Dataset

mass spectrometry (MS)

dataset for mass spectrometry (MS)

Chemical Information

molecular Image
InChI InChI=1S/C14H17NO2/c1-10-9-11-7-5-6-8-12(11)15(10)13(16)17-14(2,3)4/h5-9H,1-4H3
SMILES O=C(n1c(C)cc2c1cccc2)OC(C)(C)C
InChI Key CMVPIVAWAQZQKP-UHFFFAOYSA-N
Exact Mass 231.290 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/CMVPIVAWAQZQKP-UHFFFAOYSA-N/CHMO0000470
License URL
Source https://www.chemotion-repository.net/inchikey/CMVPIVAWAQZQKP-UHFFFAOYSA-N/CHMO0000470
Version
Author Georg Manolikakes
Maintainer Chemotion Repository
Language english
MetadataPublished 2025-12-17
Related Molecule
  • tert-butyl 2-methylindole-1-carboxylate
    • Field Value
    Measurement Technique mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    36834473 eMolecules
    11401996 PubChem
    J1.279.118F Nikkaji
    DTXSID20464766 EPA CompTox Dashboard
    ZINC000045895558 ZINC
    16497287 PubChem: Thomson Pharma
    SCHEMBL5713778 SureChEMBL
    The data in this table is sourced from UniChem at EBI.