Dataset

mass spectrometry (MS)

Chemical Info

InChI	InChI=1S/C14H14N2O3/c1-9-7-11(8-10(2)15-9)14(17)12-5-3-4-6-13(12)16(18)19/h3-8,14,17H,1-2H3
SMILES	Cc1cc(cc(n1)C)C(c1ccccc1[N+](=O)[O-])O
InChI Key	MKUFXENKLAEJKE-UHFFFAOYSA-N
Molecular Formula	C14H14N2O3
Exact Mass	258.273 g/mol

Data and Resources

• mass spectrometry (MS)HTML
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• mass-spectrometry

Metadata Information

• Additional
• Measurement
• Molecule Data-Sources

Field	Value
DOI	10.14272/MKUFXENKLAEJKE-UHFFFAOYSA-N/Mass
License URL
Source	https://www.chemotion-repository.net/inchikey/MKUFXENKLAEJKE-UHFFFAOYSA-N/Mass
Version
Author	Simone Gräßle
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-07T00:43:54.831399
MetadataModified	2024-09-07T14:34:55.799667
MetadataPublished	2018-11-04

Field	Value
Measurement Technique	mass spectrometry
Measurement Variables

Data-Source Molecule ID	Data-Source
134822680	PubChem
The data in this table is sourced from UniChem at EBI.