cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.6084/m9.figshare.24270268
title: Supplementary Material for: Pediatric mesangial proliferative glomerulonephritis has increased the platelet thrombus formation potentials under high-shear flow condition

description: Introduction: Blood coagulation is associated with glomerulonephritis (GN) pathophysiology. Using whole-blood-based rotational thromboelastometry, we recently reported that the degree of hypercoagulability in pediatric patients with immunoglobulin A nephropathy (IgAN), a GN, might be associated with pathological severity. To further clarify the coagulation status of mesangial proliferative glomerulonephritis (MesPGN), we assessed the platelet thrombus formation (PTF) under high-shear flow using a microchip-based flow chamber system (T-TAS®). Methods: Thirty-four pediatric patients definitively diagnosed with MesPGN by renal biopsy at Nara Medical University Hospital between 2015 and 2022 were enrolled, and 29 patients (case group; median age, 8.0 years) were assessed. Microchips coated with collagen (PL-chip) were used to assess PTF at high-shear in whole blood. The times to increase by 10 and 30 kPa (T10 and T30) from baseline were calculated and compared with those of the pediatric controls. Changes in the parameters during the treatment course and the relationship between pathological severity and the parameters were evaluated. Results: T10 and T30 parameters in the PL-chip were significantly shorter and the area under the curves were greater in the case group than those in the control group (both p &lt;0.05). Each parameter was enhanced during the 3-week treatment but improved after the end of treatment. No significant relationship was observed between pathological severity and these parameters. Little PTF difference was observed between IgAN and Henoch-Schönlein purpura nephritis. Conclusions: Pediatric MesPGN increased the potential for PTF under high-shear flow conditions.
DOI: 10.5517/ccdc.csd.cc2cypst
title: CCDC 2203287: Experimental Crystal Structure Determination

description: Related Article: Y. Bai, P. Nasr, G. King, J. W. Reid, A. F. G. Leontowich, M. G. Corradini, R. G. Weiss, F.-I. Auzanneau, M. A. Rogers|2023|Nanoscale|15|16933|doi:10.1039/D3NR03988A
description: An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
DOI: 10.5517/ccdc.csd.cc2djy1y
title: CCDC 2220810: Experimental Crystal Structure Determination

description: Related Article: Noah D. McMillion, Quinton J. Bruch, Chun-Hsing Chen, Faraj Hasanayn, Alexander J. M. Miller|2023|Dalton Trans.|52|15115|doi:10.1039/D3DT02617E
description: An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
DOI: 10.5517/ccdc.csd.cc2djy2z
title: CCDC 2220811: Experimental Crystal Structure Determination

description: Related Article: Noah D. McMillion, Quinton J. Bruch, Chun-Hsing Chen, Faraj Hasanayn, Alexander J. M. Miller|2023|Dalton Trans.|52|15115|doi:10.1039/D3DT02617E
description: An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
DOI: 10.5517/ccdc.csd.cc2djy30
title: CCDC 2220812: Experimental Crystal Structure Determination

description: Related Article: Noah D. McMillion, Quinton J. Bruch, Chun-Hsing Chen, Faraj Hasanayn, Alexander J. M. Miller|2023|Dalton Trans.|52|15115|doi:10.1039/D3DT02617E
description: An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
DOI: 10.5517/ccdc.csd.cc2f4ftv
title: CCDC 2238597: Experimental Crystal Structure Determination

description: Related Article: Jiang He, Xiaoyong Chang, Chao Zou, Yanqin Yu, Shuang Han, Cuifang Wu, Sha Ou, Wei Lu, Kai Li|2023|J.Org.Chem.|88|14836|doi:10.1021/acs.joc.3c01818
description: An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
DOI: 10.5517/ccdc.csd.cc2f4fvw
title: CCDC 2238598: Experimental Crystal Structure Determination

description: Related Article: Jiang He, Xiaoyong Chang, Chao Zou, Yanqin Yu, Shuang Han, Cuifang Wu, Sha Ou, Wei Lu, Kai Li|2023|J.Org.Chem.|88|14836|doi:10.1021/acs.joc.3c01818
description: An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
DOI: 10.5517/ccdc.csd.cc2f4fwx
title: CCDC 2238599: Experimental Crystal Structure Determination

description: Related Article: Jiang He, Xiaoyong Chang, Chao Zou, Yanqin Yu, Shuang Han, Cuifang Wu, Sha Ou, Wei Lu, Kai Li|2023|J.Org.Chem.|88|14836|doi:10.1021/acs.joc.3c01818
description: An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
DOI: 10.6084/m9.figshare.24487279
title: Coworking space managers survey

description: Coworking spaces owners and managers survey results
DOI: 10.6084/m9.figshare.24487279.v1
title: Coworking space managers survey

description: Coworking spaces owners and managers survey results
DOI: 10.14272/oyffspilvqlrqa-uhfffaoysa-n/chmo0000593.1
title: 1H nuclear magnetic resonance spectroscopy (1H NMR) (3,6-ditert-butyl-9H-carbazole)
title: InChI=1S/C20H25N/c1-19(2,3)13-7-9-17-15(11-13)16-12-14(20(4,5)6)8-10-18(16)21-17/h7-12,21H,1-6H3

description: dataset for 1H nuclear magnetic resonance spectroscopy (1H NMR) 1H NMR (400 MHz, CDCl3 [7.27 ppm], ppm) δ = 8.10 (dd, 4J = 1.3 Hz, 5J = 0.5 Hz, 2H, CHar), 7.81 (s, 1H, NH), 7.48 (dd, 3J = 8.5 Hz, 4J = 1.9 Hz, 2H, CHar), 7.33 (d, 3J = 8.5 Hz, 2H, CHar), 1.47 (s, 18H, CH3).
DOI: 10.14272/oyffspilvqlrqa-uhfffaoysa-n/chmo0000470.1
title: mass spectrometry (MS) (3,6-ditert-butyl-9H-carbazole)
title: InChI=1S/C20H25N/c1-19(2,3)13-7-9-17-15(11-13)16-12-14(20(4,5)6)8-10-18(16)21-17/h7-12,21H,1-6H3

description: dataset for mass spectrometry (MS) MS (EI, 70 eV, 70 °C), m/z (%): 279 (51) [M]+, 265 (21), 264 (100), 248 (10), 208 (12).HRMS–EI (m/z): [M]+ calcd for C20H25N1 279.1982; found 279.1982.
DOI: 10.14272/oyffspilvqlrqa-uhfffaoysa-n/chmo0000595.1
title: 13C nuclear magnetic resonance spectroscopy (13C NMR) (3,6-ditert-butyl-9H-carbazole)
title: InChI=1S/C20H25N/c1-19(2,3)13-7-9-17-15(11-13)16-12-14(20(4,5)6)8-10-18(16)21-17/h7-12,21H,1-6H3

description: dataset for 13C nuclear magnetic resonance spectroscopy (13C NMR) 13C NMR (101 MHz, CDCl3 [77.16 ppm], ppm) δ = 142.4 (2C, Cq), 138.2 (2C, Cq), 123.7 (2C, CHar), 123.5 (2C, Cq), 116.3 (2C, CHar), 110.2 (2C, CHar), 34.8 (2C, Cq), 32.2 (6C, CH3).
DOI: 10.14272/oyffspilvqlrqa-uhfffaoysa-n/chmo0000596.1
title: distortionless enhancement with polarization transfer (DEPT) (3,6-ditert-butyl-9H-carbazole)
title: InChI=1S/C20H25N/c1-19(2,3)13-7-9-17-15(11-13)16-12-14(20(4,5)6)8-10-18(16)21-17/h7-12,21H,1-6H3

description: dataset for distortionless enhancement with polarization transfer (DEPT)
DOI: 10.14272/oyffspilvqlrqa-uhfffaoysa-n/chmo0000596
title: distortionless enhancement with polarization transfer (DEPT) (3,6-ditert-butyl-9H-carbazole)
title: InChI=1S/C20H25N/c1-19(2,3)13-7-9-17-15(11-13)16-12-14(20(4,5)6)8-10-18(16)21-17/h7-12,21H,1-6H3

description: dataset for distortionless enhancement with polarization transfer (DEPT)
DOI: 10.14272/oyffspilvqlrqa-uhfffaoysa-n/chmo0000630.1
title: infrared absorption spectroscopy (IR) (3,6-ditert-butyl-9H-carbazole)
title: InChI=1S/C20H25N/c1-19(2,3)13-7-9-17-15(11-13)16-12-14(20(4,5)6)8-10-18(16)21-17/h7-12,21H,1-6H3

description: dataset for infrared absorption spectroscopy (IR) IR (ATR, ṽ) = 3411, 2951, 2900, 2861, 1492, 1470, 1462, 1391, 1360, 1329, 1298, 1261, 1249, 1201, 1146, 1137, 1101, 1033, 922, 880, 833, 817, 745, 690, 642, 616, 483, 455, 422 cm–1.
DOI: 10.14272/oyffspilvqlrqa-uhfffaoysa-n.2
title: 3,6-ditert-butyl-9H-carbazole
title: InChI=1S/C20H25N/c1-19(2,3)13-7-9-17-15(11-13)16-12-14(20(4,5)6)8-10-18(16)21-17/h7-12,21H,1-6H3

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/C20H25N/c1-19(2,3)13-7-9-17-15(11-13)16-12-14(20(4,5)6)8-10-18(16)21-17/h7-12,21H,1-6H3, and canonical SMILES descriptor[cheminf_000007]: CC(c1ccc2c(c1)c1cc(ccc1[nH]2)C(C)(C)C)(C)C, and by the IUPAC name[cheminf_000107]: 3,6-ditert-butyl-9H-carbazole. The physical chemical entity[CHEBI_24431] has a component solvent[CHEBI_46787] which is described by the canonical SMILES descriptor[cheminf_000007]: 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-24152 The physical chemical entity[CHEBI_24431] can be described by the physical descriptors [CHEMINF_000025]: Melting point descriptor[CHEMINF_000256]: 220.0 - 225.0 (°C) 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:0000470 | mass spectrometry (MS) CHMO:0000630 | infrared absorption spectroscopy (IR) CHMO:0000595 | 13C nuclear magnetic resonance spectroscopy (13C NMR) CHMO:0000596 | distortionless enhancement with polarization transfer (DEPT) CHMO:0000596 | distortionless enhancement with polarization transfer (DEPT) 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: 10.4121/f74b503a-81d5-4187-b696-ba9c8133d2a3
title: Data underlying the article: Physiological and stoichiometric characterization of ethanol-based chain elongation in the absence of short-chain carboxylic acids

description: In this sub-experiment, the taxonomic composition of the chain-elongating microbial community was assessed at the beginning and end of the ethanol-only experiment. DNA was extracted from biomass pellets and the 16S rRNA was sequenced using amplicon sequencing. This dataset contains the amplicon sequences at the two different time points in FASTA format. Other measurement data is available in the supplementary materials of the article at: https://doi.org/10.1038/s41598-023-43682-x
DOI: 10.4121/f74b503a-81d5-4187-b696-ba9c8133d2a3.v1
title: Data underlying the article: Physiological and stoichiometric characterization of ethanol-based chain elongation in the absence of short-chain carboxylic acids

description: In this sub-experiment, the taxonomic composition of the chain-elongating microbial community was assessed at the beginning and end of the ethanol-only experiment. DNA was extracted from biomass pellets and the 16S rRNA was sequenced using amplicon sequencing. This dataset contains the amplicon sequences at the two different time points in FASTA format. Other measurement data is available in the supplementary materials of the article at: https://doi.org/10.1038/s41598-023-43682-x
DOI: 10.14272/vssfgrbidnauhk-uhfffaoysa-n/chmo0000596.1
title: distortionless enhancement with polarization transfer (DEPT) (2-bromo-3-phenylquinoxaline)
title: InChI=1S/C14H9BrN2/c15-14-13(10-6-2-1-3-7-10)16-11-8-4-5-9-12(11)17-14/h1-9H

description: dataset for distortionless enhancement with polarization transfer (DEPT)
DOI: 10.14272/vssfgrbidnauhk-uhfffaoysa-n/chmo0000470.3
title: mass spectrometry (MS) (2-bromo-3-phenylquinoxaline)
title: InChI=1S/C14H9BrN2/c15-14-13(10-6-2-1-3-7-10)16-11-8-4-5-9-12(11)17-14/h1-9H

description: dataset for mass spectrometry (MS) MS (EI, 70 eV, 50 °C), m/z (%): 286/284 (23/24) [M]+, 281 (11), 262 (13), 243 (13), 231 (19), 206 (15), 205 (100), 181 (38), 77 (12).HRMS–EI (m/z): [M]+ calcd for C14H9N279Br 283.9944; found 283.9943.
DOI: 10.14272/vssfgrbidnauhk-uhfffaoysa-n/chmo0000595.2
title: 13C nuclear magnetic resonance spectroscopy (13C NMR) (2-bromo-3-phenylquinoxaline)
title: InChI=1S/C14H9BrN2/c15-14-13(10-6-2-1-3-7-10)16-11-8-4-5-9-12(11)17-14/h1-9H

description: dataset for 13C nuclear magnetic resonance spectroscopy (13C NMR) 13C NMR (101 MHz, CDCl3 [77.16 ppm], ppm) δ = 154.7 (Cq), 142.0 (Cq), 141.0 (Cq), 139.3 (Cq), 138.0 (Cq), 131.0 (CHar), 130.8 (CHar), 129.8 (CHar), 129.8 ( CHar, 2C), 129.5 (CHar), 128.4 (CHar), 128.4 ( CHar, 2C).
DOI: 10.14272/vssfgrbidnauhk-uhfffaoysa-n/chmo0000596
title: distortionless enhancement with polarization transfer (DEPT) (2-bromo-3-phenylquinoxaline)
title: InChI=1S/C14H9BrN2/c15-14-13(10-6-2-1-3-7-10)16-11-8-4-5-9-12(11)17-14/h1-9H

description: dataset for distortionless enhancement with polarization transfer (DEPT)
DOI: 10.14272/vssfgrbidnauhk-uhfffaoysa-n/chmo0000593.2
title: 1H nuclear magnetic resonance spectroscopy (1H NMR) (2-bromo-3-phenylquinoxaline)
title: InChI=1S/C14H9BrN2/c15-14-13(10-6-2-1-3-7-10)16-11-8-4-5-9-12(11)17-14/h1-9H

description: dataset for 1H nuclear magnetic resonance spectroscopy (1H NMR) 1H NMR (400 MHz, CDCl3 [7.27 ppm], ppm) δ = 8.17–8.11 (m, 1H), 8.11–8.06 (m, 1H), 7.84–7.76 (m, 4H), 7.56–7.50 (m, 3H).Impurities (ppm): 5.29 (DCM), 1.59 (water).
DOI: 10.14272/vssfgrbidnauhk-uhfffaoysa-n/chmo0000630.2
title: infrared absorption spectroscopy (IR) (2-bromo-3-phenylquinoxaline)
title: InChI=1S/C14H9BrN2/c15-14-13(10-6-2-1-3-7-10)16-11-8-4-5-9-12(11)17-14/h1-9H

description: dataset for infrared absorption spectroscopy (IR) IR (ATR, ṽ) = 3098, 3058, 3029, 3004, 2931, 1953, 1939, 1645, 1608, 1555, 1531, 1494, 1479, 1459, 1442, 1384, 1332, 1293, 1278, 1268, 1242, 1215, 1157, 1145, 1132, 1102, 1077, 1027, 1000, 969, 911, 880, 785, 758, 715, 686, 622, 611, 584, 569, 551, 490, 475, 431, 399 cm–1.
DOI: 10.14272/vssfgrbidnauhk-uhfffaoysa-n.3
title: 2-bromo-3-phenylquinoxaline
title: InChI=1S/C14H9BrN2/c15-14-13(10-6-2-1-3-7-10)16-11-8-4-5-9-12(11)17-14/h1-9H

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/C14H9BrN2/c15-14-13(10-6-2-1-3-7-10)16-11-8-4-5-9-12(11)17-14/h1-9H, and canonical SMILES descriptor[cheminf_000007]: Brc1nc2ccccc2nc1c1ccccc1, and by the IUPAC name[cheminf_000107]: 2-bromo-3-phenylquinoxaline. The physical chemical entity[CHEBI_24431] has a component solvent[CHEBI_46787] which is described by the canonical SMILES descriptor[cheminf_000007]: 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-24128 The physical chemical entity[CHEBI_24431] can be described by the physical descriptors [CHEMINF_000025]: Melting point descriptor[CHEMINF_000256]: 152.0 - 153.0 (°C) 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:0000596 | distortionless enhancement with polarization transfer (DEPT) CHMO:0000596 | distortionless enhancement with polarization transfer (DEPT) CHMO:0000470 | mass spectrometry (MS) CHMO:0000630 | infrared absorption spectroscopy (IR) 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: 10.6084/m9.figshare.24411946
title: Supplementary Material for: Endotoxemia Correlates with Kidney Function and Length of Stay in Critically Ill Patients

description: Introduction: Endotoxin is a key driver of sepsis, which frequently causes acute kidney injury (AKI). However, endotoxins may also be found in non-bacteremic critically ill patients, likely from intestinal translocation. Pre-clinical models show that endotoxins can directly injure the kidneys, and in COVID-19 patients, endotoxemia correlated with AKI. We sought to determine correlations between endotoxemia and kidney and hospital outcomes in a broad group of critically ill patients. Methods: In this single center, serial prospective study, 124 predominantly Caucasian adult patients were recruited within 48 hours of admission to Stony Brook University Hospital Intensive Care Unit (ICU). Demographics, vital signs, laboratory data, and outcomes were collected. Circulating endotoxin was measured on day 1, 4, and 8 using the endotoxin activity assay (EAA). The association of EAA with outcomes was examined with EAA: (1) categorized as &lt;0.6, 0.6, and non-responders (NR); and (2) used as a continuous variable. Results: Patients with EAA 0.6 had a higher prevalence of proteinuria, and lower SaO2/FiO2 ratio versus patients with EAA &lt;0.6. EAA levels positively correlated with sCr levels on day 1. Patients whose EAA level stayed 0.6 had a slower decline in sCr compared to those whose EAA started at 0.6 and subsequently declined. Patients with AKI stage 1 and EAA 0.6 on day 1 showed slower decline in sCr compared to patients with stage 1 AKI and EAA &lt;0.6. EAA 0.6 and NR patients had longer hospital stay and delayed ICU discharge versus EAA &lt;0.6. Conclusions: High EAA levels correlated with worse kidney function and outcomes. Patients whose EAA levels fell, and those with AKI stage I and day 1 EAA &lt;0.6 recovered more quickly compared to those with EAA 0.6, suggesting that removal of circulating endotoxins may be beneficial in critically ill patients.
DOI: 10.14272/hcwooullnkjzht-uhfffaoysa-n/chmo0000593
title: 1H nuclear magnetic resonance spectroscopy (1H NMR) (2-tert-butyl-3-chloroquinoxaline)
title: InChI=1S/C12H13ClN2/c1-12(2,3)10-11(13)15-9-7-5-4-6-8(9)14-10/h4-7H,1-3H3

description: dataset for 1H nuclear magnetic resonance spectroscopy (1H NMR) 1H NMR (400 MHz, CDCl3 [7.27 ppm], ppm) δ = 8.07–8.00 (m, 1H, CHar), 8.00–7.91 (m, 1H, CHar), 7.74–7.68 (m, 2H, CHar), 1.62 (s, 9H, CH3).
DOI: 10.14272/hcwooullnkjzht-uhfffaoysa-n/chmo0000595
title: 13C nuclear magnetic resonance spectroscopy (13C NMR) (2-tert-butyl-3-chloroquinoxaline)
title: InChI=1S/C12H13ClN2/c1-12(2,3)10-11(13)15-9-7-5-4-6-8(9)14-10/h4-7H,1-3H3

description: dataset for 13C nuclear magnetic resonance spectroscopy (13C NMR) 13C NMR (101 MHz, CDCl3 [77.16 ppm], ppm) δ = 160.5 (Cq), 146.5 (Cq), 140.4 (Cq), 140.0 (Cq), 130.2 (CHar), 130.0 (CHar), 129.1 (CHar), 127.8 (CHar), 39.2 (Cq,tBu), 28.8 (3C, CH3).
DOI: 10.14272/hcwooullnkjzht-uhfffaoysa-n/chmo0000596.3
title: distortionless enhancement with polarization transfer (DEPT) (2-tert-butyl-3-chloroquinoxaline)
title: InChI=1S/C12H13ClN2/c1-12(2,3)10-11(13)15-9-7-5-4-6-8(9)14-10/h4-7H,1-3H3

description: dataset for distortionless enhancement with polarization transfer (DEPT)
DOI: 10.14272/hcwooullnkjzht-uhfffaoysa-n/chmo0000470
title: mass spectrometry (MS) (2-tert-butyl-3-chloroquinoxaline)
title: InChI=1S/C12H13ClN2/c1-12(2,3)10-11(13)15-9-7-5-4-6-8(9)14-10/h4-7H,1-3H3

description: dataset for mass spectrometry (MS) MS (EI, 70 eV, 30 °C), m/z (%): 222/220 (12/39) [M]+, 207 (36), 206 (14), 205 (100), 185 (13), 180 (12), 178 (34), 169 (17), 129 (44), 102 (23), 57 (13).HRMS–EI (m/z): [M]+ calcd for C12H13N235Cl 220.0762; found 220.0761.
DOI: 10.14272/hcwooullnkjzht-uhfffaoysa-n/chmo0000596.2
title: distortionless enhancement with polarization transfer (DEPT) (2-tert-butyl-3-chloroquinoxaline)
title: InChI=1S/C12H13ClN2/c1-12(2,3)10-11(13)15-9-7-5-4-6-8(9)14-10/h4-7H,1-3H3

description: dataset for distortionless enhancement with polarization transfer (DEPT)
DOI: 10.14272/hcwooullnkjzht-uhfffaoysa-n/chmo0000630
title: infrared absorption spectroscopy (IR) (2-tert-butyl-3-chloroquinoxaline)
title: InChI=1S/C12H13ClN2/c1-12(2,3)10-11(13)15-9-7-5-4-6-8(9)14-10/h4-7H,1-3H3

description: dataset for infrared absorption spectroscopy (IR) IR (ATR, ṽ) = 2959, 2934, 2910, 2871, 1561, 1545, 1477, 1460, 1394, 1363, 1329, 1292, 1272, 1241, 1204, 1167, 1128, 1101, 1021, 1001, 953, 935, 894, 866, 826, 788, 754, 647, 595, 560, 520, 507, 480, 401 cm–1.