Dataset

electron ionisation mass spectrometry (EI-MS)

Chemical Info

InChI	InChI=1S/C12H15NO3/c1-3-13-11(14)9-5-7-10(8-6-9)12(15)16-4-2/h5-8H,3-4H2,1-2H3,(H,13,14)
SMILES	CCNC(=O)c1ccc(cc1)C(=O)OCC
InChI Key	AUTDBLDMAFLPOF-UHFFFAOYSA-N
Molecular Formula	C12H15NO3
Exact Mass	221.252 g/mol

Data and Resources

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Metadata Information

• Additional
• Measurement
• Molecule Data-Sources

Field	Value
DOI	10.14272/AUTDBLDMAFLPOF-UHFFFAOYSA-N/Mass/EI.1
License URL
Source	https://www.chemotion-repository.net/inchikey/AUTDBLDMAFLPOF-UHFFFAOYSA-N/Mass/EI.1
Version
Author	Simone Gräßle
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-06T21:29:38.636769
MetadataModified	2024-09-07T14:00:13.861743
MetadataPublished	2015-05-11

Field	Value
Measurement Technique	electron ionisation mass spectrometry
Measurement Variables

Data-Source Molecule ID	Data-Source
67903205	PubChem
SCHEMBL9671988	SureChEMBL
The data in this table is sourced from UniChem at EBI.