Dataset

P-CRESYL ISOBUTYRATE

This MassBank record with Accession MSBNK-Fac_Eng_Univ_Tokyo-JP007173 contains the MS mass spectrum of P-CRESYL ISOBUTYRATE with the InChIkey UPPSFGGDKACIKP-UHFFFAOYSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C11H14O2/c1-8(2)11(12)13-10-6-4-9(3)5-7-10/h4-8H,1-3H3
SMILES CC(C)C(=O)Oc(c1)ccc(C)c1
InChI Key UPPSFGGDKACIKP-UHFFFAOYSA-N
Molecular Formula C11H14O2
Exact Mass 178.099 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-JP007173
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T15:57:12.403126
MetadataModified 2024-01-11T15:57:12.565824
MetadataPublished 2016-01-19
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
595839 eMolecules
20209290 NMRShiftDB
J36.973J Nikkaji
MCULE-5561165499 Mcule
7685 PubChem
103-93-5 ACToR
8H719PT14T FDA SRS
SCHEMBL891415 SureChEMBL
HMDB0037708 Human Metabolome Database
ZINC000000410090 ZINC
CB7380590 ChemicalBook
173829 ChEBI
The data in this table is sourced from UniChem at EBI.