Dataset

ALLYL PHENYLACETATE

This MassBank record with Accession MSBNK-Fac_Eng_Univ_Tokyo-JP005216 contains the MS mass spectrum of ALLYL PHENYLACETATE with the InChIkey ZCDYAMJXVAUTIM-UHFFFAOYSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C11H12O2/c1-2-8-13-11(12)9-10-6-4-3-5-7-10/h2-7H,1,8-9H2
SMILES C=CCOC(=O)Cc(c1)cccc1
InChI Key ZCDYAMJXVAUTIM-UHFFFAOYSA-N
Molecular Formula C11H12O2
Exact Mass 176.084 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-JP005216
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T15:56:18.201531
MetadataModified 2024-01-11T15:56:18.354814
MetadataPublished 2016-01-19
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
595503 eMolecules
SCHEMBL203679 SureChEMBL
3D2NBC7K7Q FDA SRS
85259817 PubChem: Thomson Pharma
1797-74-6 ACToR
HMDB0036905 Human Metabolome Database
CB6293280 ChemicalBook
ZINC000001693643 ZINC
DTXSID8061977 EPA CompTox Dashboard
J33.470G Nikkaji
168585 ChEBI
15717 PubChem
The data in this table is sourced from UniChem at EBI.