Dataset

Mono-iso-butyl phthalate

This MassBank record with Accession MSBNK-UFZ-UF420602 contains the MS2 mass spectrum of Mono-iso-butyl phthalate with the InChIkey WXVFMRKUWGIPRB-UHFFFAOYSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C12H14O4/c1-7(2)6-8-4-3-5-9(11(13)14)10(8)12(15)16/h3-5,7H,6H2,1-2H3,(H,13,14)(H,15,16)
SMILES CC(C)CC1=CC=CC(C(O)=O)=C1C(O)=O
InChI Key WXVFMRKUWGIPRB-UHFFFAOYSA-N
Molecular Formula C12H14O4
Exact Mass 222.089 g/mol

Data and Resources

Metadata Information

Field Value
DOI
License URL https://creativecommons.org/licenses/by/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-UFZ-UF420602
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T21:52:07.676766
MetadataModified 2025-02-09T19:46:40.516599
MetadataPublished 2017-01-05
Related Molecule
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
SCHEMBL901261 SureChEMBL
22394963 PubChem
The data in this table is sourced from UniChem at EBI.