RefMet Compound Details

RefMet ID, RefMet name, exact mass and formula
RefMet ID	RM0140735
RefMet name	Hydroxyisocaproic acid
Sum Composition	FA 6:0;O	View other entries in RefMet with this sum composition
Exact mass	132.078645 (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	C6H12O3	View other entries in RefMet with this formula
Chemical/Biochemical Classification
Super Class	Fatty Acyls
Main Class	Fatty acids
Sub Class	Hydroxy FA
Distribution of Hydroxyisocaproic 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 Hydroxyisocaproic 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 6:0;O	92	2-Hydroxyisocaproic acid	2S-hydroxy-4-methyl-pentanoic acid
FA 6:0;O	84	2-Hydroxy-3-methyl-pentanoic acid	2R-hydroxy-3R-methyl-pentanoic acid
FA 6:0;O	84	2-Hydroxyhexanoic acid	2-hydroxy-hexanoic acid
FA 6:0;O	64	3S-Hydroxyhexanoic acid	(3S)-3-hydroxyhexanoic acid
FA 6:0;O	53	Leucinic acid	2-hydroxy-4-methyl-pentanoic acid
FA 6:0;O	47	5-Hydroxycaproic acid	5-hydroxy-hexanoic acid
FA 6:0;O	47	6-Hydroxycaproic acid	6-hydroxy-hexanoic acid
FA 6:0;O	35	D-Leucic acid	2R-hydroxy-4-methyl-pentanoic acid
FA 6:0;O	22	2-Ethyl-2-hydroxybutyric acid	2-ethyl-2-hydroxy-butanoic acid
FA 6:0;O	9	3-Hydroxycaproic acid	3-hydroxy-hexanoic acid