2-Methylvaleraldehyde

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Systematic / IUPAC Name: 2-Methylpentanal

ID: Reference13935

Other Names: 2-Methylpentaldehyde;
AA-4573

Formula: C6H12O

Class: Endogenous Metabolites

Spectral Data

2-Methylvaleraldehyde mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.

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Available MS Data

Used Instruments Orbitrap ID-X with ETD_Cal Gateshead
No. of Spectral Trees 1
No. of Spectra 250
Tandem Spectra MS1, MS2, MS3
Ionization Methods NSI
Analyzers FT
Last Modification 5/29/2026 9:10:35 AM
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Identificators

InChI InChI=1S/C6H12O/c1-3-4-6(2)5-7/h5-6H,3-4H2,1-2H3
InChI Key FTZILAQGHINQQR-UHFFFAOYSA-N
Canonical SMILES CCCC(C)C=O
CAS
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Other Names 2-Methylpentaldehyde;
AA-4573

In Other Databases

ChEBI CHEBI:89986
ChemSpider 28985
PubChem 31245; 6999050; 31245
ChEMBL CHEMBL2270061
HMDb HMDB0031578; HMDB0031578; HMDB0031578; HMDB0031578