RefMet Compound Details

RefMet ID, RefMet name, exact mass and formula
RefMet ID	RM0032341
RefMet name	Phosphoric acid
Systematic name	phosphoric acid
Synonyms	PubChem Synonyms
Exact mass	97.976898 (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	H3O4P	View other entries in RefMet with this formula
Molecular descriptors
Molfile	49812 (Download molfile/View MW Metabolite Database details)
InChI	InChI=1S/H3O4P/c1-5(2,3)4/h(H3,1,2,3,4)
InChIKey	NBIIXXVUZAFLBC-UHFFFAOYSA-N	View other enantiomers/diastereomers of this metabolite in RefMet
SMILES	OP(=O)(O)O Run Tanimoto similarity search (with similarity coefficient >=0.6)
Chemical/Biochemical Classification
Super Class	Inorganic compounds
Main Class	Phosphorus inorganic compounds
Sub Class	Phosphates
Distribution of Phosphoric 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 Phosphoric acid
External Links
Pubchem CID	1004
ChEBI ID	26078
KEGG ID	C00009
HMDB ID	HMDB0001429
EPA CompTox	DTXCID804263
Spectral data for Phosphoric acid standards
MassBank(EU)	View MS spectra
Structural annotation level
Annotation level	1   (1:Known structure; 2:Known regiochemistry; 3:Partial structure; 4:Sum-composition)