 Hz, 2H), 4.02–3.96 (m, 1H), 3.00 (dq, J = 13.1 Hz, J = 6.4 Hz, 2H), 1.59–1.57 (m, 2H), 1.24 (d, J = 13.7 Hz, 1H), 1.10 (d, J = 14.0 Hz, 1H), 1.04 (s, 6H), 1.03–1.01 (m, 2H), 0.93 (s, 3H). Missing protons: carboxyl group (2H). Impurities: residue DMSO (2.54 ppm) and H2O (3.33 ppm).
DOI: 10.14272/osmxvzqqwfmtpk-pepzgxqesa-n/chmo0000630
title: infrared absorption spectroscopy (IR) ()
title: InChI=1S/C18H26N2O6/c1-17(2)8-12(20-14(22)5-7-16(25)26)9-18(3,10-17)11-19-13(21)4-6-15(23)24/h4-7,12H,8-11H2,1-3H3,(H,19,21)(H,20,22)(H,23,24)(H,25,26)/b6-4-,7-5-

description: dataset for infrared absorption spectroscopy (IR) IR (ATR, ṽ) = 3239 (w), 3070 (w), 2913 (w), 1704 (s), 1636 (m), 1580 (m), 1525 (vs), 1506 (vs), 1496 (vs), 1432 (m), 1409 (s), 1389 (s), 1319 (m), 1296 (s), 1263 (m), 1244 (w), 1222 (m), 1201 (w), 1189 (w), 1152 (w), 1121 (w), 1042 (m), 1003 (w), 979 (w), 904 (w), 882 (w), 853 (vs), 806 (w), 766 (w), 653 (w), 616 (vs), 597 (m), 579 (w), 503 (w), 488 (w) cm–1.
DOI: 10.14272/osmxvzqqwfmtpk-pepzgxqesa-n/chmo0000690
title: thermogravimetry (TG) ()
title: InChI=1S/C18H26N2O6/c1-17(2)8-12(20-14(22)5-7-16(25)26)9-18(3,10-17)11-19-13(21)4-6-15(23)24/h4-7,12H,8-11H2,1-3H3,(H,19,21)(H,20,22)(H,23,24)(H,25,26)/b6-4-,7-5-

description: dataset for thermogravimetry (TG)
DOI: 10.14272/bivybxkqjwpfnv-pepzgxqesa-n/chmo0000596
title: distortionless enhancement with polarization transfer (DEPT) ()
title: InChI=1S/C16H22N2O6/c19-13(4-6-15(21)22)17-9-11-2-1-3-12(8-11)10-18-14(20)5-7-16(23)24/h4-7,11-12H,1-3,8-10H2,(H,17,19)(H,18,20)(H,21,22)(H,23,24)/b6-4-,7-5-

description: dataset for distortionless enhancement with polarization transfer (DEPT)
DOI: 10.14272/bivybxkqjwpfnv-pepzgxqesa-n/chmo0001150
title: 1H--1H correlation spectroscopy (1H-1H COSY) ()
title: InChI=1S/C16H22N2O6/c19-13(4-6-15(21)22)17-9-11-2-1-3-12(8-11)10-18-14(20)5-7-16(23)24/h4-7,11-12H,1-3,8-10H2,(H,17,19)(H,18,20)(H,21,22)(H,23,24)/b6-4-,7-5-

description: dataset for 1H--1H correlation spectroscopy (1H-1H COSY)
DOI: 10.14272/bivybxkqjwpfnv-pepzgxqesa-n/chmo0000470
title: mass spectrometry (MS) ()
title: InChI=1S/C16H22N2O6/c19-13(4-6-15(21)22)17-9-11-2-1-3-12(8-11)10-18-14(20)5-7-16(23)24/h4-7,11-12H,1-3,8-10H2,(H,17,19)(H,18,20)(H,21,22)(H,23,24)/b6-4-,7-5-

description: dataset for mass spectrometry (MS) MS (APCI), m/z (%): 336 (5) [M-2H]+, 335 (7), 322 (9), 321 (19), 305 (6), 304 (25), 303 (48), 284 (8), 282 (6), 271 (7), 242 (5), 241 (27), 225 (8), 224 (60), 223 (98), 209 (6), 207 (11), 206 (18), 197 (6), 189 (5), 181 (5), 174 (5), 171 (5), 162 (7), 157 (8), 154 (5), 147 (5), 144 (9), 143 (15), 142 (6), 139 (5), 128 (9), 127 (42), 126 (100), 125 (8), 114 (7), 111 (5), 110 (31), 109 (78), 105 (5)
DOI: 10.14272/bivybxkqjwpfnv-pepzgxqesa-n.1
title: C16H22N2O6
title: InChI=1S/C16H22N2O6/c19-13(4-6-15(21)22)17-9-11-2-1-3-12(8-11)10-18-14(20)5-7-16(23)24/h4-7,11-12H,1-3,8-10H2,(H,17,19)(H,18,20)(H,21,22)(H,23,24)/b6-4-,7-5-

description: This is a physical chemical entity[CHEBI_24431] associated with a molecule[CHEBI_25367]. The molecule[CHEBI_25367] can be described by the following structural desciptors[cheminf_000085]: InChI descriptor[cheminf_000113]: InChI=1S/C16H22N2O6/c19-13(4-6-15(21)22)17-9-11-2-1-3-12(8-11)10-18-14(20)5-7-16(23)24/h4-7,11-12H,1-3,8-10H2,(H,17,19)(H,18,20)(H,21,22)(H,23,24)/b6-4-,7-5-, and canonical SMILES descriptor[cheminf_000007]: O=C(/C=C\C(=O)O)NCC1CCCC(C1)CNC(=O)/C=C\C(=O)O, and by the IUPAC name[cheminf_000107]: . The physical chemical entity[CHEBI_24431] has a component solvent[CHEBI_46787] which is described by the canonical SMILES descriptor[cheminf_000007]: O=C(/C=C\C(=O)O)NCC1CCCC(C1)CNC(=O)/C=C\C(=O)O The physical chemical entity[CHEBI_24431] has the following Sample ID as registered in the research data repository chemotion (www.chemotion-repository.net, https://doi.org/10.25504/FAIRsharing.iagXcR): CRS-15031 The physical chemical entity[CHEBI_24431] can be described by the physical descriptors [CHEMINF_000025]: Melting point descriptor[CHEMINF_000256]: Boiling point descriptor[CHEMINF_000257]: Refractive index descriptor[CHEMINF_000253]: The physical chemical entity[CHEBI_24431] can be further described by the following assays[OBI:0000070][CHMO:0001133]: CHMO:0000593 | 1H nuclear magnetic resonance spectroscopy (1H NMR) CHMO:0000595 | 13C nuclear magnetic resonance spectroscopy (13C NMR) CHMO:0001150 | 1H--1H correlation spectroscopy (1H-1H COSY) CHMO:0000596 | distortionless enhancement with polarization transfer (DEPT) CHMO:0000630 | infrared absorption spectroscopy (IR) CHMO:0000470 | mass spectrometry (MS) CHMO:0000690 | thermogravimetry (TG) The physical chemical entity[CHEBI_24431] was deposited to the Molecule Archive of the Karlsruhe Insitute of Technology (KIT) with the following Sample ID: Used ontologies: CHEBI - Chemical Entities of Biological Interest CHEMINF - chemical information ontology (information entities about chemical entities) CHMO - Chemical Methods Ontology OBI - Ontology for Biomedical Investigations
DOI: 10.14272/bivybxkqjwpfnv-pepzgxqesa-n/chmo0000593
title: 1H nuclear magnetic resonance spectroscopy (1H NMR) ()
title: InChI=1S/C16H22N2O6/c19-13(4-6-15(21)22)17-9-11-2-1-3-12(8-11)10-18-14(20)5-7-16(23)24/h4-7,11-12H,1-3,8-10H2,(H,17,19)(H,18,20)(H,21,22)(H,23,24)/b6-4-,7-5-

description: dataset for 1H nuclear magnetic resonance spectroscopy (1H NMR) 1H NMR (500 MHz, DMSO-d6 [2.50 ppm], ppm) δ = 9.13 (s, 2H), 6.42 (d, J = 12.5 Hz, 2H), 6.24 (d, J = 12.8 Hz, 2H), 3.04 (dt, J = 4.1 Hz, J = 6.1 Hz, 4H), 1.70 (t, J = 13.9 Hz, 4H), 1.49–1.44 (m, 2H), 1.18 (q, J = 12.7 Hz, 1H), 0.86–0.78 (m, 2H), 0.61 (q, J = 12.2 Hz, 1H). Missing protons: carboxyl group (2H). Impurities: residue DMSO (2.54 ppm) and H2O (3.33 ppm).
DOI: 10.14272/bivybxkqjwpfnv-pepzgxqesa-n/chmo0000690
title: thermogravimetry (TG) ()
title: InChI=1S/C16H22N2O6/c19-13(4-6-15(21)22)17-9-11-2-1-3-12(8-11)10-18-14(20)5-7-16(23)24/h4-7,11-12H,1-3,8-10H2,(H,17,19)(H,18,20)(H,21,22)(H,23,24)/b6-4-,7-5-

description: dataset for thermogravimetry (TG)
DOI: 10.14272/bivybxkqjwpfnv-pepzgxqesa-n/chmo0000595
title: 13C nuclear magnetic resonance spectroscopy (13C NMR) ()
title: InChI=1S/C16H22N2O6/c19-13(4-6-15(21)22)17-9-11-2-1-3-12(8-11)10-18-14(20)5-7-16(23)24/h4-7,11-12H,1-3,8-10H2,(H,17,19)(H,18,20)(H,21,22)(H,23,24)/b6-4-,7-5-

description: dataset for 13C nuclear magnetic resonance spectroscopy (13C NMR) 13C NMR (125 MHz, DMSO-d6 [39.5 ppm], ppm) δ = 165.6 (4C), 133.0 (2C), 131.8 (2C), 45.6 (2C), 36.9 (2C), 34.6 (1C), 30.2 (2C), 24.9 (1C). Impurities: residue DMSO (40.4 ppm).
DOI: 10.14272/bivybxkqjwpfnv-pepzgxqesa-n/chmo0000630
title: infrared absorption spectroscopy (IR) ()
title: InChI=1S/C16H22N2O6/c19-13(4-6-15(21)22)17-9-11-2-1-3-12(8-11)10-18-14(20)5-7-16(23)24/h4-7,11-12H,1-3,8-10H2,(H,17,19)(H,18,20)(H,21,22)(H,23,24)/b6-4-,7-5-

description: dataset for infrared absorption spectroscopy (IR) IR (ATR, ṽ) = 3331 (w), 2930 (w), 2913 (vw), 1704 (s), 1619 (s), 1537 (vs), 1531 (vs), 1506 (vs), 1436 (s), 1428 (s), 1397 (m), 1374 (m), 1362 (m), 1329 (w), 1294 (m), 1275 (s), 1240 (m), 1211 (s), 1156 (w), 1133 (w), 1061 (w), 1034 (w), 1001 (w), 974 (m), 931 (w), 880 (w), 853 (vs), 696 (w), 641 (m), 616 (vs), 595 (s), 575 (w), 478 (m), 447 (w), 426 (vs), 404 (w) cm–1.
DOI: 10.14272/wpubwluskqxznq-sfecmwdfsa-n/chmo0001150
title: 1H--1H correlation spectroscopy (1H-1H COSY) ((Z)-4-[6-[[(Z)-3-carboxyprop-2-enoyl]amino]hexylamino]-4-oxobut-2-enoic acid)
title: InChI=1S/C14H20N2O6/c17-11(5-7-13(19)20)15-9-3-1-2-4-10-16-12(18)6-8-14(21)22/h5-8H,1-4,9-10H2,(H,15,17)(H,16,18)(H,19,20)(H,21,22)/b7-5-,8-6-

description: dataset for 1H--1H correlation spectroscopy (1H-1H COSY)
DOI: 10.14272/wpubwluskqxznq-sfecmwdfsa-n/chmo0000630
title: infrared absorption spectroscopy (IR) ((Z)-4-[6-[[(Z)-3-carboxyprop-2-enoyl]amino]hexylamino]-4-oxobut-2-enoic acid)
title: InChI=1S/C14H20N2O6/c17-11(5-7-13(19)20)15-9-3-1-2-4-10-16-12(18)6-8-14(21)22/h5-8H,1-4,9-10H2,(H,15,17)(H,16,18)(H,19,20)(H,21,22)/b7-5-,8-6-

description: dataset for infrared absorption spectroscopy (IR) IR (ATR, ṽ) = 3284 (w), 2956 (w), 1706 (m), 1625 (s), 1584 (m), 1525 (s), 1467 (vs), 1448 (vs), 1399 (s), 1366 (s), 1337 (s), 1288 (s), 1248 (s), 1228 (s), 1197 (vs), 1168 (s), 1053 (vs), 991 (m), 952 (m), 890 (s), 863 (vs), 787 (s), 733 (w), 684 (s), 632 (vs), 591 (vs), 488 (w), 439 (vs) cm–1.
DOI: 10.14272/wpubwluskqxznq-sfecmwdfsa-n/chmo0000470
title: mass spectrometry (MS) ((Z)-4-[6-[[(Z)-3-carboxyprop-2-enoyl]amino]hexylamino]-4-oxobut-2-enoic acid)
title: InChI=1S/C14H20N2O6/c17-11(5-7-13(19)20)15-9-3-1-2-4-10-16-12(18)6-8-14(21)22/h5-8H,1-4,9-10H2,(H,15,17)(H,16,18)(H,19,20)(H,21,22)/b7-5-,8-6-

description: dataset for mass spectrometry (MS) MS (APCI), m/z (%): 296 (5), 295 (13), 279 (8), 278 (47), 277 (75), 271 (8), 269 (8), 258 (10), 257 (14), 242 (7), 223 (5), 215 (8), 208 (5), 207 (5), 202 (7), 201 (8), 199 (5), 198 (22), 197 (53), 196 (13), 189 (16), 187 (5), 181 (9), 180 (24), 172 (10), 171 (5), 158 (8), 157 (12), 149 (6), 147 (5), 143 (6), 142 (8), 125 (8), 124 (5), 120 (13), 115 (8), 111 (11), 110 (100), 109 (16), 108 (6), 105 (6), 101 (7), 100 (13)
DOI: 10.14272/wpubwluskqxznq-sfecmwdfsa-n/chmo0000596
title: distortionless enhancement with polarization transfer (DEPT) ((Z)-4-[6-[[(Z)-3-carboxyprop-2-enoyl]amino]hexylamino]-4-oxobut-2-enoic acid)
title: InChI=1S/C14H20N2O6/c17-11(5-7-13(19)20)15-9-3-1-2-4-10-16-12(18)6-8-14(21)22/h5-8H,1-4,9-10H2,(H,15,17)(H,16,18)(H,19,20)(H,21,22)/b7-5-,8-6-

description: dataset for distortionless enhancement with polarization transfer (DEPT)
DOI: 10.14272/wpubwluskqxznq-sfecmwdfsa-n/chmo0000593
title: 1H nuclear magnetic resonance spectroscopy (1H NMR) ((Z)-4-[6-[[(Z)-3-carboxyprop-2-enoyl]amino]hexylamino]-4-oxobut-2-enoic acid)
title: InChI=1S/C14H20N2O6/c17-11(5-7-13(19)20)15-9-3-1-2-4-10-16-12(18)6-8-14(21)22/h5-8H,1-4,9-10H2,(H,15,17)(H,16,18)(H,19,20)(H,21,22)/b7-5-,8-6-

description: dataset for 1H nuclear magnetic resonance spectroscopy (1H NMR) 1H NMR (400 MHz, DMSO-d6 [2.50 ppm], ppm) δ = 9.19 (s, 2H), 6.41 (d, J = 12.7 Hz, 2H), 6.24 (d, J = 12.7 Hz, 2H), 3.18 (dd, J = 6.8 Hz, J = 12.5 Hz, 4H), 1.49–1.46 (m, 4H), 1.32–1.29 (m, 4H).Missing protons: carboxyl group (2H)Impurities: residue DMSO (2.54 ppm) and H2O (3.33 ppm)
DOI: 10.14272/wpubwluskqxznq-sfecmwdfsa-n/chmo0000595
title: 13C nuclear magnetic resonance spectroscopy (13C NMR) ((Z)-4-[6-[[(Z)-3-carboxyprop-2-enoyl]amino]hexylamino]-4-oxobut-2-enoic acid)
title: InChI=1S/C14H20N2O6/c17-11(5-7-13(19)20)15-9-3-1-2-4-10-16-12(18)6-8-14(21)22/h5-8H,1-4,9-10H2,(H,15,17)(H,16,18)(H,19,20)(H,21,22)/b7-5-,8-6-

description: dataset for 13C nuclear magnetic resonance spectroscopy (13C NMR) 13C NMR (100 MHz, DMSO-d6 [39.5 ppm], ppm) δ = 165.4 (2C), 165.3 (2C), 133.0 (2C), 131.7 (2C), 39.1 (2C), 28.2 (2C), 25.9 (2C). Impurities: residue DMSO (40.4 ppm)