MIECO Ontology Terms
This page lists all terms defined in the Metabolite Identification Evidence Code Ontology (MIECO).
Documentation is generated automatically from src/ontology/mieco-edit.owl using ROBOT.
Term List
| ID | Label | Definition (IAO:0000115) | Comment |
|---|---|---|---|
| MIECO:0000001 | Complete structural identification by LCMS similarity to authentic reference standard | ||
| MIECO:0000002 | characterisation by LCMS similarity to literature reference | ||
| MIECO:0000003 | characterisation by LCMS similarity to database reference | ||
| MIECO:0000004 | characterisation by RT similarity | ||
| MIECO:0000005 | characterisation by LC RT similarity | ||
| MIECO:0000006 | characterisation by GC RT similarity | ||
| MIECO:0000007 | Characterisation by fragmentation pattern in MS1 | ||
| MIECO:0000008 | Characterisation by LCMS similarity to other property of molecule | ||
| MIECO:0000009 | Characterisation by m/z value in MS1 | ||
| MIECO:0000010 | Characterisation by fragmentation pattern in MS2 | ||
| MIECO:0000011 | Characterisation by m/z value in MS2 | ||
| MIECO:0000012 | Characterisation by online HD exchange experiment identified substructure revealing exchangeable protons | This might be a chromatography rather than MS evidence | |
| MIECO:0000013 | Characterisation by collision induced dissociation (CID) MS2 | ||
| MIECO:0000014 | Characterisation by collision induced dissociation (CID) MS2 with mass and isotope pattern of quasi-molecular fragment ion [M+-I]+- | ||
| MIECO:0000015 | Characterisation by collision induced dissociation (CID) MS2 with mass and isotope pattern of quasi-molecular fragment ion in positive ESI mode | ||
| MIECO:0000016 | Characterisation by collision induced dissociation (CID) MS2 with mass and isotope pattern of quasi-molecular fragment ion in negative ESI mode | ||
| MIECO:0000017 | Characterisation by collision induced dissociation (CID) MS2 by characteristic neutral loss of part of molecule | ||
| MIECO:0000018 | Characterisation by collision induced dissociation (CID) MS2 by number of exchangeable protons of fragment ions | Check, as proton exchange occurs in LC, not MS part | |
| MIECO:0000019 | Characterisation based on acid-catalysed hydrolysis experiment | ||
| MIECO:0000020 | Characterisation based on Isotopologue detection by LCMS | ||
| MIECO:0000021 | Characterisation by stereochemistry assay | ||
| MIECO:0000022 | Characterisation by circular dichroism based stereochemistry assay | ||
| MIECO:0000023 | Characterisation by alpha D value stereochemistry assay | ||
| MIECO:0000024 | Characterisation by optical absorbance spectrum assay | ||
| MIECO:0000025 | Characterisation by IR absorbance spectrum assay | ||
| MIECO:0000026 | Characterisation by UV absorbance spectrum assay | ||
| MIECO:0000027 | characterisation by high resolution RT similarity | ||
| MIECO:0000028 | characterisation by RI similarity | RI Retention Index | |
| MIECO:0000029 | high resolution mass spectrometry evidence | ||
| MIECO:0000030 | 1D NMR spectroscopy evidence | ||
| MIECO:0000031 | 2D NMR spectroscopy evidence | ||
| MIECO:0000032 | NMR spectroscopy evidence by dimensionality | ||
| MIECO:0000033 | NMR spectroscopy evidence by acquisition nucleus | ||
| MIECO:0000034 | H1 based NMR spectroscopy evidence | ||
| MIECO:0000035 | C14 based NMR spectroscopy evidence | ||
| MIECO:0000036 | N based NMR spectroscopy evidence | ||
| MIECO:0000037 | NMR spectroscopy evidence by excitation frequency | ||
| MIECO:0000038 | NMR spectroscopy evidence by pulse sequence | ||
| MIECO:0000039 | NMR spectroscopy evidence by TCOSY pulse sequence | ||
| MIECO:0000040 | NMR spectroscopy evidence by COSY pulse sequence | ||
| MIECO:0000041 | NMR spectroscopy evidence by HMBC pulse sequence | ||
| MIECO:0000044 | characterisation by Kovats RI | ||
| MIECO:0000045 | characterisation by FAME RI | ||
| MIECO:0000046 | high resolution RI similarity | ||
| MIECO:0000047 | assertion | ||
| MIECO:0000048 | characterisation | ||
| MIECO:0000049 | classification | ||
| MIECO:0000050 | identification | ||
| MIECO:0000051 | annotation | ||
| MIECO:0000052 | molecular structural element | ||
| MIECO:0000053 | molecule instance | ||
| MIECO:0000054 | molecule class | ||
| MIECO:0000055 | molecular substructure | ||
| MIECO:0000056 | molecular part/ functional group / x-conjugate | ||
| MIECO:0000057 | portion of chemical element | ||
| MIECO:0000058 | portion of isotope | ||
| MIECO:0000062 | assay | ||
| MIECO:0000063 | mass spectrometry | ||
| MIECO:0000064 | high resolution mass spectrometry | ||
| MIECO:0000065 | chromatography | ||
| MIECO:0000066 | liquid chromatography | ||
| MIECO:0000067 | gas chromatography | ||
| MIECO:0000068 | liquid chromatography mass spectrometry (LC-MS) | ||
| MIECO:0000069 | gas chromatography mass spectrometry (GC-MS) | ||
| MIECO:0000070 | assertion by comparison to authentic reference standard | ||
| MIECO:0000071 | assertion by database comparison | ||
| MIECO:0000072 | assertion by MassBank comparison | ||
| MIECO:0000073 | identification of molecule | ||
| MIECO:0000075 | NMR | ||
| MIECO:0000076 | 1D-NMR | ||
| MIECO:0000077 | 2D-NMR | ||
| MIECO:0000078 | tandem mass spectrometry | ||
| MIECO:0000079 | identification of molecular structural element | ||
| MIECO:0000080 | ion | ||
| MIECO:0000081 | positive ion | ||
| MIECO:0000082 | negative ion | ||
| MIECO:0000083 | bond | ||
| MIECO:0000084 | double bond | ||
| MIECO:0000085 | mass spectrometry by ionisation method | ||
| MIECO:0000086 | mass spectrometry by electrospray ionisation (ESI-MS) | ||
| MIECO:0000087 | mass spectrometry by fast atom bombardment ionisation (FAB-MS) | ||
| MIECO:0000088 | mass spectrometry by matrix assisted laser desorption ionisation (MALDI-MS) | ||
| MIECO:0000089 | mass spectrometry by electron impact (EI-MS) | ||
| MIECO:0000093 | Characterisation based on MS determined elemental composition | ||
| MIECO:0000094 | characterisation by MS determined sum formula | ||
| MIECO:0000095 | mass spectrometry evidence used in automatic assertion | ||
| MIECO:0000096 | Classification by LCMS experiment | ||
| MIECO:0000097 | Classification based on RT and m/z value in MS2 | ||
| MIECO:0000098 | Unknown assignment based on RT and m/z value in MS2 | The known unknowns from an LCMS assay outcome. | |
| MIECO:0000099 | MSI 2007 metabolite identification level | Identification level attribute of a single metabolite identification item as described in doi:10.1007/s11306-007-0082-2" [MSI:10.1007/s11306-007-0082-2] | |
| MIECO:0000100 | MSI level 1: Identified compound | Identified compound using a minimum of two independent and orthogonal data relative to an authentic compound analyzed under identical experimental conditions (e.g. retention time/index and mass spectrum, retention time and NMR spectrum, accurate mass and tandem MS, accurate mass and isotope pattern, full 1H and/or 13C NMR, 2-D NMR spectra), as described in doi:10.1007/s11306-007-0082-2" [MSI:10.1007/s11306-007-0082-2] | |
| MIECO:0000101 | MSI level 2: Putatively annotated compound | Putatively characterized compound class based based upon e.g. characteristic physicochemical properties of a chemical class of compounds, or by spectral similarity to known compounds of a chemical class, as described in doi:10.1007/s11306-007-0082-2" [MSI:10.1007/s11306-007-0082-2] | |
| MIECO:0000102 | MSI level 3: Identified compound class | Putatively characterized compound class based based upon e.g. characteristic physicochemical properties of a chemical class of compounds, or by spectral similarity to known compounds of a chemical class, as described in doi:10.1007/s11306-007-0082-2" [MSI:10.1007/s11306-007-0082-2] | |
| MIECO:0000103 | MSI level 4: Unknown compound | An unidentified or unclassified metabolite, which can still be differentiated and quantified based upon spectral data, as described in doi:10.1007/s11306-007-0082-2" [MSI:10.1007/s11306-007-0082-2] | |
| MIECO:0000104 | Small molecule identification evidence | ||
| MIECO:0000105 | Eawag 2014 small molecule identification level | Confidence levels for identifying small molecules via high resolution mass spectrometry as described in Schymanski et al 2014 DOI::10.1021/es5002105 | |
| MIECO:0000106 | Eawag level 1: Confirmed structure | ||
| MIECO:0000107 | Eawag level 2: Probable structure | ||
| MIECO:0000108 | Eawag level 2a: Probable structure by library spectrum match | ||
| MIECO:0000109 | Eawag level 2b: Probable structure by diagnostic evidence | ||
| MIECO:0000110 | Eawag level 3: Tentative candidate | ||
| MIECO:0000111 | Eawag level 4: Unequivocal molecular formula | ||
| MIECO:0000112 | Eawag level 5: Exact mass of interest | ||
| MIECO:0000113 | triple bond | ||
| MIECO:0000114 | singular bond | ||
| MIECO:0000115 | atom | ||
| MIECO:0000116 | assay outcome |
107 terms listed.