Dataset

ISOBUTYL PARA HYDROXY BENZOATE

This MassBank record with Accession MSBNK-Fac_Eng_Univ_Tokyo-JP000077 contains the MS mass spectrum of ISOBUTYL PARA HYDROXY BENZOATE with the InChIkey XPJVKCRENWUEJH-UHFFFAOYSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C11H14O3/c1-8(2)7-14-11(13)9-3-5-10(12)6-4-9/h3-6,8,12H,7H2,1-2H3
SMILES CC(C)COC(=O)c(c1)ccc(O)c1
InChI Key XPJVKCRENWUEJH-UHFFFAOYSA-N
Molecular Formula C11H14O3
Exact Mass 194.094 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-JP000077
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T15:41:28.936107
MetadataModified 2025-02-09T12:09:07.872783
MetadataPublished 2016-01-19
Related Molecule
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
891459 eMolecules
0QQJ25X58G FDA SRS
PD159031 ProbesDrugs
178256 ChEBI
14748582 PubChem: Thomson Pharma
4247-02-3 ACToR
CB2779511 ChemicalBook
SCHEMBL34633 SureChEMBL
20240 PubChem
MCULE-4335589438 Mcule
CHEMBL3182006 ChEMBL
HMDB0253608 Human Metabolome Database
UXEQIZ CCDC
ISOBUTYLPARABEN rxnorm
J909A Nikkaji
ZINC000000225900 ZINC
DTXSID4020749 EPA CompTox Dashboard
HY-W015026 MedChemExpress
The data in this table is sourced from UniChem at EBI.