Dataset

METHYL PARA TOLUATE; EI-B; MS

This MassBank record with Accession MSBNK-Fac_Eng_Univ_Tokyo-JP000047 contains the MS mass spectrum of METHYL PARA TOLUATE with the InChIkey QSSJZLPUHJDYKF-UHFFFAOYSA-N.

Chemical Information

molecular Image

InChI	InChI=1S/C9H10O2/c1-7-3-5-8(6-4-7)9(10)11-2/h3-6H,1-2H3
SMILES	COC(=O)c(c1)ccc(C)c1
InChI Key	QSSJZLPUHJDYKF-UHFFFAOYSA-N
Molecular Formula	C9H10O2
Exact Mass	150.068 g/mol

Data and Resources

METHYL PARA TOLUATEHTML

Go to source

Related Molecule ⌄

methyl 4-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-JP000047
Version
Author
Maintainer
Language
MetadataPublished	2016-01-19
Related Molecule	methyl 4-methylbenzoate

Field	Value
Measurement Technique	liquid chromatography-mass spectrometry
Measurement Variables

Data-Source Molecule ID	Data-Source
7455	PubChem
964JP0ZZRG	FDA SRS
15114488	PubChem: Thomson Pharma
25567-11-7	ACToR
SCHEMBL137891	SureChEMBL
99-75-2	ACToR
492750	eMolecules
10025094	NMRShiftDB
MCULE-4590499575	Mcule
CHEMBL1480173	ChEMBL
CB6224862	ChemicalBook
J45.106A	Nikkaji
DTXSID4025668	EPA CompTox Dashboard
XIYVOR	CCDC
ZINC000000391965	ZINC
The data in this table is sourced from UniChem at EBI.