Dataset

fast-atom bombardment mass spectrometry (FABMS)

Chemical Info

InChI	InChI=1S/C17H9BrO5/c18-12-7-15(21)14(20)5-10(12)17(23)11-6-13(19)8-3-1-2-4-9(8)16(11)22/h1-7,20-21H
SMILES	Brc1cc(O)c(cc1C(=O)C1=CC(=O)c2c(C1=O)cccc2)O
InChI Key	BCJAVVNVCVMEAK-UHFFFAOYSA-N
Molecular Formula	C17H9BrO5
Exact Mass	373.154 g/mol

Data and Resources

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Metadata Information

• Additional
• Measurement
• Molecule Data-Sources

Field	Value
DOI	10.14272/BCJAVVNVCVMEAK-UHFFFAOYSA-N/CHMO0000563
License URL
Source	https://www.chemotion-repository.net/inchikey/BCJAVVNVCVMEAK-UHFFFAOYSA-N/CHMO0000563
Version
Author	Janina Beck
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-07T03:07:05.587999
MetadataModified	2024-09-07T17:54:01.797114
MetadataPublished	2020-05-07

Field	Value
Measurement Technique	fast-atom bombardment mass spectrometry
Measurement Variables

Data-Source Molecule ID	Data-Source
146035815	PubChem
The data in this table is sourced from UniChem at EBI.