Dataset

3-METHYL-1-PHENYL-3-PENTANOL

This MassBank record with Accession MSBNK-Fac_Eng_Univ_Tokyo-JP006579 contains the MS mass spectrum of 3-METHYL-1-PHENYL-3-PENTANOL with the InChIkey AEJRTNBCFUOSEM-UHFFFAOYSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C12H18O/c1-3-12(2,13)10-9-11-7-5-4-6-8-11/h4-8,13H,3,9-10H2,1-2H3
SMILES CCC(C)(O)CCc(c1)cccc1
InChI Key AEJRTNBCFUOSEM-UHFFFAOYSA-N
Molecular Formula C12H18O
Exact Mass 178.136 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-JP006579
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T15:57:30.669780
MetadataModified 2024-01-11T15:57:30.840254
MetadataPublished 2016-01-19
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
512088 eMolecules
MCULE-5168620248 Mcule
15066867 PubChem: Thomson Pharma
10415-87-9 ACToR
SCHEMBL114480 SureChEMBL
DTXSID60864266 EPA CompTox Dashboard
HMDB0031731 Human Metabolome Database
61516 PubChem
226858 Brenda
J28.641I Nikkaji
53PK0CX9TS FDA SRS
CB3494729 ChemicalBook
172003 ChEBI
The data in this table is sourced from UniChem at EBI.