Dataset

electron ionisation mass spectrometry (EI-MS)

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

Chemical Info

molecular Image
InChI InChI=1S/C17H16O4/c1-21-11-7-6-10(18)14-15(11)17(20)13-9-4-2-8(3-5-9)12(13)16(14)19/h2,4,6-9,12-13,18H,3,5H2,1H3
SMILES COc1ccc(c2c1C(=O)C1C3CCC(C1C2=O)C=C3)O
InChI Key JPXGAROTSXUCFU-UHFFFAOYSA-N
Molecular Formula C17H16O4
Exact Mass 284.307 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/JPXGAROTSXUCFU-UHFFFAOYSA-N/Mass/EI.1
License URL
Source https://www.chemotion-repository.net/inchikey/JPXGAROTSXUCFU-UHFFFAOYSA-N/Mass/EI.1
Version
Author Tim Wezeman
Maintainer Chemotion Repository
Language english
MetadataCreated 2024-09-06T21:21:51.575434
MetadataModified 2024-09-07T13:48:08.979656
MetadataPublished 2014-08-21
Field Value
Measurement Technique electron ionisation mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
77050804 PubChem
The data in this table is sourced from UniChem at EBI.