Dataset

mass spectrometry (MS)

Chemical Info

InChI	InChI=1S/C14H13NO/c16-11-13-6-8-14(9-7-13)15-10-12-4-2-1-3-5-12/h1-9,11,15H,10H2
SMILES	O=Cc1ccc(cc1)NCc1ccccc1
InChI Key	ZXNGWGZCPWDZJD-UHFFFAOYSA-N
Molecular Formula	C14H13NO
Exact Mass	211.259 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/ZXNGWGZCPWDZJD-UHFFFAOYSA-N/CHMO0000470
License URL
Source	https://www.chemotion-repository.net/inchikey/ZXNGWGZCPWDZJD-UHFFFAOYSA-N/CHMO0000470
Version
Author	Simone Gräßle
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-07T02:28:26.901814
MetadataModified	2024-09-07T17:01:24.314314
MetadataPublished	2020-02-28

Field	Value
Measurement Technique	mass spectrometry
Measurement Variables

Data-Source Molecule ID	Data-Source
SCHEMBL511052	SureChEMBL
16521342	PubChem: Thomson Pharma
11424382	PubChem
DTXSID90465427	EPA CompTox Dashboard
J3.620.153C	Nikkaji
The data in this table is sourced from UniChem at EBI.