Dataset

ETHYL ORTHO TOLUATE; EI-B; MS

This MassBank record with Accession MSBNK-Fac_Eng_Univ_Tokyo-JP000048 contains the MS mass spectrum of ETHYL ORTHO TOLUATE with the InChIkey SOUAXOGPALPTTC-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C10H12O2/c1-3-12-10(11)9-7-5-4-6-8(9)2/h4-7H,3H2,1-2H3
SMILES CCOC(=O)c(c1)c(C)ccc1
InChI Key SOUAXOGPALPTTC-UHFFFAOYSA-N
Molecular Formula C10H12O2
Exact Mass 164.084 g/mol

Data and Resources

Metadata Information

Field Value
DOI
License URL https://creativecommons.org/licenses/by-nc-sa/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Fac_Eng_Univ_Tokyo-JP000048
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MetadataPublished 2016-01-19
Related Molecule
  • ethyl 2-methylbenzoate
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    87-24-1 ACToR
    SCHEMBL1569293 SureChEMBL
    87223903 PubChem: Thomson Pharma
    66598 PubChem
    492155 eMolecules
    20200064 NMRShiftDB
    384Q41M534 FDA SRS
    MCULE-7559082034 Mcule
    CHEMBL1882976 ChEMBL
    ZINC000000391964 ZINC
    DTXSID4040711 EPA CompTox Dashboard
    J47.822I Nikkaji
    CB4293190 ChemicalBook
    The data in this table is sourced from UniChem at EBI.