Dataset

fast-atom bombardment mass spectrometry (FABMS)

Chemical Info

InChI	InChI=1S/C17H17NO/c19-12-18-17-11-15-6-5-13-1-3-14(4-2-13)7-9-16(17)10-8-15/h1-4,8,10-12H,5-7,9H2,(H,18,19)
SMILES	O=CNc1cc2CCc3ccc(CCc1cc2)cc3
InChI Key	LCXUHIRWDWPRKN-UHFFFAOYSA-N
Molecular Formula	C17H17NO
Exact Mass	251.323 g/mol

Data and Resources

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Metadata Information

• Additional
• Measurement
• Molecule Data-Sources

Field	Value
DOI	10.14272/LCXUHIRWDWPRKN-UHFFFAOYSA-N/CHMO0000563
License URL
Source	https://www.chemotion-repository.net/inchikey/LCXUHIRWDWPRKN-UHFFFAOYSA-N/CHMO0000563
Version
Author	Mareen Stahlberger
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-07T07:00:38.501169
MetadataModified	2024-09-07T22:33:43.609364
MetadataPublished	2022-07-25

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

Data-Source Molecule ID	Data-Source
164889662	PubChem
The data in this table is sourced from UniChem at EBI.