RefMet Compound Details

RefMet ID, RefMet name, exact mass and formula
RefMet ID	RM0140458
RefMet name	Methylheptanoic acid
Sum Composition	FA 8:0	View other entries in RefMet with this sum composition
Exact mass	144.11503 (neutral)	Calculate m/z: (Choose adduct) [M+H]+ [M+H-H2O]+ [M.]+ [M+2H]2+ [M+3H]3+ [M+4H]4+ [M+K]+ [M+2K]2+ [M+2K-H]+ [M+Na]+ [M+2Na]2+ [M+2Na-H]+ [M+Li]+ [M+2Li]2+ [M+NH4]+ [M.CH3]+ [M+Ag]+ [M+H+CH3OH]+ [M+H+CH3CN]+ [M+H+2CH3CN]+ [M+Na+CH3CN]+ [M.NaFormate+H]+ [M.NH4Formate+H]+ [M.TMSi]+ [M.tBuDMSi]+ [M+H-Hexose]+ [M+H-EtnP]+ [M+H-SerP]+ [M-H]- [M-H-H2O]- [M-CH3]- [M-2H]2- [M-3H]3- [M-4H]4- [M+Cl]- [M+OAc]- [M+Na-2H]- [M+K-2H]- [M.Formate]- [M.NaFormate-H]- [M.NH4Formate-H]- [M.F]- [M-H-Ser]- [M.HF2]- M(neutral)    View other RefMet entries with this exact (neutral) mass:   +/- 0.05 amu   +/- 0.1 amu   +/- 0.2 amu   +/- 0.5 amu
Formula	C8H16O2	View other entries in RefMet with this formula
Chemical/Biochemical Classification
Super Class	Fatty Acyls
Main Class	Fatty acids
Sub Class	Branched FA
Distribution of Methylheptanoic acid in NMDR studies
Species	Plot Species distribution
Sample source	Plot Sample source(tissue) distribution
Platform	Platform (MS/NMR) used for detection
Chromatography	Chromatography methods used for detection
Studies	NMDR Studies reporting Methylheptanoic acid
External Links
Structural annotation level
Annotation level	3   (1:Known structure; 2:Known regiochemistry; 3:Partial structure; 4:Sum-composition)

Abbrev	# of Studies	Refmet name(exact structures)	Systematic name
FA 8:0	381	Caprylic acid	octanoic acid
FA 8:0	24	Valproic acid	2-propylpentanoic acid
FA 8:0	22	alpha-Ethylcaproic acid	2-ethyl-hexanoic acid
FA 8:0	3	Butyl butanoate	butryl butyrate
FA 8:0	3	Ethyl hexanoate	ethyl hexanoate
FA 8:0	3	Methyl heptanoate	methyl heptanoate
FA 8:0	2	Hexyl acetate	Hexyl acetate
FA 8:0	1	3-Methyl-heptanoic acid	3-methyl-heptanoic acid
FA 8:0		2-Methylpropyl butanoate	2-methylpropyl butanoate
FA 8:0		3-Methylbutyl propanoate	3-Methylbutyl propionate
FA 8:0		Ethyl 4-methylpentanoate	ethyl 4-methylpentanoate
FA 8:0		Propyl 3-methylbutanoate	propyl 3-methylbutanoate