cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.14272/abtzhdqwmuxifw-uhfffaoysa-n.1
title: 3-phenylquinoxalin-2-amine
title: InChI=1S/C14H11N3/c15-14-13(10-6-2-1-3-7-10)16-11-8-4-5-9-12(11)17-14/h1-9H,(H2,15,17)

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/C14H11N3/c15-14-13(10-6-2-1-3-7-10)16-11-8-4-5-9-12(11)17-14/h1-9H,(H2,15,17), and canonical SMILES descriptor[cheminf_000007]: Nc1nc2ccccc2nc1c1ccccc1, and by the IUPAC name[cheminf_000107]: 3-phenylquinoxalin-2-amine.
 
 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-8238

 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:0000630 | infrared absorption spectroscopy (IR)
 
 CHMO:0000470 | mass spectrometry (MS)
 
 CHMO:0000595 | 13C nuclear magnetic resonance spectroscopy (13C NMR)
 
 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/abtzhdqwmuxifw-uhfffaoysa-n/chmo0000470
title: mass spectrometry (MS) (3-phenylquinoxalin-2-amine)
title: InChI=1S/C14H11N3/c15-14-13(10-6-2-1-3-7-10)16-11-8-4-5-9-12(11)17-14/h1-9H,(H2,15,17)

description: dataset for mass spectrometry (MS)
DOI: 10.14272/abtzhdqwmuxifw-uhfffaoysa-n/chmo0000593
title: 1H nuclear magnetic resonance spectroscopy (1H NMR) (3-phenylquinoxalin-2-amine)
title: InChI=1S/C14H11N3/c15-14-13(10-6-2-1-3-7-10)16-11-8-4-5-9-12(11)17-14/h1-9H,(H2,15,17)

description: dataset for 1H nuclear magnetic resonance spectroscopy (1H NMR)
DOI: 10.14272/abtzhdqwmuxifw-uhfffaoysa-n/chmo0000595
title: 13C nuclear magnetic resonance spectroscopy (13C NMR) (3-phenylquinoxalin-2-amine)
title: InChI=1S/C14H11N3/c15-14-13(10-6-2-1-3-7-10)16-11-8-4-5-9-12(11)17-14/h1-9H,(H2,15,17)

description: dataset for 13C nuclear magnetic resonance spectroscopy (13C NMR)
DOI: 10.14272/abtzhdqwmuxifw-uhfffaoysa-n/chmo0000630
title: infrared absorption spectroscopy (IR) (3-phenylquinoxalin-2-amine)
title: InChI=1S/C14H11N3/c15-14-13(10-6-2-1-3-7-10)16-11-8-4-5-9-12(11)17-14/h1-9H,(H2,15,17)

description: dataset for infrared absorption spectroscopy (IR)
DOI: 10.14272/qwncdhyyjatyog-uhfffaoysa-n.1
title: 2-phenylquinoxaline
title: InChI=1S/C14H10N2/c1-2-6-11(7-3-1)14-10-15-12-8-4-5-9-13(12)16-14/h1-10H

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/C14H10N2/c1-2-6-11(7-3-1)14-10-15-12-8-4-5-9-13(12)16-14/h1-10H, and canonical SMILES descriptor[cheminf_000007]: c1ccc(cc1)c1cnc2c(n1)cccc2, and by the IUPAC name[cheminf_000107]: 2-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-8228

 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:0000630 | infrared absorption spectroscopy (IR)
 
 CHMO:0000470 | mass spectrometry (MS)
 
 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/qwncdhyyjatyog-uhfffaoysa-n/chmo0000593
title: 1H nuclear magnetic resonance spectroscopy (1H NMR) (2-phenylquinoxaline)
title: InChI=1S/C14H10N2/c1-2-6-11(7-3-1)14-10-15-12-8-4-5-9-13(12)16-14/h1-10H

description: dataset for 1H nuclear magnetic resonance spectroscopy (1H NMR)
DOI: 10.14272/msarkgvvmseuqd-uhfffaoysa-n/chmo0000470
title: mass spectrometry (MS) (4-methyl-4,5-dihydrotetrazolo[1,5-a]quinoxaline)
title: InChI=1S/C9H9N5/c1-6-9-11-12-13-14(9)8-5-3-2-4-7(8)10-6/h2-6,10H,1H3

description: dataset for mass spectrometry (MS)
DOI: 10.14272/msarkgvvmseuqd-uhfffaoysa-n/chmo0000593
title: 1H nuclear magnetic resonance spectroscopy (1H NMR) (4-methyl-4,5-dihydrotetrazolo[1,5-a]quinoxaline)
title: InChI=1S/C9H9N5/c1-6-9-11-12-13-14(9)8-5-3-2-4-7(8)10-6/h2-6,10H,1H3

description: dataset for 1H nuclear magnetic resonance spectroscopy (1H NMR)
DOI: 10.14272/msarkgvvmseuqd-uhfffaoysa-n/chmo0000630
title: infrared absorption spectroscopy (IR) (4-methyl-4,5-dihydrotetrazolo[1,5-a]quinoxaline)
title: InChI=1S/C9H9N5/c1-6-9-11-12-13-14(9)8-5-3-2-4-7(8)10-6/h2-6,10H,1H3

description: dataset for infrared absorption spectroscopy (IR)
DOI: 10.14272/msarkgvvmseuqd-uhfffaoysa-n.1
title: 4-methyl-4,5-dihydrotetrazolo[1,5-a]quinoxaline
title: InChI=1S/C9H9N5/c1-6-9-11-12-13-14(9)8-5-3-2-4-7(8)10-6/h2-6,10H,1H3

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/C9H9N5/c1-6-9-11-12-13-14(9)8-5-3-2-4-7(8)10-6/h2-6,10H,1H3, and canonical SMILES descriptor[cheminf_000007]: CC1Nc2ccccc2-n2c1nnn2, and by the IUPAC name[cheminf_000107]: 4-methyl-4,5-dihydrotetrazolo[1,5-a]quinoxaline.
 
 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-8204

 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:0000630 | infrared absorption spectroscopy (IR)
 
 CHMO:0000470 | mass spectrometry (MS)
 
 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/msarkgvvmseuqd-uhfffaoysa-n/chmo0000595
title: 13C nuclear magnetic resonance spectroscopy (13C NMR) (4-methyl-4,5-dihydrotetrazolo[1,5-a]quinoxaline)
title: InChI=1S/C9H9N5/c1-6-9-11-12-13-14(9)8-5-3-2-4-7(8)10-6/h2-6,10H,1H3

description: dataset for 13C nuclear magnetic resonance spectroscopy (13C NMR)
DOI: 10.14272/msarkgvvmseuqd-uhfffaoysa-n.3
title: 4-methyl-4,5-dihydrotetrazolo[1,5-a]quinoxaline
title: InChI=1S/C9H9N5/c1-6-9-11-12-13-14(9)8-5-3-2-4-7(8)10-6/h2-6,10H,1H3

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/C9H9N5/c1-6-9-11-12-13-14(9)8-5-3-2-4-7(8)10-6/h2-6,10H,1H3, and canonical SMILES descriptor[cheminf_000007]: CC1Nc2ccccc2-n2c1nnn2, and by the IUPAC name[cheminf_000107]: 4-methyl-4,5-dihydrotetrazolo[1,5-a]quinoxaline.
 
 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-8210

 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)
 
 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/msarkgvvmseuqd-uhfffaoysa-n/chmo0000593.2
title: 1H nuclear magnetic resonance spectroscopy (1H NMR) (4-methyl-4,5-dihydrotetrazolo[1,5-a]quinoxaline)
title: InChI=1S/C9H9N5/c1-6-9-11-12-13-14(9)8-5-3-2-4-7(8)10-6/h2-6,10H,1H3

description: dataset for 1H nuclear magnetic resonance spectroscopy (1H NMR)
DOI: 10.14272/msarkgvvmseuqd-uhfffaoysa-n.2
title: 4-methyl-4,5-dihydrotetrazolo[1,5-a]quinoxaline
title: InChI=1S/C9H9N5/c1-6-9-11-12-13-14(9)8-5-3-2-4-7(8)10-6/h2-6,10H,1H3

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/C9H9N5/c1-6-9-11-12-13-14(9)8-5-3-2-4-7(8)10-6/h2-6,10H,1H3, and canonical SMILES descriptor[cheminf_000007]: CC1Nc2ccccc2-n2c1nnn2, and by the IUPAC name[cheminf_000107]: 4-methyl-4,5-dihydrotetrazolo[1,5-a]quinoxaline.
 
 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-8207

 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)
 
 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/msarkgvvmseuqd-uhfffaoysa-n/chmo0000593.1
title: 1H nuclear magnetic resonance spectroscopy (1H NMR) (4-methyl-4,5-dihydrotetrazolo[1,5-a]quinoxaline)
title: InChI=1S/C9H9N5/c1-6-9-11-12-13-14(9)8-5-3-2-4-7(8)10-6/h2-6,10H,1H3

description: dataset for 1H nuclear magnetic resonance spectroscopy (1H NMR)
DOI: 10.14272/lgmvebqkpyimmi-uhfffaoysa-n.1
title: tetrazolo[1,5-a]quinoxaline
title: InChI=1S/C8H5N5/c1-2-4-7-6(3-1)9-5-8-10-11-12-13(7)8/h1-5H

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/C8H5N5/c1-2-4-7-6(3-1)9-5-8-10-11-12-13(7)8/h1-5H, and canonical SMILES descriptor[cheminf_000007]: c1ccc2c(c1)n1nnnc1cn2, and by the IUPAC name[cheminf_000107]: tetrazolo[1,5-a]quinoxaline.
 
 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-8223

 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:0000630 | infrared absorption spectroscopy (IR)
 
 CHMO:0000470 | mass spectrometry (MS)
 
 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/lgmvebqkpyimmi-uhfffaoysa-n/chmo0000470
title: mass spectrometry (MS) (tetrazolo[1,5-a]quinoxaline)
title: InChI=1S/C8H5N5/c1-2-4-7-6(3-1)9-5-8-10-11-12-13(7)8/h1-5H

description: dataset for mass spectrometry (MS)
DOI: 10.14272/lgmvebqkpyimmi-uhfffaoysa-n/chmo0000593
title: 1H nuclear magnetic resonance spectroscopy (1H NMR) (tetrazolo[1,5-a]quinoxaline)
title: InChI=1S/C8H5N5/c1-2-4-7-6(3-1)9-5-8-10-11-12-13(7)8/h1-5H

description: dataset for 1H nuclear magnetic resonance spectroscopy (1H NMR)
DOI: 10.14272/lgmvebqkpyimmi-uhfffaoysa-n/chmo0000595
title: 13C nuclear magnetic resonance spectroscopy (13C NMR) (tetrazolo[1,5-a]quinoxaline)
title: InChI=1S/C8H5N5/c1-2-4-7-6(3-1)9-5-8-10-11-12-13(7)8/h1-5H

description: dataset for 13C nuclear magnetic resonance spectroscopy (13C NMR)
DOI: 10.14272/lgmvebqkpyimmi-uhfffaoysa-n/chmo0000630
title: infrared absorption spectroscopy (IR) (tetrazolo[1,5-a]quinoxaline)
title: InChI=1S/C8H5N5/c1-2-4-7-6(3-1)9-5-8-10-11-12-13(7)8/h1-5H

description: dataset for infrared absorption spectroscopy (IR)
DOI: 10.14272/ulmjtfcevfslmn-uhfffaoysa-n.3
title: C14H11N5
title: InChI=1S/C14H11N5/c1-2-6-10(7-3-1)13-14-16-17-18-19(14)12-9-5-4-8-11(12)15-13/h1-9,13,15H

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/C14H11N5/c1-2-6-10(7-3-1)13-14-16-17-18-19(14)12-9-5-4-8-11(12)15-13/h1-9,13,15H, and canonical SMILES descriptor[cheminf_000007]: c1ccc(cc1)C1Nc2ccccc2-n2c1nnn2, 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]:
 
 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-8246

 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)
 
 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/ulmjtfcevfslmn-uhfffaoysa-n/chmo0000593.2
title: 1H nuclear magnetic resonance spectroscopy (1H NMR) ()
title: InChI=1S/C14H11N5/c1-2-6-10(7-3-1)13-14-16-17-18-19(14)12-9-5-4-8-11(12)15-13/h1-9,13,15H

description: dataset for 1H nuclear magnetic resonance spectroscopy (1H NMR)
DOI: 10.14272/ulmjtfcevfslmn-uhfffaoysa-n/chmo0000630
title: infrared absorption spectroscopy (IR) ()
title: InChI=1S/C14H11N5/c1-2-6-10(7-3-1)13-14-16-17-18-19(14)12-9-5-4-8-11(12)15-13/h1-9,13,15H

description: dataset for infrared absorption spectroscopy (IR)
DOI: 10.14272/ulmjtfcevfslmn-uhfffaoysa-n.1
title: C14H11N5
title: InChI=1S/C14H11N5/c1-2-6-10(7-3-1)13-14-16-17-18-19(14)12-9-5-4-8-11(12)15-13/h1-9,13,15H

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/C14H11N5/c1-2-6-10(7-3-1)13-14-16-17-18-19(14)12-9-5-4-8-11(12)15-13/h1-9,13,15H, and canonical SMILES descriptor[cheminf_000007]: c1ccc(cc1)C1Nc2ccccc2-n2c1nnn2, 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]:
 
 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-7337

 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:0000630 | infrared absorption spectroscopy (IR)
 
 CHMO:0000470 | mass spectrometry (MS)
 
 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/ulmjtfcevfslmn-uhfffaoysa-n/chmo0000470
title: mass spectrometry (MS) ()
title: InChI=1S/C14H11N5/c1-2-6-10(7-3-1)13-14-16-17-18-19(14)12-9-5-4-8-11(12)15-13/h1-9,13,15H

description: dataset for mass spectrometry (MS)
DOI: 10.14272/ulmjtfcevfslmn-uhfffaoysa-n/chmo0000593
title: 1H nuclear magnetic resonance spectroscopy (1H NMR) ()
title: InChI=1S/C14H11N5/c1-2-6-10(7-3-1)13-14-16-17-18-19(14)12-9-5-4-8-11(12)15-13/h1-9,13,15H

description: dataset for 1H nuclear magnetic resonance spectroscopy (1H NMR)
DOI: 10.14272/ulmjtfcevfslmn-uhfffaoysa-n/chmo0000595
title: 13C nuclear magnetic resonance spectroscopy (13C NMR) ()
title: InChI=1S/C14H11N5/c1-2-6-10(7-3-1)13-14-16-17-18-19(14)12-9-5-4-8-11(12)15-13/h1-9,13,15H

description: dataset for 13C nuclear magnetic resonance spectroscopy (13C NMR)
DOI: 10.15468/dl.6pveku
title: Occurrence Download

description: A dataset containing 93102323 species occurrences available in GBIF matching the query:
{
 "and" : [
 "MediaType is Image",
 "License is one of (CC0 1.0, CC-BY 4.0)"
 ]
}

 The dataset includes 93102323 records from 1528 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0011167-250310093411724/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.15156/bio/sh1102578.10fu
title: SH1102578.10FU

description: UNITE provides a unified way for delimiting, identifying, communicating, and working with DNA-based Species Hypotheses (SH). All fungal ITS sequences in the international nucleotide sequence databases are clustered to approximately the species level by applying a set of dynamic distance values (<0.5 - 3.0%). All species hypotheses are given a unique, stable name in the form of a DOI, and their taxonomic and ecological annotations are verified through distributed, web-based third-party annotation efforts. SHs are connected to a taxon name and its classification as far as possible (phylum, class, order, etc.) by taking into account identifications for all sequences in the SH. An automatically or manually designated sequence is chosen to represent each such SH. These sequences are released (https://unite.ut.ee/repository.php) for use by the scientific community in, for example, local sequence similarity searches and next-generation sequencing analysis pipelines. The system and the data are updated automatically as the number of public fungal ITS sequences grows.
DOI: 10.15156/bio/sh1102580.10fu
title: SH1102580.10FU

description: UNITE provides a unified way for delimiting, identifying, communicating, and working with DNA-based Species Hypotheses (SH). All fungal ITS sequences in the international nucleotide sequence databases are clustered to approximately the species level by applying a set of dynamic distance values (<0.5 - 3.0%). All species hypotheses are given a unique, stable name in the form of a DOI, and their taxonomic and ecological annotations are verified through distributed, web-based third-party annotation efforts. SHs are connected to a taxon name and its classification as far as possible (phylum, class, order, etc.) by taking into account identifications for all sequences in the SH. An automatically or manually designated sequence is chosen to represent each such SH. These sequences are released (https://unite.ut.ee/repository.php) for use by the scientific community in, for example, local sequence similarity searches and next-generation sequencing analysis pipelines. The system and the data are updated automatically as the number of public fungal ITS sequences grows.