Dataset

2-METHYL-3-PENTANOL; EI-B; MS

This MassBank record with Accession MSBNK-Fac_Eng_Univ_Tokyo-JP006558 contains the MS mass spectrum of 2-METHYL-3-PENTANOL with the InChIkey ISTJMQSHILQAEC-UHFFFAOYSA-N.

Chemical Information

molecular Image

InChI	InChI=1S/C6H14O/c1-4-6(7)5(2)3/h5-7H,4H2,1-3H3
SMILES	CCC(O)C(C)C
InChI Key	ISTJMQSHILQAEC-UHFFFAOYSA-N
Molecular Formula	C6H14O
Exact Mass	102.104 g/mol

Data and Resources

2-METHYL-3-PENTANOLHTML

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Related Molecule ⌄

2-methylpentan-3-ol

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-JP006558
Version
Author
Maintainer
Language
MetadataPublished	2016-01-19
Related Molecule	2-methylpentan-3-ol

Field	Value
Measurement Technique	liquid chromatography-mass spectrometry
Measurement Variables

Data-Source Molecule ID	Data-Source
11264	PubChem
16043961	PubChem: Thomson Pharma
565-67-3	ACToR
20208086	NMRShiftDB
SCHEMBL85852	SureChEMBL
480423	eMolecules
CB6853848	ChemicalBook
QAZDUR	CCDC
J49.948J	Nikkaji
175233	Brenda
HMDB0302390	Human Metabolome Database
The data in this table is sourced from UniChem at EBI.