Dataset

PHENYL BUTYRATE

This MassBank record with Accession MSBNK-Fac_Eng_Univ_Tokyo-JP008562 contains the MS mass spectrum of PHENYL BUTYRATE with the InChIkey IGVPBCZDHMIOJH-UHFFFAOYSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C10H12O2/c1-2-6-10(11)12-9-7-4-3-5-8-9/h3-5,7-8H,2,6H2,1H3
SMILES CCCC(=O)Oc(c1)cccc1
InChI Key IGVPBCZDHMIOJH-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-JP008562
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T15:56:19.663015
MetadataModified 2025-02-09T11:31:24.897001
MetadataPublished 2016-01-19
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
20354 PubChem
MCULE-4521121597 Mcule
15120352 PubChem: Thomson Pharma
4346-18-3 ACToR
SCHEMBL62921 SureChEMBL
180407 ChEBI
R9K49A127H FDA SRS
20805 Brenda
5279 Brenda
HMDB0041612 Human Metabolome Database
DTXSID30195857 EPA CompTox Dashboard
PHENYL BUTYRATE rxnorm
ZINC000002037928 ZINC
CB8709491 ChemicalBook
J121.748H Nikkaji
The data in this table is sourced from UniChem at EBI.