Dataset

mass spectrometry (MS)

Chemical Info

InChI	InChI=1S/C10H15BO2S/c1-9(2)10(3,4)13-11(12-9)8-6-5-7-14-8/h5-7H,1-4H3
SMILES	CC1(C)OB(OC1(C)C)c1cccs1
InChI Key	FFZHICFAHSDFKZ-UHFFFAOYSA-N
Molecular Formula	C10H15BO2S
Exact Mass	210.101 g/mol

Data and Resources

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Metadata Information

• Additional
• Measurement
• Molecule Data-Sources

Field	Value
DOI	10.14272/FFZHICFAHSDFKZ-UHFFFAOYSA-N/CHMO0000470
License URL
Source	https://www.chemotion-repository.net/inchikey/FFZHICFAHSDFKZ-UHFFFAOYSA-N/CHMO0000470
Version
Author	Steffen Otterbach
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-08T01:55:43.258162
MetadataModified	2024-09-08T01:55:43.258167
MetadataPublished	2023-11-13

Field	Value
Measurement Technique	mass spectrometry
Measurement Variables

Data-Source Molecule ID	Data-Source
10703628	PubChem
SCHEMBL121468	SureChEMBL
KUJRUD	CCDC
J871.099F	Nikkaji
193978-23-3	ACToR
1984257	eMolecules
15738013	PubChem: Thomson Pharma
CB6145503	ChemicalBook
ZINC000169744933	ZINC
DTXSID40443735	EPA CompTox Dashboard
The data in this table is sourced from UniChem at EBI.