Dataset

electron ionisation mass spectrometry (EI-MS)

Chemical Info

InChI	InChI=1S/C12H17NO/c1-12(2,3)13-9-10-5-7-11(14-4)8-6-10/h5-9H,1-4H3/b13-9+
SMILES	COc1ccc(cc1)/C=N/C(C)(C)C
InChI Key	MPYQZDRGFVCQBT-UKTHLTGXSA-N
Molecular Formula	C12H17NO
Exact Mass	191.269 g/mol

Data and Resources

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Metadata Information

• Additional
• Measurement
• Molecule Data-Sources

Field	Value
DOI	10.14272/MPYQZDRGFVCQBT-UKTHLTGXSA-N/Mass/EI.1
License URL
Source	https://www.chemotion-repository.net/inchikey/MPYQZDRGFVCQBT-UKTHLTGXSA-N/Mass/EI.1
Version
Author	Sebastian Tussing
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-06T21:25:00.025269
MetadataModified	2024-09-07T13:53:23.035322
MetadataPublished	2014-09-25

Field	Value
Measurement Technique	electron ionisation mass spectrometry
Measurement Variables

Data-Source Molecule ID	Data-Source
SCHEMBL2152564	SureChEMBL
J655.562D	Nikkaji
The data in this table is sourced from UniChem at EBI.