Tricaine methanesulfonate
Everything that changed this flow. Back to the flow
df8def63-a598-41e0-9856-1a9368304b00
By field
13 fields| Field | Changes | Written by | Latest note |
|---|---|---|---|
| properties | 5 | enrich_references, normalise_property_values, opsin_iupac, rdkit_post_consensus, rdkit_pre_consensus | typed the way the ontology types it |
| altLabel | 4 | chebi_altlabels, consensus_match, strip_catalogue_altlabels | Removed 4 catalogue altLabel value(s): 'MS 222' (grade code), 'MS-222' (grade code), 'NSC 93790' (registry code), 'TS 222' (grade code) |
| prefLabel | 3 | bootstrap_labels, consensus_match, normalize_name_case | cas=886-86-2; cc_chebi_agreed_name='Tricaine methanesulfonate'; object_uuid=fo-58924de5b3cb081f |
| cas_match_labels | 1 | consensus_match | group_key=3-ethoxycarbonylaniliniummethanesulphonate||dimension=Environmental > media=Ground > geography=Unknown; group_sources=['chebi', 'ec_inventory', 'pubchem']; cas_sources={'886-86-2': ['chebi', 'ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-58924de5b3cb081f: {'886-86-2': 'exactMatch'} |
| concept_associations | 1 | carry_associations_onto_flows | associations resolved on the elementary layer |
| context | 1 | default_context_mapping | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to air > Emissions to air, unspecified (long-term) |
| context_iri | 1 | default_context_mapping | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to air > Emissions to air, unspecified (long-term) |
| name | 1 | bootstrap_labels | Purged legacy name field to enforce prefLabel usage |
| references | 1 | enrich_references | Added references with provenance; cas_numbers=['886-86-2']; matched_chebi_ids=['http://purl.obolibrary.org/obo/CHEBI_131331']; candidate_pubchem_cids=[13454, 261501, 73099572]; selected_pubchem_cids=[261501]; formula_similarity_expected=[]; pubchem_selection_rule=curated_cas_then_formula_similarity_then_prefer_chebi_aligned_when_unambiguous_else_keep_all_cas_matches; single_cas_commonchem_link=yes |
| skos_definition | 1 | enrich_references | Merged ChEBI/PubChem definitions into skos:definition |
| synonyms | 1 | bootstrap_labels | Removed legacy synonyms field in favor of structured labels |
| types | 1 | link_flows_to_their_substance | the substance's answer, copied onto its flow |
| unit_iri | 1 | unit_normalization | Unit IRI set from normalization of 'kg' |
Where several steps wrote one field, the last one won — and the log below shows the sequence.
Changes
22| # | Step | Field | From | To | Why |
|---|---|---|---|---|---|
| 4,729 | bootstrap_labels | prefLabel | — | [{"@value":"3-ethoxycarbonylanilinium methanesulphonate","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_la… | Bootstrapped prefLabel from legacy name field |
| 4,730 | bootstrap_labels | name | 3-ethoxycarbonylanilinium methanesulphonate | — | Purged legacy name field to enforce prefLabel usage |
| 4,731 | bootstrap_labels | synonyms | ["(3-ethoxycarbonylphenyl)azanium","3-Aminobenzoic acid ethyl ester methanesulfonate","AC1L21RI","BENZOIC ACID, 3-AMINO… | [] | Removed legacy synonyms field in favor of structured labels |
| 182,932 | default_context_mapping | context | — | {"dimension":"Environmental","media":"Air","strata":"Long-term"} | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to air > Emissions to air, unspecified (long-term) |
| 182,933 | default_context_mapping | context_iri | — | https://vocab.brightway.one/flow-contexts/envi-air-lote | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to air > Emissions to air, unspecified (long-term) |
| 214,919 | unit_normalization | unit_iri | — | https://vocab.brightway.one/units/unit/KiloGM | Unit IRI set from normalization of 'kg' |
| 222,182 | normalize_name_case | prefLabel | [{"@value":"3-ethoxycarbonylanilinium methanesulphonate","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_la… | [{"@value":"3-ethoxycarbonylanilinium Methanesulphonate","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_la… | Title-cased words without internal capitals (preserved words with uppercase letters beyond the first character) |
| 231,727 | enrich_references | properties | {} | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C10H15NO5S… | Added ChEBI/PubChem properties (chebi_ids=1, pubchem_cids=1) |
| 231,728 | enrich_references | skos_definition | — | [{"@value":"A methanesulfonate salt obtained by reaction of tricaine with one molar equivalent of methanesulfonic acid.… | Merged ChEBI/PubChem definitions into skos:definition |
| 231,729 | enrich_references | references | [] | [{"@id":"https://chem.echa.europa.eu/100.011.779","provenance":{"prov:wasGeneratedBy":"enrich_references.pubchem_identi… | Added references with provenance; cas_numbers=['886-86-2']; matched_chebi_ids=['http://purl.obolibrary.org/obo/CHEBI_131331']; candidate_pubchem_cids=[13454, 261501, 73099572]; selected_pubchem_cids=[261501]; formula_similarity_expected=[]; pubchem_selection_rule=curated_cas_then_formula_similarity_then_prefer_chebi_aligned_when_unambiguous_else_keep_all_cas_matches; single_cas_commonchem_link=yes |
| 249,625 | rdkit_pre_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C10H15NO5S… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C10H15NO5S… | rdkit_pre_consensus from 'CCOC(=O)C1=CC(=CC=C1)N.CS(=O)(=O)O'; added: monoisotopic_mass |
| 254,974 | chebi_altlabels | altLabel | [] | [{"@value":"3-(ethoxycarbonyl)anilinium methanesulfonate","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altla… | Added 15 ChEBI synonym(s) as altLabel from 1 linked ChEBI record(s) |
| 262,007 | consensus_match | prefLabel | [{"@value":"3-ethoxycarbonylanilinium Methanesulphonate","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_la… | [{"@value":"Tricaine methanesulfonate","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttr… | cas=886-86-2; cc_chebi_agreed_name='Tricaine methanesulfonate'; object_uuid=fo-58924de5b3cb081f |
| 262,008 | consensus_match | altLabel | [{"@value":"3-(ethoxycarbonyl)anilinium methanesulfonate","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altla… | [{"@value":"3-(ethoxycarbonyl)anilinium methanesulfonate","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altla… | cas=886-86-2; added original name as altLabel after CC/ChEBI rename; object_uuid=fo-58924de5b3cb081f |
| 262,009 | consensus_match | altLabel | [{"@value":"3-(ethoxycarbonyl)anilinium methanesulfonate","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altla… | [{"@value":"3-(ethoxycarbonyl)anilinium methanesulfonate","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altla… | group_key=3-ethoxycarbonylaniliniummethanesulphonate||dimension=Environmental > media=Ground > geography=Unknown; cas=886-86-2; added Common Chemistry CAS names as altLabel: Benzoic acid, 3-amino-, ethyl ester, methanesulfonate, Benzoic acid, 3-amino-, ethyl ester, methanesulfonate (1:1), Benzoic acid, <em>m</em>-amino-, ethyl ester, methanesulfonate, Ethyl 3-aminobenzoate methanesulfonate, MS 222, Metacain, Metacaine, NSC 93790; object_uuid=fo-58924de5b3cb081f |
| 262,010 | consensus_match | cas_match_labels | — | {"886-86-2":"exactMatch"} | group_key=3-ethoxycarbonylaniliniummethanesulphonate||dimension=Environmental > media=Ground > geography=Unknown; group_sources=['chebi', 'ec_inventory', 'pubchem']; cas_sources={'886-86-2': ['chebi', 'ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-58924de5b3cb081f: {'886-86-2': 'exactMatch'} |
| 274,753 | opsin_iupac | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C10H15NO5S… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C10H15NO5S… | opsin_iupac: set authoritative IUPAC name, SMILES, InChI from '3-(ethoxycarbonyl)anilinium methanesulfonate' |
| 281,222 | rdkit_post_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C10H15NO5S… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C10H15NO5S… | rdkit_post_consensus from 'CCOC(=O)c1cccc([NH3+])c1.CS(=O)(=O)[O-]'; confirmed: smiles_string, inchi2d_string, inchi2d_key_string, molecular_formula, molecular_mass, monoisotopic_mass |
| 288,223 | strip_catalogue_altlabels | altLabel | [{"@value":"3-(ethoxycarbonyl)anilinium methanesulfonate","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altla… | [{"@value":"3-(ethoxycarbonyl)anilinium methanesulfonate","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altla… | Removed 4 catalogue altLabel value(s): 'MS 222' (grade code), 'MS-222' (grade code), 'NSC 93790' (registry code), 'TS 222' (grade code) |
| 372,493 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/df8def63-a598-… | associations resolved on the elementary layer |
| 389,064 | normalise_property_values | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C10H15NO5S… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C10H15NO5S… | typed the way the ontology types it |
| 396,062 | link_flows_to_their_substance | types | — | ["https://w3id.org/chemrof/ChemicalSalt"] | the substance's answer, copied onto its flow |
PROV-O trail
22 activitiesOne activity per change: which version of the flow it consumed, and which it produced. The values are on the change with the same number — stored once, not twice.
| Activity | Field | Agent | Used | Generated |
|---|---|---|---|---|
| ef:activity/change/20260821T1554374006150000/4729 | prefLabel | ef:agent/bootstrap_labels | ef:flow/df8def63-a598-41e0-9856-1a9368304b00/v0 | ef:flow/df8def63-a598-41e0-9856-1a9368304b00/v1 |
| ef:activity/change/20260821T1554374006150000/4730 | name | ef:agent/bootstrap_labels | ef:flow/df8def63-a598-41e0-9856-1a9368304b00/v1 | ef:flow/df8def63-a598-41e0-9856-1a9368304b00/v2 |
| ef:activity/change/20260821T1554374006150000/4731 | synonyms | ef:agent/bootstrap_labels | ef:flow/df8def63-a598-41e0-9856-1a9368304b00/v2 | ef:flow/df8def63-a598-41e0-9856-1a9368304b00/v3 |
| ef:activity/change/20260821T1554374006150000/182932 | context | ef:agent/default_context_mapping | ef:flow/df8def63-a598-41e0-9856-1a9368304b00/v3 | ef:flow/df8def63-a598-41e0-9856-1a9368304b00/v4 |
| ef:activity/change/20260821T1554374006150000/182933 | context_iri | ef:agent/default_context_mapping | ef:flow/df8def63-a598-41e0-9856-1a9368304b00/v4 | ef:flow/df8def63-a598-41e0-9856-1a9368304b00/v5 |
| ef:activity/change/20260821T1554374006150000/214919 | unit_iri | ef:agent/unit_normalization | ef:flow/df8def63-a598-41e0-9856-1a9368304b00/v5 | ef:flow/df8def63-a598-41e0-9856-1a9368304b00/v6 |
| ef:activity/change/20260821T1554374006150000/222182 | prefLabel | ef:agent/normalize_name_case | ef:flow/df8def63-a598-41e0-9856-1a9368304b00/v6 | ef:flow/df8def63-a598-41e0-9856-1a9368304b00/v7 |
| ef:activity/change/20260821T1554374006150000/231727 | properties | ef:agent/enrich_references | ef:flow/df8def63-a598-41e0-9856-1a9368304b00/v7 | ef:flow/df8def63-a598-41e0-9856-1a9368304b00/v8 |
| ef:activity/change/20260821T1554374006150000/231728 | skos_definition | ef:agent/enrich_references | ef:flow/df8def63-a598-41e0-9856-1a9368304b00/v8 | ef:flow/df8def63-a598-41e0-9856-1a9368304b00/v9 |
| ef:activity/change/20260821T1554374006150000/231729 | references | ef:agent/enrich_references | ef:flow/df8def63-a598-41e0-9856-1a9368304b00/v9 | ef:flow/df8def63-a598-41e0-9856-1a9368304b00/v10 |
| ef:activity/change/20260821T1554374006150000/249625 | properties | ef:agent/rdkit_pre_consensus | ef:flow/df8def63-a598-41e0-9856-1a9368304b00/v10 | ef:flow/df8def63-a598-41e0-9856-1a9368304b00/v11 |
| ef:activity/change/20260821T1554374006150000/254974 | altLabel | ef:agent/chebi_altlabels | ef:flow/df8def63-a598-41e0-9856-1a9368304b00/v11 | ef:flow/df8def63-a598-41e0-9856-1a9368304b00/v12 |
| ef:activity/change/20260821T1554374006150000/262007 | prefLabel | ef:agent/consensus_match | ef:flow/df8def63-a598-41e0-9856-1a9368304b00/v12 | ef:flow/df8def63-a598-41e0-9856-1a9368304b00/v13 |
| ef:activity/change/20260821T1554374006150000/262008 | altLabel | ef:agent/consensus_match | ef:flow/df8def63-a598-41e0-9856-1a9368304b00/v13 | ef:flow/df8def63-a598-41e0-9856-1a9368304b00/v14 |
| ef:activity/change/20260821T1554374006150000/262009 | altLabel | ef:agent/consensus_match | ef:flow/df8def63-a598-41e0-9856-1a9368304b00/v14 | ef:flow/df8def63-a598-41e0-9856-1a9368304b00/v15 |
| ef:activity/change/20260821T1554374006150000/262010 | cas_match_labels | ef:agent/consensus_match | ef:flow/df8def63-a598-41e0-9856-1a9368304b00/v15 | ef:flow/df8def63-a598-41e0-9856-1a9368304b00/v16 |
| ef:activity/change/20260821T1554374006150000/274753 | properties | ef:agent/opsin_iupac | ef:flow/df8def63-a598-41e0-9856-1a9368304b00/v16 | ef:flow/df8def63-a598-41e0-9856-1a9368304b00/v17 |
| ef:activity/change/20260821T1554374006150000/281222 | properties | ef:agent/rdkit_post_consensus | ef:flow/df8def63-a598-41e0-9856-1a9368304b00/v17 | ef:flow/df8def63-a598-41e0-9856-1a9368304b00/v18 |
| ef:activity/change/20260821T1554374006150000/288223 | altLabel | ef:agent/strip_catalogue_altlabels | ef:flow/df8def63-a598-41e0-9856-1a9368304b00/v18 | ef:flow/df8def63-a598-41e0-9856-1a9368304b00/v19 |
| ef:activity/change/20260821T1554374006150000/372493 | concept_associations | ef:agent/carry_associations_onto_flows | ef:flow/df8def63-a598-41e0-9856-1a9368304b00/v19 | ef:flow/df8def63-a598-41e0-9856-1a9368304b00/v20 |
| ef:activity/change/20260821T1554374006150000/389064 | properties | ef:agent/normalise_property_values | ef:flow/df8def63-a598-41e0-9856-1a9368304b00/v20 | ef:flow/df8def63-a598-41e0-9856-1a9368304b00/v21 |
| ef:activity/change/20260821T1554374006150000/396062 | types | ef:agent/link_flows_to_their_substance | ef:flow/df8def63-a598-41e0-9856-1a9368304b00/v21 | ef:flow/df8def63-a598-41e0-9856-1a9368304b00/v22 |