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Alignment with ODM2 speciation

ODM2 publishes a set of controlled vocabularies at http://vocabulary.odm2.org/. Its speciation vocabulary names the chemical form in which a measured result is expressed, for example nitrogen reported as nitrate or as ammonium. This page records how each of its concepts is represented in BERVO. It is the first step on issue #66.

Source

The SKOS export at http://vocabulary.odm2.org/api/v1/speciation/?format=skos, fetched on 2026-09-17. It holds 145 concepts and the scheme itself. Every concept's definition takes the form "Expressed as X"; that definition is copied into the BERVO term's Comment.

How the alignment is recorded

  • Each ODM2 concept becomes a DbXrefs entry in the form ODM2:speciation/<id>, on either an existing BERVO concept or a new one. The ODM2 prefix expands to http://vocabulary.odm2.org/, so the emitted IRI is the concept's own URI and the same prefix serves the other ODM2 vocabularies later.
  • The ODM2 identifier (usually a chemical formula) is kept as an exact synonym, and the ODM2 definition is quoted in the term's Comment.
  • Where a CHEBI term for the substance exists and was verified against OLS, it is added as a second cross-reference. Existing BERVO element and ion terms that lacked one gain it at the same time.
  • Chemical species sit under Chemical (BERVO:8000586): elements under Element, ions under Ion, and organic species under a new Organic compound with four subgroups (Polycyclic aromatic hydrocarbon, Alkane, Organohalogen compound, Phthalate ester). Isotopes sit under Isotope, and the two non-chemical concepts under Physical property.

ODM2 concepts mapped to existing BERVO terms

ODM2 concept BERVO term CHEBI added
Al Aluminum (BERVO:8000180)
C Carbon (BERVO:8000075)
Ca Calcium (BERVO:8000108) CHEBI:22984
Fe Iron (BERVO:8000182)
K Potassium (BERVO:8000198)
Mg Magnesium (BERVO:8000207) CHEBI:25107
N Nitrogen (BERVO:8000167) CHEBI:25555
Na Sodium (BERVO:8000143) CHEBI:26708
P Phosphorus (BERVO:8000001) CHEBI:28659
O2 Oxygen (BERVO:8000124)
NH4 Ammonium (BERVO:8000113) CHEBI:28938
CO3 Carbonate (BERVO:8000098) CHEBI:41609
HCO3 Bicarbonate (BERVO:8000141)
NO3 Nitrate (BERVO:8000168)
PO4 Phosphate (BERVO:8000138) CHEBI:18367
SO4 Sulfate (BERVO:8000228)
CO2 Carbon dioxide (BERVO:8000188) CHEBI:16526
CaCO3 Calcium carbonate (BERVO:8000094)
CH4 Methane (BERVO:8000024)
H2O Water (BERVO:8000102)
EC Electrical conductivity (BERVO:8000885)
pH pH (BERVO:8000261)

Two of the 145 concepts are not mapped: Not Applicable and Unknown are placeholders of the vocabulary rather than speciations. The SKOS export also describes the scheme itself, which is not a concept.

Points to note

  • ODM2 Cl is defined as "expressed as chlorine", so it maps to the new element Chlorine, not to Chloride (BERVO:8000036). Chloride's exact synonym Cl becomes Cl-, with Cl kept as a related synonym, so that no exact synonym names two terms.
  • ODM2 NO2 is nitrite. It maps to the new Nitrite, not to Nitrogen dioxide (BERVO:8000123), whose synonym is also NO2.
  • ODM2 SiO2 is defined as "expressed as silicate". The BERVO term is Silicon dioxide, with silica as a synonym, and the comment carries the ODM2 wording.
  • ODM2 O2 maps to Oxygen (BERVO:8000124), which sits under Element with O2 as a synonym. No CHEBI cross-reference is added there, because the term is used for dioxygen and the parent says element.
  • Twelve ODM2 concepts are molecular formulas that stand for several isomers ("C16H10, e.g., fluoranthene, pyrene"). Six of them get a formula-based label such as C16H10 aromatic hydrocarbons, with the named isomers as related synonyms and no CHEBI cross-reference. The rest, such as dichloroethane, trichloroethane, dichlorobenzene, and the methylated naphthalenes, get the generic name, and a CHEBI class cross-reference only where CHEBI has the generic class.
  • The cross-reference local part is the slug from the SKOS rdf:about, which differs from the displayed label where the label has spaces or parentheses: delta2H for "delta 2H", C10H6_CH3_2 for "C10H6(CH3)2". Each emitted IRI was checked on 2026-09-17 and redirects (301) to the same path with a trailing slash, which returns the concept page.
  • ODM2 defines CH3Hg as "Expressed at methylmercury". The typo is verbatim in the export and is quoted as is.
  • The n-alkane series runs C15 to C29 and then C31. ODM2 has no C30 concept.
  • C12H10 aromatic hydrocarbons sits under Organic compound rather than Polycyclic aromatic hydrocarbon, because biphenyl's rings are not fused.
  • Methane (BERVO:8000024) moves under the new Alkane, beside Ethane.
  • Total alkalinity has no CHEBI term. It sits under Physical property beside pH.
  • Aluminum (BERVO:8000180) already carries CHEBI:33620, which is "aluminium molecular entity" rather than the atom. It is left as it was.

New terms

BERVO term Parent ODM2 concept CHEBI
Organic compound (BERVO:8000590) Chemical CHEBI:50860
Polycyclic aromatic hydrocarbon (BERVO:8000591) Organic compound CHEBI:33848
Alkane (BERVO:8000592) Organic compound CHEBI:18310
Organohalogen compound (BERVO:8000593) Organic compound CHEBI:17792
Phthalate ester (BERVO:8000594) Organic compound CHEBI:35484
Silver (BERVO:8000595) Element Ag CHEBI:30512
Arsenic (BERVO:8000596) Element As CHEBI:27563
Boron (BERVO:8000597) Element B CHEBI:27560
Barium (BERVO:8000598) Element Ba CHEBI:32594
Beryllium (BERVO:8000599) Element Be CHEBI:30501
Bromine (BERVO:8000600) Element Br CHEBI:22927
Cadmium (BERVO:8000601) Element Cd CHEBI:22977
Chlorine (BERVO:8000602) Element Cl CHEBI:23116
Cobalt (BERVO:8000603) Element Co CHEBI:27638
Chromium (BERVO:8000604) Element Cr CHEBI:28073
Copper (BERVO:8000605) Element Cu CHEBI:28694
Fluorine (BERVO:8000606) Element F CHEBI:24061
Mercury (BERVO:8000607) Element Hg CHEBI:25195
Manganese (BERVO:8000608) Element Mn CHEBI:18291
Molybdenum (BERVO:8000609) Element Mo CHEBI:28685
Nickel (BERVO:8000610) Element Ni CHEBI:28112
Lead (BERVO:8000611) Element Pb CHEBI:25016
Radium (BERVO:8000612) Element Ra CHEBI:33325
Rhenium (BERVO:8000613) Element Re CHEBI:49882
Sulfur (BERVO:8000614) Element S CHEBI:26833
Antimony (BERVO:8000615) Element Sb CHEBI:30513
Selenium (BERVO:8000616) Element Se CHEBI:27568
Silicon (BERVO:8000617) Element Si CHEBI:27573
Tin (BERVO:8000618) Element Sn CHEBI:27007
Strontium (BERVO:8000619) Element Sr CHEBI:33324
Thorium (BERVO:8000620) Element Th CHEBI:33385
Titanium (BERVO:8000621) Element Ti CHEBI:33341
Thallium (BERVO:8000622) Element Tl CHEBI:30440
Uranium (BERVO:8000623) Element U CHEBI:27214
Vanadium (BERVO:8000624) Element V CHEBI:27698
Zinc (BERVO:8000625) Element Zn CHEBI:27363
Zirconium (BERVO:8000626) Element Zr CHEBI:33342
Nitrite (BERVO:8000627) Ion NO2 CHEBI:16301
Cyanide (BERVO:8000628) Ion CN- CHEBI:17514
Methylmercury (BERVO:8000629) Ion CH3Hg CHEBI:49747
Silicon dioxide (BERVO:8000630) Chemical SiO2 CHEBI:30563
Deuterium (BERVO:8000631) Isotope delta 2H CHEBI:29237
Nitrogen-15 (BERVO:8000632) Isotope delta N15 CHEBI:36934
Oxygen-18 (BERVO:8000633) Isotope delta O18 CHEBI:33815
Total alkalinity (BERVO:8000634) Physical property TA
Naphthalene (BERVO:8000635) Polycyclic aromatic hydrocarbon C10H8 CHEBI:16482
Methylnaphthalene (BERVO:8000636) Polycyclic aromatic hydrocarbon C10H7CH3 CHEBI:50715
Dimethylnaphthalene (BERVO:8000637) Polycyclic aromatic hydrocarbon C10H6(CH3)2 CHEBI:48853
Trimethylnaphthalene (BERVO:8000638) Polycyclic aromatic hydrocarbon C10H5(CH3)3
Tetramethylnaphthalene (BERVO:8000639) Polycyclic aromatic hydrocarbon C10H4(CH3)4
Ethylnaphthalene (BERVO:8000640) Polycyclic aromatic hydrocarbon C10H7C2H5
Acenaphthylene (BERVO:8000641) Polycyclic aromatic hydrocarbon C12H8 CHEBI:33081
C12H10 aromatic hydrocarbons (BERVO:8000642) Organic compound C12H10
Fluorene (BERVO:8000643) Polycyclic aromatic hydrocarbon C13H10 CHEBI:28266
Methylfluorene (BERVO:8000644) Polycyclic aromatic hydrocarbon C14H12
Phenanthrene (BERVO:8000645) Polycyclic aromatic hydrocarbon C14H10 CHEBI:28851
C15H12 aromatic hydrocarbons (BERVO:8000646) Polycyclic aromatic hydrocarbon C15H12
C16H10 aromatic hydrocarbons (BERVO:8000647) Polycyclic aromatic hydrocarbon C16H10
Dimethylphenanthrene (BERVO:8000648) Polycyclic aromatic hydrocarbon C16H14
C17H12 aromatic hydrocarbons (BERVO:8000649) Polycyclic aromatic hydrocarbon C17H12
C18H12 aromatic hydrocarbons (BERVO:8000650) Polycyclic aromatic hydrocarbon C18H12
Retene (BERVO:8000651) Polycyclic aromatic hydrocarbon C18H18
Methylchrysene (BERVO:8000652) Polycyclic aromatic hydrocarbon C19H14
C20H12 aromatic hydrocarbons (BERVO:8000653) Polycyclic aromatic hydrocarbon C20H12
Dibenz[a,h]anthracene (BERVO:8000654) Polycyclic aromatic hydrocarbon C22H14 CHEBI:35299
Dibenzofuran (BERVO:8000655) Organic compound C12H8O CHEBI:28145
Dibenzothiophene (BERVO:8000656) Organic compound C12H8S CHEBI:23681
Methyldibenzothiophene (BERVO:8000657) Organic compound C13H10S
Carbazole (BERVO:8000658) Organic compound C12H9N CHEBI:27543
Benzene (BERVO:8000659) Organic compound C6H6 CHEBI:16716
Toluene (BERVO:8000660) Organic compound C7H8 CHEBI:17578
Ethylbenzene (BERVO:8000661) Organic compound C8H10 CHEBI:16101
Xylene (BERVO:8000662) Organic compound C6H4(CH3)2 CHEBI:27338
Styrene (BERVO:8000663) Organic compound C8H8 CHEBI:27452
Phenol (BERVO:8000664) Organic compound C6H5OH CHEBI:15882
Aniline (BERVO:8000665) Organic compound C6H5NH2 CHEBI:17296
Nitrobenzene (BERVO:8000666) Organic compound C6H5NO2 CHEBI:27798
Dinitrophenol (BERVO:8000667) Organic compound C6H4N2O5 CHEBI:39352
Dinitrotoluene (BERVO:8000668) Organic compound C7H6N2O4 CHEBI:23822
Isophorone (BERVO:8000669) Organic compound C9H14O CHEBI:34800
Acetone (BERVO:8000670) Organic compound C3H6O CHEBI:15347
Butanone (BERVO:8000671) Organic compound C4H8O CHEBI:28398
Ethylene glycol (BERVO:8000672) Organic compound C2H6O2 CHEBI:30742
Diethyl phthalate (BERVO:8000673) Phthalate ester C12H14O4 CHEBI:34698
Benzyl butyl phthalate (BERVO:8000674) Phthalate ester C19H20O4
Dimethyl terephthalate (BERVO:8000675) Organic compound C10H10O4 CHEBI:156286
Ethane (BERVO:8000676) Alkane C2H6 CHEBI:42266
Pentadecane (BERVO:8000677) Alkane C15H32 CHEBI:28897
Hexadecane (BERVO:8000678) Alkane C16H34 CHEBI:45296
Heptadecane (BERVO:8000679) Alkane C17H36 CHEBI:16148
Octadecane (BERVO:8000680) Alkane C18H38 CHEBI:32926
Nonadecane (BERVO:8000681) Alkane C19H40 CHEBI:32927
Icosane (BERVO:8000682) Alkane C20H42 CHEBI:43619
Henicosane (BERVO:8000683) Alkane C21H44 CHEBI:32931
Docosane (BERVO:8000684) Alkane C22H46 CHEBI:46050
Tricosane (BERVO:8000685) Alkane C23H48 CHEBI:32934
Tetracosane (BERVO:8000686) Alkane C24H50 CHEBI:32936
Pentacosane (BERVO:8000687) Alkane C25H52 CHEBI:32938
Hexacosane (BERVO:8000688) Alkane C26H54 CHEBI:32940
Heptacosane (BERVO:8000689) Alkane C27H56 CHEBI:32941
Octacosane (BERVO:8000690) Alkane C28H58 CHEBI:32943
Nonacosane (BERVO:8000691) Alkane C29H60 CHEBI:7613
Hentriacontane (BERVO:8000692) Alkane C31H64 CHEBI:5659
Chloromethane (BERVO:8000693) Organohalogen compound CH3Cl CHEBI:36014
Dichloromethane (BERVO:8000694) Organohalogen compound CH2Cl2 CHEBI:15767
Chloroform (BERVO:8000695) Organohalogen compound CHCl3 CHEBI:35255
Bromomethane (BERVO:8000696) Organohalogen compound CH3Br CHEBI:39275
Bromoform (BERVO:8000697) Organohalogen compound CHBr3 CHEBI:38682
Bromodichloromethane (BERVO:8000698) Organohalogen compound CHBrCl2 CHEBI:34591
Dibromochloromethane (BERVO:8000699) Organohalogen compound CHBr2Cl CHEBI:34627
Chloroethane (BERVO:8000700) Organohalogen compound C2H5Cl CHEBI:47554
Dichloroethane (BERVO:8000701) Organohalogen compound C2H4Cl2
Trichloroethane (BERVO:8000702) Organohalogen compound C2H3Cl3
Tetrachloroethane (BERVO:8000703) Organohalogen compound C2H2Cl4
Hexachloroethane (BERVO:8000704) Organohalogen compound C2Cl6 CHEBI:39227
Chloroethene (BERVO:8000705) Organohalogen compound C2H3Cl CHEBI:28509
Trichloroethene (BERVO:8000706) Organohalogen compound C2HCl3 CHEBI:16602
Tetrachloroethene (BERVO:8000707) Organohalogen compound C2Cl4 CHEBI:17300
Hexachlorobutadiene (BERVO:8000708) Organohalogen compound C4Cl6 CHEBI:5691
Hexachlorocyclopentadiene (BERVO:8000709) Organohalogen compound C5Cl6
Bis(2-chloroethyl) ether (BERVO:8000710) Organohalogen compound C4H8Cl2O CHEBI:34573
Chlorobenzene (BERVO:8000711) Organohalogen compound C6H5Cl CHEBI:28097
Dichlorobenzene (BERVO:8000712) Organohalogen compound C6H4Cl2 CHEBI:23697
Trichlorobenzene (BERVO:8000713) Organohalogen compound C6H3Cl3 CHEBI:27096
Hexachlorobenzene (BERVO:8000714) Organohalogen compound C6Cl6 CHEBI:5692
Pentachlorophenol (BERVO:8000715) Organohalogen compound C6HCl5O CHEBI:17642