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

ETHYL ORTHO TOLUATEHTML

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Related Molecule ⌄

ethyl 2-methylbenzoate

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
Version
Author
Maintainer
Language
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
CHEMBL1882976	chembl
1569293	surechembl
29535471	surechembl
66598	pubchem
384Q41M534	fdasrs
Molport-001-791-906	molport
The data in this table is sourced from UniChem at EBI.