Dataset

mass spectrometry (MS)

Chemical Info

InChI	InChI=1S/C14H20BNO3/c1-10(17)16-12-8-6-11(7-9-12)15-18-13(2,3)14(4,5)19-15/h6-9H,1-5H3,(H,16,17)
SMILES	CC(=O)Nc1ccc(cc1)B1OC(C(O1)(C)C)(C)C
InChI Key	ANGKVUVZQVUVJO-UHFFFAOYSA-N
Molecular Formula	C14H20BNO3
Exact Mass	261.124 g/mol

Data and Resources

• mass spectrometry (MS)HTML
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Metadata Information

• Additional
• Measurement
• Molecule Data-Sources

Field	Value
DOI	10.14272/ANGKVUVZQVUVJO-UHFFFAOYSA-N/Mass
License URL
Source	https://www.chemotion-repository.net/inchikey/ANGKVUVZQVUVJO-UHFFFAOYSA-N/Mass
Version
Author	Nicolai Wippert
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-07T00:41:50.056016
MetadataModified	2024-09-07T14:31:56.258242
MetadataPublished	2018-09-10

Field	Value
Measurement Technique	mass spectrometry
Measurement Variables

Data-Source Molecule ID	Data-Source
2734619	PubChem
15268985	PubChem: Thomson Pharma
214360-60-8	ACToR
516605	eMolecules
SCHEMBL1284377	SureChEMBL
ZINC000169747441	ZINC
CB7154304	ChemicalBook
J1.255.215G	Nikkaji
DTXSID80370399	EPA CompTox Dashboard
The data in this table is sourced from UniChem at EBI.