Dataset

2-METHYLPENTANOL

This MassBank record with Accession MSBNK-Fac_Eng_Univ_Tokyo-JP006554 contains the MS mass spectrum of 2-METHYLPENTANOL with the InChIkey PFNHSEQQEPMLNI-UHFFFAOYSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C6H14O/c1-3-4-6(2)5-7/h6-7H,3-5H2,1-2H3
SMILES CCCC(C)CO
InChI Key PFNHSEQQEPMLNI-UHFFFAOYSA-N
Molecular Formula C6H14O
Exact Mass 102.104 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-JP006554
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T15:57:49.554531
MetadataModified 2024-01-11T15:57:49.741841
MetadataPublished 2016-01-19
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
105-30-6 ACToR
7745 PubChem
15170475 PubChem: Thomson Pharma
54972-97-3 ACToR
J49.947A Nikkaji
SCHEMBL22659 SureChEMBL
10009215 NMRShiftDB
214515 Brenda
43157 Brenda
163916 Brenda
CB1118126 ChemicalBook
MCULE-9777250826 Mcule
U8933MB30H FDA SRS
DTXSID9026714 EPA CompTox Dashboard
CHEMBL1569610 ChEMBL
488847 eMolecules
The data in this table is sourced from UniChem at EBI.