Dataset

1-PHENYLETHYL ACETATE

This MassBank record with Accession MSBNK-Fac_Eng_Univ_Tokyo-JP006901 contains the MS mass spectrum of 1-PHENYLETHYL ACETATE with the InChIkey QUMXDOLUJCHOAY-UHFFFAOYSA-N.

Chemical Info

InChI	InChI=1S/C10H12O2/c1-8(12-9(2)11)10-6-4-3-5-7-10/h3-8H,1-2H3
SMILES	CC(=O)OC(C)c(c1)cccc1
InChI Key	QUMXDOLUJCHOAY-UHFFFAOYSA-N
Molecular Formula	C10H12O2
Exact Mass	164.084 g/mol

Data and Resources

1-PHENYLETHYL ACETATEHTML
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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-JP006901
Version
Author
Maintainer
Language
MetadataCreated	2024-01-11T15:55:52.435717
MetadataModified	2024-01-11T15:55:52.623713
MetadataPublished	2016-01-19

Field	Value
Measurement Technique	liquid chromatography-mass spectrometry
Measurement Variables

Data-Source Molecule ID	Data-Source
595719	eMolecules
62341	PubChem
93-92-5	ACToR
1335-75-7	ACToR
60019400	NMRShiftDB
29759-11-3	ACToR
14818399	PubChem: Thomson Pharma
180412	ChEBI
153721	Brenda
HMDB0032620	Human Metabolome Database
CB8335113	ChemicalBook
DTXSID6041636	EPA CompTox Dashboard
119208	Brenda
234522	Brenda
FYS3E9NBA3	FDA SRS
ALPHA-METHYLBENZYL ACETATE	rxnorm
CHEMBL3184429	ChEMBL
J155.063B	Nikkaji
SCHEMBL114793	SureChEMBL
The data in this table is sourced from UniChem at EBI.