Dataset

2-PHENYL-1-PROPANOL

This MassBank record with Accession MSBNK-Fac_Eng_Univ_Tokyo-JP008187 contains the MS mass spectrum of 2-PHENYL-1-PROPANOL with the InChIkey RNDNSYIPLPAXAZ-UHFFFAOYSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C9H12O/c1-8(7-10)9-5-3-2-4-6-9/h2-6,8,10H,7H2,1H3
SMILES OCC(C)c(c1)cccc1
InChI Key RNDNSYIPLPAXAZ-UHFFFAOYSA-N
Molecular Formula C9H12O
Exact Mass 136.089 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-JP008187
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T15:56:19.270416
MetadataModified 2024-01-11T15:56:19.446747
MetadataPublished 2016-01-19
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
J69.580G Nikkaji
10009213 NMRShiftDB
CB2677295 ChemicalBook
27ZYZ88DWU FDA SRS
J76.750F Nikkaji
193640 ChEBI
CB5677296 ChemicalBook
244233 Brenda
1123-85-9 ACToR
485956 eMolecules
SCHEMBL1260 SureChEMBL
15315402 PubChem: Thomson Pharma
CHEMBL2323841 ChEMBL
39160 Brenda
HMDB0031628 Human Metabolome Database
DTXSID8037756 EPA CompTox Dashboard
14295 PubChem
MCULE-5104210695 Mcule
The data in this table is sourced from UniChem at EBI.