Dataset

electron ionisation mass spectrometry (EI-MS)

dataset for electron ionisation mass spectrometry (EI-MS)\n\n

Chemical Info

molecular Image
InChI InChI=1S/C14H12N2O3/c1-9-7-11(8-10(2)15-9)14(17)12-5-3-4-6-13(12)16(18)19/h3-8H,1-2H3
SMILES Cc1nc(C)cc(c1)C(=O)c1ccccc1[N+](=O)[O-]
InChI Key FRUIOTIVENFZJQ-UHFFFAOYSA-N
Molecular Formula C14H12N2O3
Exact Mass 256.257 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/FRUIOTIVENFZJQ-UHFFFAOYSA-N/CHMO0000480
License URL
Source https://www.chemotion-repository.net/inchikey/FRUIOTIVENFZJQ-UHFFFAOYSA-N/CHMO0000480
Version
Author Sylvia Vanderheiden-Schroen
Maintainer Chemotion Repository
Language english
MetadataCreated 2024-09-07T05:19:21.527402
MetadataModified 2024-09-07T20:46:28.024742
MetadataPublished 2021-12-21
Field Value
Measurement Technique electron ionisation mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
162369935 PubChem
The data in this table is sourced from UniChem at EBI.