Dataset

electron ionisation mass spectrometry (EI-MS)

Chemical Info

InChI	InChI=1S/C13H18O/c1-14-13-9-7-12(8-10-13)11-5-3-2-4-6-11/h2-6,12-13H,7-10H2,1H3/t12-,13+
SMILES	CO[C@@H]1CC[C@@H](CC1)c1ccccc1
InChI Key	ISSFAAFZIJMWHN-BETUJISGSA-N
Molecular Formula	C13H18O
Exact Mass	190.281 g/mol

Data and Resources

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Metadata Information

• Additional
• Measurement
• Molecule Data-Sources

Field	Value
DOI	10.14272/ISSFAAFZIJMWHN-BETUJISGSA-N/Mass/EI
License URL
Source	https://www.chemotion-repository.net/inchikey/ISSFAAFZIJMWHN-BETUJISGSA-N/Mass/EI
Version
Author	Stephanie Lindner
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-06T23:59:45.522698
MetadataModified	2024-09-07T13:25:43.977040
MetadataPublished	2014-05-27

Field	Value
Measurement Technique	electron ionisation mass spectrometry
Measurement Variables

Data-Source Molecule ID	Data-Source
SCHEMBL22350946	SureChEMBL
The data in this table is sourced from UniChem at EBI.