| c |
<flask.g of 'ckan.config.middleware.flask_app'> |
| g |
<flask.g of 'ckan.config.middleware.flask_app'> |
| h |
{'redirect_to': <function redirect_to at 0x7f0d1b98b1e0>, 'url': <function url at 0x7f0d1b98b2f0>, 'get_site_protocol_and_host': <function get_site_protocol_and_host at 0x7f0d1b98b268>, 'url_for': <function url_for at 0x7f0d1b98b488>, 'url_for_static': <function url_for_static at 0x7f0d1b98b620>, 'url_for_static_or_external': <function url_for_static_or_external at 0x7f0d1b98b6a8>, 'is_url': <function is_url at 0x7f0d1b98b730>, 'url_is_local': <function url_is_local at 0x7f0d1b98b840>, 'full_current_url': <function full_current_url at 0x7f0d1b98b8c8>, 'current_url': <function current_url at 0x7f0d1b98b950>, 'lang': <function lang at 0x7f0d1b98b9d8>, 'ckan_version': <function ckan_version at 0x7f0d1b98ba60>, 'lang_native_name': <function lang_native_name at 0x7f0d1b98bae8>, 'is_rtl_language': <function is_rtl_language at 0x7f0d1b98bb70>, 'get_rtl_theme': <function get_rtl_theme at 0x7f0d1b98bbf8>, 'get_rtl_css': <function get_rtl_css at 0x7f0d1b98bc80>, 'flash_notice': <function flash_notice at 0x7f0d1b98bd08>, 'flash_error': <function flash_error at 0x7f0d1b98d1e0>, 'flash_success': <function flash_success at 0x7f0d1b98d268>, 'are_there_flash_messages': <function are_there_flash_messages at 0x7f0d1b98d2f0>, 'link_to': <function link_to at 0x7f0d1b98d730>, 'file': <function file at 0x7f0d1b98d7b8>, 'submit': <function submit at 0x7f0d1b98d840>, 'nav_link': <function nav_link at 0x7f0d1b98d8c8>, 'wrapped': <function deprecated.<locals>.decorator.<locals>.wrapped at 0x7f0d1b98e7b8>, 'build_nav_main': <function build_nav_main at 0x7f0d1b98da60>, 'build_nav_icon': <function build_nav_icon at 0x7f0d1b98de18>, 'build_nav': <function build_nav at 0x7f0d1b98dea0>, 'build_extra_admin_nav': <function build_extra_admin_nav at 0x7f0d1b98e048>, 'default_group_type': <function default_group_type at 0x7f0d1b98e158>, 'get_facet_items_dict': <function get_facet_items_dict at 0x7f0d1b98e1e0>, 'has_more_facets': <function has_more_facets at 0x7f0d1b98e268>, 'unselected_facet_items': <function unselected_facet_items at 0x7f0d1b98e2f0>, 'get_param_int': <function get_param_int at 0x7f0d1b98e378>, 'sorted_extras': <function sorted_extras at 0x7f0d1b98e598>, 'check_access': <function check_access at 0x7f0d1b98e620>, 'linked_user': <function linked_user at 0x7f0d1b98e6a8>, 'group_name_to_title': <function group_name_to_title at 0x7f0d1b98e840>, 'truncate': <function truncate at 0x7f0d1b98e8c8>, 'markdown_extract': <function markdown_extract at 0x7f0d1b98e950>, 'icon_url': <function icon_url at 0x7f0d1b98e9d8>, 'icon_html': <function icon_html at 0x7f0d1b98ea60>, 'icon': <function icon at 0x7f0d1b98eae8>, 'resource_icon': <function resource_icon at 0x7f0d1b98eb70>, 'format_icon': <function format_icon at 0x7f0d1b98ebf8>, 'dict_list_reduce': <function dict_list_reduce at 0x7f0d1b98ec80>, 'gravatar': <function gravatar at 0x7f0d1b98ed08>, 'sanitize_url': <function sanitize_url at 0x7f0d1b98ed90>, 'user_image': <function user_image at 0x7f0d1b98ee18>, 'pager_url': <function pager_url at 0x7f0d1b98eea0>, 'get_page_number': <function get_page_number at 0x7f0d1b98ef28>, 'get_display_timezone': <function get_display_timezone at 0x7f0d1b98f048>, 'render_datetime': <function render_datetime at 0x7f0d1b98f0d0>, 'date_str_to_datetime': <function date_str_to_datetime at 0x7f0d1b98f158>, 'parse_rfc_2822_date': <function parse_rfc_2822_date at 0x7f0d1b98f1e0>, 'time_ago_from_timestamp': <function time_ago_from_timestamp at 0x7f0d1b98f268>, 'button_attr': <function button_attr at 0x7f0d1b98f510>, 'dataset_display_name': <function dataset_display_name at 0x7f0d1b98f598>, 'dataset_link': <function dataset_link at 0x7f0d1b98f620>, 'resource_display_name': <function resource_display_name at 0x7f0d1b98f6a8>, 'resource_link': <function resource_link at 0x7f0d1b98f730>, 'tag_link': <function tag_link at 0x7f0d1b98f7b8>, 'group_link': <function group_link at 0x7f0d1b98f840>, 'organization_link': <function organization_link at 0x7f0d1b98f8c8>, 'dump_json': <function dump_json at 0x7f0d1b98f950>, 'auto_log_message': <function auto_log_message at 0x7f0d1b98f9d8>, 'activity_div': <function activity_div at 0x7f0d1b98fa60>, 'snippet': <function snippet at 0x7f0d1b98fae8>, 'convert_to_dict': <function convert_to_dict at 0x7f0d1b98fb70>, 'follow_button': <function follow_button at 0x7f0d1b98fbf8>, 'follow_count': <function follow_count at 0x7f0d1b98fc80>, 'add_url_param': <function add_url_param at 0x7f0d1b98fd90>, 'remove_url_param': <function remove_url_param at 0x7f0d1b98fe18>, 'include_resource': <function include_resource at 0x7f0d1b98fea0>, 'urls_for_resource': <function urls_for_resource at 0x7f0d1b98ff28>, 'debug_inspect': <function debug_inspect at 0x7f0d1b990048>, 'popular': <function popular at 0x7f0d1b9900d0>, 'groups_available': <function groups_available at 0x7f0d1b990158>, 'organizations_available': <function organizations_available at 0x7f0d1b9901e0>, 'roles_translated': <function roles_translated at 0x7f0d1b990268>, 'user_in_org_or_group': <function user_in_org_or_group at 0x7f0d1b9902f0>, 'dashboard_activity_stream': <function dashboard_activity_stream at 0x7f0d1b990378>, 'recently_changed_packages_activity_stream': <function recently_changed_packages_activity_stream at 0x7f0d1b990400>, 'escape_js': <function escape_js at 0x7f0d1b990488>, 'get_pkg_dict_extra': <function get_pkg_dict_extra at 0x7f0d1b990510>, 'get_request_param': <function get_request_param at 0x7f0d1b990598>, 'html_auto_link': <function html_auto_link at 0x7f0d1b990620>, 'render_markdown': <function render_markdown at 0x7f0d1b9906a8>, 'format_resource_items': <function format_resource_items at 0x7f0d1b990730>, 'resource_preview': <function resource_preview at 0x7f0d1b9907b8>, 'get_allowed_view_types': <function get_allowed_view_types at 0x7f0d1b990840>, 'rendered_resource_view': <function rendered_resource_view at 0x7f0d1b9908c8>, 'view_resource_url': <bound method ResourceProxy.view_resource_url of <Plugin ResourceProxy 'resource_proxy'>>, 'resource_view_is_filterable': <function resource_view_is_filterable at 0x7f0d1b9909d8>, 'resource_view_get_fields': <function resource_view_get_fields at 0x7f0d1b990a60>, 'resource_view_is_iframed': <function resource_view_is_iframed at 0x7f0d1b990ae8>, 'resource_view_icon': <function resource_view_icon at 0x7f0d1b990b70>, 'resource_view_display_preview': <function resource_view_display_preview at 0x7f0d1b990bf8>, 'resource_view_full_page': <function resource_view_full_page at 0x7f0d1b990c80>, 'remove_linebreaks': <function remove_linebreaks at 0x7f0d1b990d08>, 'list_dict_filter': <function list_dict_filter at 0x7f0d1b990d90>, 'SI_number_span': <function SI_number_span at 0x7f0d1b990e18>, 'new_activities': <function new_activities at 0x7f0d1b990ea0>, 'uploads_enabled': <function uploads_enabled at 0x7f0d1b990f28>, 'get_featured_organizations': <function get_featured_organizations at 0x7f0d1b991048>, 'get_featured_groups': <function get_featured_groups at 0x7f0d1b9910d0>, 'featured_group_org': <function featured_group_org at 0x7f0d1b991158>, 'get_site_statistics': <function get_site_statistics at 0x7f0d1b9911e0>, 'resource_formats': <function resource_formats at 0x7f0d1b991268>, 'unified_resource_format': <function unified_resource_format at 0x7f0d1b9912f0>, 'check_config_permission': <function check_config_permission at 0x7f0d1b991378>, 'get_organization': <function get_organization at 0x7f0d1b991400>, 'license_options': <function license_options at 0x7f0d1b991488>, 'get_translated': <function get_translated at 0x7f0d1b991510>, 'facets': <function facets at 0x7f0d1b991598>, 'mail_to': <function mail_to at 0x7f0d1b991620>, 'radio': <function radio at 0x7f0d1b9916a8>, 'clean_html': <function clean_html at 0x7f0d1b991730>, 'flash': <ckan.lib.helpers._Flash object at 0x7f0d1c9ff828>, 'localised_number': <function localised_number at 0x7f0d1ca5b620>, 'localised_SI_number': <function localised_SI_number at 0x7f0d1ca5b730>, 'localised_nice_date': <function localised_nice_date at 0x7f0d1ca5b510>, 'localised_filesize': <function localised_filesize at 0x7f0d1ca5b6a8>, 'get_available_locales': <function get_available_locales at 0x7f0d1de36158>, 'get_locales_dict': <function get_locales_dict at 0x7f0d1de360d0>, 'literal': <class 'ckan.lib.helpers.literal'>, 'asbool': <function asbool at 0x7f0d1e2eb950>, 'urlencode': <function urlencode at 0x7f0d1f4acc80>, 'include_asset': <function include_asset at 0x7f0d1b986c80>, 'render_assets': <function render_assets at 0x7f0d1b986d90>, 'sanitize_id': <function sanitize_id at 0x7f0d1b991840>, 'compare_pkg_dicts': <function compare_pkg_dicts at 0x7f0d1b9918c8>, 'activity_list_select': <function activity_list_select at 0x7f0d1b991950>, 'get_collaborators': <function get_collaborators at 0x7f0d1b9919d8>, 'can_update_owner_org': <function can_update_owner_org at 0x7f0d1b991a60>, 'check_ckan_version': <function check_ckan_version at 0x7f0d1b991ae8>, 'csrf_input': <function csrf_input at 0x7f0d1b991b70>, 'related_resources': <function RelatedController.save_relationships at 0x7f0d18e189d8>, 'rdkit_visuals': <function RdkitVisualsController.display_image at 0x7f0d18e18488>, 'molecule_data': <function RdkitVisualsController.molecule_data at 0x7f0d18e18510>, 'alternate_names': <function RdkitVisualsController.alternames at 0x7f0d18e18598>, 'related_values': <function RdkitVisualsController.related_resources at 0x7f0d18e18620>, 'package_list_for_source': <function package_list_for_source at 0x7f0d08e1f7b8>, 'package_count_for_source': <function package_count_for_source at 0x7f0d08e1f598>, 'harvesters_info': <function harvesters_info at 0x7f0d08e1f620>, 'harvester_types': <function harvester_types at 0x7f0d08e1f510>, 'harvest_frequencies': <function harvest_frequencies at 0x7f0d08e1f400>, 'link_for_harvest_object': <function link_for_harvest_object at 0x7f0d08e1f488>, 'harvest_source_extra_fields': <function harvest_source_extra_fields at 0x7f0d08e1f2f0>, 'get_harvest_source': <function get_harvest_source at 0x7f0d08e1f378>, 'structured_data': <function structured_data at 0x7f0d192112f0>, 'relationship_get_entity_list': <function get_entity_list at 0x7f0d18ea20d0>, 'relationship_get_current_relations_list': <function get_current_relations_list at 0x7f0d18ea2400>, 'relationship_get_dataset_dict_from_dataset_id': <function get_dataset_dict_from_dataset_id at 0x7f0d18ea2378>, 'relationship_get_selected_json': <function get_selected_json at 0x7f0d18ea2950>, 'relationship_get_molecule_search_facets': <function get_molecule_search_facets at 0x7f0d18ea2ea0>, 'relationship_get_dataset_facets_for_molecule_search': <function get_dataset_facets_for_molecule_search at 0x7f0d18ea2f28>, 'scheming_language_text': <function scheming_language_text at 0x7f0d18f31d08>, 'scheming_field_choices': <function scheming_field_choices at 0x7f0d19014158>, 'scheming_choices_label': <function scheming_choices_label at 0x7f0d190141e0>, 'scheming_datastore_choices': <function scheming_datastore_choices at 0x7f0d19014268>, 'scheming_field_required': <function scheming_field_required at 0x7f0d190142f0>, 'scheming_dataset_schemas': <function scheming_dataset_schemas at 0x7f0d19014378>, 'scheming_get_presets': <function scheming_get_presets at 0x7f0d19014400>, 'scheming_get_preset': <function scheming_get_preset at 0x7f0d19014488>, 'scheming_get_dataset_schema': <function scheming_get_dataset_schema at 0x7f0d19014510>, 'scheming_get_dataset_form_pages': <function scheming_get_dataset_form_pages at 0x7f0d19014598>, 'scheming_group_schemas': <function scheming_group_schemas at 0x7f0d19014620>, 'scheming_get_group_schema': <function scheming_get_group_schema at 0x7f0d190146a8>, 'scheming_organization_schemas': <function scheming_organization_schemas at 0x7f0d19014730>, 'scheming_get_organization_schema': <function scheming_get_organization_schema at 0x7f0d190147b8>, 'scheming_get_schema': <function scheming_get_schema at 0x7f0d19014840>, 'scheming_field_by_name': <function scheming_field_by_name at 0x7f0d190148c8>, 'scheming_datetime_to_utc': <function scheming_datetime_to_utc at 0x7f0d190149d8>, 'scheming_datetime_to_tz': <function scheming_datetime_to_tz at 0x7f0d19014a60>, 'scheming_get_timezones': <function scheming_get_timezones at 0x7f0d19014ae8>, 'scheming_display_json_value': <function scheming_display_json_value at 0x7f0d19014b70>, 'scheming_render_from_string': <function scheming_render_from_string at 0x7f0d19014bf8>, 'scheming_flatten_subfield': <function scheming_flatten_subfield at 0x7f0d19014c80>, 'scheming_link_ts': <function scheming_link_ts at 0x7f0d19014d08>, 'scheming_get_source_unichem': <function scheming_get_source_unichem at 0x7f0d19014d90>, 'footer': <function FooterController.display_search_mol_image at 0x7f0d18e7b620>, 'searchbar': <function FooterController.searchbar at 0x7f0d18e7bea0>, 'mol_package_list': <function FooterController.mol_dataset_list at 0x7f0d18e7bf28>, 'package_list_for_every_inchi': <function FooterController.package_show_dict at 0x7f0d18e7c048>, 'get_molecule_data': <function FooterController.get_molecule_data at 0x7f0d18e7be18>, 'package_list': <function FooterPlugin.molecule_view_search at 0x7f0d18e7c8c8>, 'search_autocomplete_enable_default_implementation': <function enable_default_implementation at 0x7f0d18da0d90>, 'advanced_search_form_config': <function form_config at 0x7f0d18d986a8>, 'advanced_search_form_config_image': <function form_config_image at 0x7f0d18da0378>, 'spellcheck_did_you_mean': <function spellcheck_did_you_mean at 0x7f0d18d98ae8>, 'composite_search_get_prefix': <function get_prefix at 0x7f0d18ec5b70>, 'helper_available': <function helper_available at 0x7f0d19211268>, 'dcat_get_endpoint': <function get_endpoint at 0x7f0d19211ae8>, 'dcat_endpoints_enabled': <function endpoints_enabled at 0x7f0d19211a60>, 'repositories_dataset_present_count': <function repositories_dataset_present_count at 0x7f0d192a06a8>, 'get_measurement_count': <function get_measurement_count at 0x7f0d192a0730>} |
| packages |
[{'author_email': None, 'creator_user_id': '1be646ae-ab26-47b8-8835-e4b27f11961e', 'exactmass': '280.0630112', 'id': 'msbnk-athens_univ-au101502', 'inchi': 'InChI=1S/C11H12N4O3S/c1-18-11-7-6-10(13-14-11)15-19(16,17)9-4-2-8(12)3-5-9/h2-7H,12H2,1H3,(H,13,15)', 'inchi_key': 'VLYWMPOKSSWJAL-UHFFFAOYSA-N', 'isopen': False, 'license_id': 'CC BY-SA 4.0', 'license_title': 'Attribution-ShareAlike 4.0 International (CC BY-SA 4.0)', 'license_url': 'https://creativecommons.org/licenses/by-sa/4.0', 'maintainer_email': None, 'measurement_technique': 'liquid chromatography-mass spectrometry', 'measurement_technique_iri': 'http://purl.obolibrary.org/obo/CHMO_0000524', 'metadata_created': '2024-01-11T10:14:12.698431', 'metadata_modified': '2025-02-08T19:04:10.017038', 'metadata_published': '2015-09-22', 'mol_formula': 'C11H12N4O3S', 'name': 'msbnk-athens_univ-au101502', 'notes': 'This MassBank record with Accession MSBNK-Athens_Univ-AU101502 contains the MS2 mass spectrum of Sulfamethoxypyridazine with the InChIkey VLYWMPOKSSWJAL-UHFFFAOYSA-N.', 'num_resources': 1, 'num_tags': 0, 'organization': {'id': '156e8074-ae7b-4094-83cb-afb3529824c4', 'name': 'massbank', 'title': 'MassBank', 'type': 'repository', 'description': 'MassBank is an open source mass spectral library for the identification of small chemical molecules of metabolomics, exposomics and environmental relevance.', 'image_url': '2022-04-25-134442.697545massbank.jpeg', 'created': '2022-04-25T15:44:42.707561', 'is_organization': True, 'approval_status': 'approved', 'state': 'active'}, 'owner_org': '156e8074-ae7b-4094-83cb-afb3529824c4', 'private': False, 'related_study': '[]', 'smiles': 'COc1ccc(nn1)NS(=O)(=O)c2ccc(cc2)N', 'state': 'active', 'title': 'Sulfamethoxypyridazine', 'type': 'dataset', 'url': 'https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Athens_Univ-AU101502', 'extras': [{'key': 'license_url', 'value': 'https://creativecommons.org/licenses/by-sa/4.0'}, {'key': 'metadata_created', 'value': '2024-01-11T10:14:12.698431'}, {'key': 'metadata_modified', 'value': '2024-01-11T10:14:12.881633'}], 'resources': [{'cache_last_updated': None, 'cache_url': None, 'created': '2024-01-11T10:14:12.699871', 'datastore_active': False, 'format': 'HTML', 'hash': '', 'id': 'de0a0852-53bf-4b77-ac7b-f372436e7cdb', 'last_modified': None, 'metadata_modified': '2024-01-11T10:14:12.889395', 'mimetype': None, 'mimetype_inner': None, 'name': 'Sulfamethoxypyridazine', 'package_id': 'msbnk-athens_univ-au101502', 'position': 0, 'resource_type': 'HTML', 'size': None, 'state': 'active', 'url': 'https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Athens_Univ-AU101502', 'url_type': None}], 'tags': [], 'groups': [], 'relationships_as_subject': [], 'relationships_as_object': []}, {'author_email': None, 'creator_user_id': '1be646ae-ab26-47b8-8835-e4b27f11961e', 'exactmass': '312.1141742', 'id': 'msbnk-athens_univ-au156305', 'inchi': 'InChI=1S/C17H17ClN4/c18-12-5-6-15-16(11-12)21-17(22-9-7-19-8-10-22)13-3-1-2-4-14(13)20-15/h1-6,11,19-20H,7-10H2', 'inchi_key': 'JNNOSTQEZICQQP-UHFFFAOYSA-N', 'isopen': False, 'license_id': 'CC BY-SA 4.0', 'license_title': 'Attribution-ShareAlike 4.0 International (CC BY-SA 4.0)', 'license_url': 'https://creativecommons.org/licenses/by-sa/4.0', 'maintainer_email': None, 'measurement_technique': 'liquid chromatography-mass spectrometry', 'measurement_technique_iri': 'http://purl.obolibrary.org/obo/CHMO_0000524', 'metadata_created': '2024-01-11T09:51:04.140286', 'metadata_modified': '2025-02-08T19:04:09.709505', 'metadata_published': '2015-12-07', 'mol_formula': 'C17H17ClN4', 'name': 'msbnk-athens_univ-au156305', 'notes': 'This MassBank record with Accession MSBNK-Athens_Univ-AU156305 contains the MS2 mass spectrum of Norclozapine with the InChIkey JNNOSTQEZICQQP-UHFFFAOYSA-N.', 'num_resources': 1, 'num_tags': 0, 'organization': {'id': '156e8074-ae7b-4094-83cb-afb3529824c4', 'name': 'massbank', 'title': 'MassBank', 'type': 'repository', 'description': 'MassBank is an open source mass spectral library for the identification of small chemical molecules of metabolomics, exposomics and environmental relevance.', 'image_url': '2022-04-25-134442.697545massbank.jpeg', 'created': '2022-04-25T15:44:42.707561', 'is_organization': True, 'approval_status': 'approved', 'state': 'active'}, 'owner_org': '156e8074-ae7b-4094-83cb-afb3529824c4', 'private': False, 'related_study': '[]', 'smiles': 'C1CN(CCN1)C2=NC3=C(C=CC(=C3)Cl)NC4=CC=CC=C42', 'state': 'active', 'title': 'Norclozapine', 'type': 'dataset', 'url': 'https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Athens_Univ-AU156305', 'extras': [{'key': 'license_url', 'value': 'https://creativecommons.org/licenses/by-sa/4.0'}, {'key': 'metadata_created', 'value': '2024-01-11T09:51:04.140286'}, {'key': 'metadata_modified', 'value': '2024-01-11T09:51:04.280429'}], 'resources': [{'cache_last_updated': None, 'cache_url': None, 'created': '2024-01-11T09:51:04.141644', 'datastore_active': False, 'format': 'HTML', 'hash': '', 'id': '69dfd892-37b2-4ae2-86bc-304c58317173', 'last_modified': None, 'metadata_modified': '2024-01-11T09:51:04.286202', 'mimetype': None, 'mimetype_inner': None, 'name': 'Norclozapine', 'package_id': 'msbnk-athens_univ-au156305', 'position': 0, 'resource_type': 'HTML', 'size': None, 'state': 'active', 'url': 'https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Athens_Univ-AU156305', 'url_type': None}], 'tags': [], 'groups': [], 'relationships_as_subject': [], 'relationships_as_object': []}, {'author_email': None, 'creator_user_id': '1be646ae-ab26-47b8-8835-e4b27f11961e', 'exactmass': '198.0905463', 'id': 'msbnk-athens_univ-au243703', 'inchi': 'InChI=1S/C11H10N4/c1-15-9-5-4-8-7(3-2-6-13-8)10(9)14-11(15)12/h2-6H,1H3,(H2,12,14)', 'inchi_key': 'ARZWATDYIYAUTA-UHFFFAOYSA-N', 'isopen': False, 'license_id': 'CC-BY-4.0', 'license_title': 'Attribution 4.0 International (CC BY 4.0)', 'license_url': 'https://creativecommons.org/licenses/by/4.0', 'maintainer_email': None, 'measurement_technique': 'liquid chromatography-mass spectrometry', 'measurement_technique_iri': 'http://purl.obolibrary.org/obo/CHMO_0000524', 'metadata_created': '2024-01-11T09:44:35.122363', 'metadata_modified': '2025-02-08T19:04:09.400659', 'metadata_published': '2019-04-05', 'mol_formula': 'C11H10N4', 'name': 'msbnk-athens_univ-au243703', 'notes': 'This MassBank record with Accession MSBNK-Athens_Univ-AU243703 contains the MS2 mass spectrum of 2-Amino-3-methyl-imidazo[4,5-f]quinoline (IQ) with the InChIkey ARZWATDYIYAUTA-UHFFFAOYSA-N.', 'num_resources': 1, 'num_tags': 0, 'organization': {'id': '156e8074-ae7b-4094-83cb-afb3529824c4', 'name': 'massbank', 'title': 'MassBank', 'type': 'repository', 'description': 'MassBank is an open source mass spectral library for the identification of small chemical molecules of metabolomics, exposomics and environmental relevance.', 'image_url': '2022-04-25-134442.697545massbank.jpeg', 'created': '2022-04-25T15:44:42.707561', 'is_organization': True, 'approval_status': 'approved', 'state': 'active'}, 'owner_org': '156e8074-ae7b-4094-83cb-afb3529824c4', 'private': False, 'related_study': '[]', 'smiles': 'CN1C(N)=NC2=C1C=CC1=NC=CC=C21', 'state': 'active', 'title': '2-Amino-3-methyl-imidazo[4,5-f]quinoline (IQ)', 'type': 'dataset', 'url': 'https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Athens_Univ-AU243703', 'extras': [{'key': 'metadata_created', 'value': '2024-01-11T09:44:35.122363'}, {'key': 'metadata_modified', 'value': '2024-01-11T09:44:35.306903'}], 'resources': [{'cache_last_updated': None, 'cache_url': None, 'created': '2024-01-11T09:44:35.123828', 'datastore_active': False, 'format': 'HTML', 'hash': '', 'id': 'c6712091-07ec-4c90-b040-53b3eb76c413', 'last_modified': None, 'metadata_modified': '2024-01-11T09:44:35.313498', 'mimetype': None, 'mimetype_inner': None, 'name': '2-Amino-3-methyl-imidazo[4,5-f]quinoline (IQ)', 'package_id': 'msbnk-athens_univ-au243703', 'position': 0, 'resource_type': 'HTML', 'size': None, 'state': 'active', 'url': 'https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Athens_Univ-AU243703', 'url_type': None}], 'tags': [], 'groups': [], 'relationships_as_subject': [], 'relationships_as_object': []}, {'author_email': None, 'creator_user_id': '1be646ae-ab26-47b8-8835-e4b27f11961e', 'exactmass': '166.0966943', 'id': 'msbnk-athens_univ-au302110', 'inchi': 'InChI=1S/C6H10N6/c7-4-10-5(8)12-6(11-4)9-3-1-2-3/h3H,1-2H2,(H5,7,8,9,10,11,12)', 'inchi_key': 'LVQDKIWDGQRHTE-UHFFFAOYSA-N', 'isopen': False, 'license_id': 'CC-BY-4.0', 'license_title': 'Attribution 4.0 International (CC BY 4.0)', 'license_url': 'https://creativecommons.org/licenses/by/4.0', 'maintainer_email': None, 'measurement_technique': 'liquid chromatography-mass spectrometry', 'measurement_technique_iri': 'http://purl.obolibrary.org/obo/CHMO_0000524', 'metadata_created': '2024-01-11T10:08:38.930025', 'metadata_modified': '2025-02-08T19:04:09.086908', 'metadata_published': '2016-02-26', 'mol_formula': 'C6H10N6', 'name': 'msbnk-athens_univ-au302110', 'notes': 'This MassBank record with Accession MSBNK-Athens_Univ-AU302110 contains the MS2 mass spectrum of Cyromazine with the InChIkey LVQDKIWDGQRHTE-UHFFFAOYSA-N.', 'num_resources': 1, 'num_tags': 0, 'organization': {'id': '156e8074-ae7b-4094-83cb-afb3529824c4', 'name': 'massbank', 'title': 'MassBank', 'type': 'repository', 'description': 'MassBank is an open source mass spectral library for the identification of small chemical molecules of metabolomics, exposomics and environmental relevance.', 'image_url': '2022-04-25-134442.697545massbank.jpeg', 'created': '2022-04-25T15:44:42.707561', 'is_organization': True, 'approval_status': 'approved', 'state': 'active'}, 'owner_org': '156e8074-ae7b-4094-83cb-afb3529824c4', 'private': False, 'related_study': '[]', 'smiles': 'C1CC1Nc2nc(nc(n2)N)N', 'state': 'active', 'title': 'Cyromazine', 'type': 'dataset', 'url': 'https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Athens_Univ-AU302110', 'extras': [{'key': 'metadata_created', 'value': '2024-01-11T10:08:38.930025'}, {'key': 'metadata_modified', 'value': '2024-01-11T10:08:39.082026'}], 'resources': [{'cache_last_updated': None, 'cache_url': None, 'created': '2024-01-11T10:08:38.931495', 'datastore_active': False, 'format': 'HTML', 'hash': '', 'id': '02202011-e711-49c8-a9ea-fab90f20554d', 'last_modified': None, 'metadata_modified': '2024-01-11T10:08:39.088338', 'mimetype': None, 'mimetype_inner': None, 'name': 'Cyromazine', 'package_id': 'msbnk-athens_univ-au302110', 'position': 0, 'resource_type': 'HTML', 'size': None, 'state': 'active', 'url': 'https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Athens_Univ-AU302110', 'url_type': None}], 'tags': [], 'groups': [], 'relationships_as_subject': [], 'relationships_as_object': []}, {'author_email': None, 'creator_user_id': '1be646ae-ab26-47b8-8835-e4b27f11961e', 'exactmass': '170.1055277', 'id': 'msbnk-athens_univ-au160531', 'inchi': 'InChI=1S/C8H14N2O2/c1-2-6(8(9)12)10-5-3-4-7(10)11/h6H,2-5H2,1H3,(H2,9,12)/t6-/m1/s1', 'inchi_key': 'HPHUVLMMVZITSG-ZCFIWIBFSA-N', 'isopen': False, 'license_id': 'CC-BY-4.0', 'license_title': 'Attribution 4.0 International (CC BY 4.0)', 'license_url': 'https://creativecommons.org/licenses/by/4.0', 'maintainer_email': None, 'measurement_technique': 'liquid chromatography-mass spectrometry', 'measurement_technique_iri': 'http://purl.obolibrary.org/obo/CHMO_0000524', 'metadata_created': '2024-01-11T09:57:42.593683', 'metadata_modified': '2025-02-08T19:04:08.778548', 'metadata_published': '2016-02-28', 'mol_formula': 'C8H14N2O2', 'name': 'msbnk-athens_univ-au160531', 'notes': 'This MassBank record with Accession MSBNK-Athens_Univ-AU160531 contains the MS2 mass spectrum of Levetiracetam with the InChIkey HPHUVLMMVZITSG-ZCFIWIBFSA-N.', 'num_resources': 1, 'num_tags': 0, 'organization': {'id': '156e8074-ae7b-4094-83cb-afb3529824c4', 'name': 'massbank', 'title': 'MassBank', 'type': 'repository', 'description': 'MassBank is an open source mass spectral library for the identification of small chemical molecules of metabolomics, exposomics and environmental relevance.', 'image_url': '2022-04-25-134442.697545massbank.jpeg', 'created': '2022-04-25T15:44:42.707561', 'is_organization': True, 'approval_status': 'approved', 'state': 'active'}, 'owner_org': '156e8074-ae7b-4094-83cb-afb3529824c4', 'private': False, 'related_study': '[]', 'smiles': 'CC[C@H](C(=O)N)N1CCCC1=O', 'state': 'active', 'title': 'Levetiracetam', 'type': 'dataset', 'url': 'https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Athens_Univ-AU160531', 'extras': [{'key': 'metadata_created', 'value': '2024-01-11T09:57:42.593683'}, {'key': 'metadata_modified', 'value': '2024-01-11T09:57:42.761609'}], 'resources': [{'cache_last_updated': None, 'cache_url': None, 'created': '2024-01-11T09:57:42.595131', 'datastore_active': False, 'format': 'HTML', 'hash': '', 'id': '5645c932-f656-4892-823f-04928568b724', 'last_modified': None, 'metadata_modified': '2024-01-11T09:57:42.768325', 'mimetype': None, 'mimetype_inner': None, 'name': 'Levetiracetam', 'package_id': 'msbnk-athens_univ-au160531', 'position': 0, 'resource_type': 'HTML', 'size': None, 'state': 'active', 'url': 'https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Athens_Univ-AU160531', 'url_type': None}], 'tags': [], 'groups': [], 'relationships_as_subject': [], 'relationships_as_object': []}, {'author_email': None, 'creator_user_id': '1be646ae-ab26-47b8-8835-e4b27f11961e', 'exactmass': '217.0061193', 'id': 'msbnk-athens_univ-au233160', 'inchi': 'InChI=1S/C9H9Cl2NO/c1-2-9(13)12-6-3-4-7(10)8(11)5-6/h3-5H,2H2,1H3,(H,12,13)', 'inchi_key': 'LFULEKSKNZEWOE-UHFFFAOYSA-N', 'isopen': False, 'license_id': 'CC-BY-4.0', 'license_title': 'Attribution 4.0 International (CC BY 4.0)', 'license_url': 'https://creativecommons.org/licenses/by/4.0', 'maintainer_email': None, 'measurement_technique': 'liquid chromatography-mass spectrometry', 'measurement_technique_iri': 'http://purl.obolibrary.org/obo/CHMO_0000524', 'metadata_created': '2024-01-11T08:50:45.676437', 'metadata_modified': '2025-02-08T19:04:08.478741', 'metadata_published': '2019-03-28', 'mol_formula': 'C9H9Cl2NO', 'name': 'msbnk-athens_univ-au233160', 'notes': 'This MassBank record with Accession MSBNK-Athens_Univ-AU233160 contains the MS2 mass spectrum of Propanil with the InChIkey LFULEKSKNZEWOE-UHFFFAOYSA-N.', 'num_resources': 1, 'num_tags': 0, 'organization': {'id': '156e8074-ae7b-4094-83cb-afb3529824c4', 'name': 'massbank', 'title': 'MassBank', 'type': 'repository', 'description': 'MassBank is an open source mass spectral library for the identification of small chemical molecules of metabolomics, exposomics and environmental relevance.', 'image_url': '2022-04-25-134442.697545massbank.jpeg', 'created': '2022-04-25T15:44:42.707561', 'is_organization': True, 'approval_status': 'approved', 'state': 'active'}, 'owner_org': '156e8074-ae7b-4094-83cb-afb3529824c4', 'private': False, 'related_study': '[]', 'smiles': 'CCC(=O)NC1=CC(Cl)=C(Cl)C=C1', 'state': 'active', 'title': 'Propanil', 'type': 'dataset', 'url': 'https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Athens_Univ-AU233160', 'extras': [{'key': 'metadata_created', 'value': '2024-01-11T08:50:45.676437'}, {'key': 'metadata_modified', 'value': '2024-01-11T10:15:26.987072'}], 'resources': [{'cache_last_updated': None, 'cache_url': None, 'created': '2024-01-11T08:50:45.678915', 'datastore_active': False, 'format': 'HTML', 'hash': '', 'id': 'ea282cd4-2eba-4ce4-a2cb-a924b7d8d101', 'last_modified': None, 'metadata_modified': '2024-01-11T08:50:45.846199', 'mimetype': None, 'mimetype_inner': None, 'name': 'Propanil', 'package_id': 'msbnk-athens_univ-au233160', 'position': 0, 'resource_type': 'HTML', 'size': None, 'state': 'active', 'url': 'https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Athens_Univ-AU233160', 'url_type': None}], 'tags': [], 'groups': [], 'relationships_as_subject': [], 'relationships_as_object': []}, {'author_email': None, 'creator_user_id': '1be646ae-ab26-47b8-8835-e4b27f11961e', 'exactmass': '232.0170183', 'id': 'msbnk-athens_univ-au341002', 'inchi': 'InChI=1S/C9H10Cl2N2O/c1-13(2)9(14)12-6-3-4-7(10)8(11)5-6/h3-5H,1-2H3,(H,12,14)', 'inchi_key': 'XMTQQYYKAHVGBJ-UHFFFAOYSA-N', 'isopen': False, 'license_id': 'CC BY-SA 4.0', 'license_title': 'Attribution-ShareAlike 4.0 International (CC BY-SA 4.0)', 'license_url': 'https://creativecommons.org/licenses/by-sa/4.0', 'maintainer_email': None, 'measurement_technique': 'liquid chromatography-mass spectrometry', 'measurement_technique_iri': 'http://purl.obolibrary.org/obo/CHMO_0000524', 'metadata_created': '2024-01-11T09:53:03.451607', 'metadata_modified': '2025-02-08T19:04:08.164706', 'metadata_published': '2015-12-08', 'mol_formula': 'C9H10Cl2N2O', 'name': 'msbnk-athens_univ-au341002', 'notes': 'This MassBank record with Accession MSBNK-Athens_Univ-AU341002 contains the MS2 mass spectrum of Diuron with the InChIkey XMTQQYYKAHVGBJ-UHFFFAOYSA-N.', 'num_resources': 1, 'num_tags': 0, 'organization': {'id': '156e8074-ae7b-4094-83cb-afb3529824c4', 'name': 'massbank', 'title': 'MassBank', 'type': 'repository', 'description': 'MassBank is an open source mass spectral library for the identification of small chemical molecules of metabolomics, exposomics and environmental relevance.', 'image_url': '2022-04-25-134442.697545massbank.jpeg', 'created': '2022-04-25T15:44:42.707561', 'is_organization': True, 'approval_status': 'approved', 'state': 'active'}, 'owner_org': '156e8074-ae7b-4094-83cb-afb3529824c4', 'private': False, 'related_study': '[]', 'smiles': 'CN(C)C(=O)NC1=CC(Cl)=C(Cl)C=C1', 'state': 'active', 'title': 'Diuron', 'type': 'dataset', 'url': 'https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Athens_Univ-AU341002', 'extras': [{'key': 'license_url', 'value': 'https://creativecommons.org/licenses/by-sa/4.0'}, {'key': 'metadata_created', 'value': '2024-01-11T09:53:03.451607'}, {'key': 'metadata_modified', 'value': '2024-01-11T09:53:03.597002'}], 'resources': [{'cache_last_updated': None, 'cache_url': None, 'created': '2024-01-11T09:53:03.452906', 'datastore_active': False, 'format': 'HTML', 'hash': '', 'id': '17e5e527-dfd1-453f-b5ca-c686dac90ef5', 'last_modified': None, 'metadata_modified': '2024-01-11T09:53:03.602539', 'mimetype': None, 'mimetype_inner': None, 'name': 'Diuron', 'package_id': 'msbnk-athens_univ-au341002', 'position': 0, 'resource_type': 'HTML', 'size': None, 'state': 'active', 'url': 'https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Athens_Univ-AU341002', 'url_type': None}], 'tags': [], 'groups': [], 'relationships_as_subject': [], 'relationships_as_object': []}, {'author_email': None, 'creator_user_id': '1be646ae-ab26-47b8-8835-e4b27f11961e', 'exactmass': '389.1011706', 'id': 'msbnk-athens_univ-au203108', 'inchi': 'InChI=1S/C21H15N3O5/c1-27-12-16(21(25)26)15-7-3-5-9-18(15)29-20-10-19(23-13-24-20)28-17-8-4-2-6-14(17)11-22/h2-10,12-13H,1H3,(H,25,26)/b16-12+', 'inchi_key': 'IKCXDZCEWZARFL-FOWTUZBSSA-N', 'isopen': False, 'license_id': 'CC-BY-4.0', 'license_title': 'Attribution 4.0 International (CC BY 4.0)', 'license_url': 'https://creativecommons.org/licenses/by/4.0', 'maintainer_email': None, 'measurement_technique': 'liquid chromatography-mass spectrometry', 'measurement_technique_iri': 'http://purl.obolibrary.org/obo/CHMO_0000524', 'metadata_created': '2024-01-11T10:04:29.120992', 'metadata_modified': '2025-02-08T19:04:07.863856', 'metadata_published': '2016-02-26', 'mol_formula': 'C21H15N3O5', 'name': 'msbnk-athens_univ-au203108', 'notes': 'This MassBank record with Accession MSBNK-Athens_Univ-AU203108 contains the MS2 mass spectrum of Azoxystrobin acid with the InChIkey IKCXDZCEWZARFL-FOWTUZBSSA-N.', 'num_resources': 1, 'num_tags': 0, 'organization': {'id': '156e8074-ae7b-4094-83cb-afb3529824c4', 'name': 'massbank', 'title': 'MassBank', 'type': 'repository', 'description': 'MassBank is an open source mass spectral library for the identification of small chemical molecules of metabolomics, exposomics and environmental relevance.', 'image_url': '2022-04-25-134442.697545massbank.jpeg', 'created': '2022-04-25T15:44:42.707561', 'is_organization': True, 'approval_status': 'approved', 'state': 'active'}, 'owner_org': '156e8074-ae7b-4094-83cb-afb3529824c4', 'private': False, 'related_study': '[]', 'smiles': 'CO\\C=C(\\C(O)=O)c1ccccc1Oc1cc(Oc2ccccc2C#N)ncn1', 'state': 'active', 'title': 'Azoxystrobin acid', 'type': 'dataset', 'url': 'https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Athens_Univ-AU203108', 'extras': [{'key': 'metadata_created', 'value': '2024-01-11T10:04:29.120992'}, {'key': 'metadata_modified', 'value': '2024-01-11T10:04:29.270436'}], 'resources': [{'cache_last_updated': None, 'cache_url': None, 'created': '2024-01-11T10:04:29.122342', 'datastore_active': False, 'format': 'HTML', 'hash': '', 'id': '4a1a1cf3-e199-46c3-bcf4-ae9572b0eda5', 'last_modified': None, 'metadata_modified': '2024-01-11T10:04:29.276201', 'mimetype': None, 'mimetype_inner': None, 'name': 'Azoxystrobin acid', 'package_id': 'msbnk-athens_univ-au203108', 'position': 0, 'resource_type': 'HTML', 'size': None, 'state': 'active', 'url': 'https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Athens_Univ-AU203108', 'url_type': None}], 'tags': [], 'groups': [], 'relationships_as_subject': [], 'relationships_as_object': []}, {'author_email': None, 'creator_user_id': '1be646ae-ab26-47b8-8835-e4b27f11961e', 'exactmass': '194.0942943', 'id': 'msbnk-athens_univ-au236857', 'inchi': 'InChI=1S/C11H14O3/c1-2-3-8-14-11(13)9-4-6-10(12)7-5-9/h4-7,12H,2-3,8H2,1H3', 'inchi_key': 'QFOHBWFCKVYLES-UHFFFAOYSA-N', 'isopen': False, 'license_id': 'CC-BY-4.0', 'license_title': 'Attribution 4.0 International (CC BY 4.0)', 'license_url': 'https://creativecommons.org/licenses/by/4.0', 'maintainer_email': None, 'measurement_technique': 'liquid chromatography-mass spectrometry', 'measurement_technique_iri': 'http://purl.obolibrary.org/obo/CHMO_0000524', 'metadata_created': '2024-01-11T09:58:14.027513', 'metadata_modified': '2025-02-08T19:04:07.578498', 'metadata_published': '2019-03-29', 'mol_formula': 'C11H14O3', 'name': 'msbnk-athens_univ-au236857', 'notes': 'This MassBank record with Accession MSBNK-Athens_Univ-AU236857 contains the MS2 mass spectrum of Butylparaben with the InChIkey QFOHBWFCKVYLES-UHFFFAOYSA-N.', 'num_resources': 1, 'num_tags': 0, 'organization': {'id': '156e8074-ae7b-4094-83cb-afb3529824c4', 'name': 'massbank', 'title': 'MassBank', 'type': 'repository', 'description': 'MassBank is an open source mass spectral library for the identification of small chemical molecules of metabolomics, exposomics and environmental relevance.', 'image_url': '2022-04-25-134442.697545massbank.jpeg', 'created': '2022-04-25T15:44:42.707561', 'is_organization': True, 'approval_status': 'approved', 'state': 'active'}, 'owner_org': '156e8074-ae7b-4094-83cb-afb3529824c4', 'private': False, 'related_study': '[]', 'smiles': 'CCCCOC(=O)C1=CC=C(O)C=C1', 'state': 'active', 'title': 'Butylparaben', 'type': 'dataset', 'url': 'https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Athens_Univ-AU236857', 'extras': [{'key': 'metadata_created', 'value': '2024-01-11T09:58:14.027513'}, {'key': 'metadata_modified', 'value': '2024-01-11T09:58:14.169412'}], 'resources': [{'cache_last_updated': None, 'cache_url': None, 'created': '2024-01-11T09:58:14.028907', 'datastore_active': False, 'format': 'HTML', 'hash': '', 'id': '7cb1b4e4-2541-4d0e-a0bb-294f82cd3106', 'last_modified': None, 'metadata_modified': '2024-01-11T09:58:14.175857', 'mimetype': None, 'mimetype_inner': None, 'name': 'Butylparaben', 'package_id': 'msbnk-athens_univ-au236857', 'position': 0, 'resource_type': 'HTML', 'size': None, 'state': 'active', 'url': 'https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Athens_Univ-AU236857', 'url_type': None}], 'tags': [], 'groups': [], 'relationships_as_subject': [], 'relationships_as_object': []}, {'author_email': None, 'creator_user_id': '1be646ae-ab26-47b8-8835-e4b27f11961e', 'exactmass': '379.1696052', 'id': 'msbnk-athens_univ-au120711', 'inchi': 'InChI=1S/C22H22FN3O2/c23-17-9-7-16(8-10-17)21(27)6-3-13-25-14-11-18(12-15-25)26-20-5-2-1-4-19(20)24-22(26)28/h1-2,4-5,7-11H,3,6,12-15H2,(H,24,28)', 'inchi_key': 'RMEDXOLNCUSCGS-UHFFFAOYSA-N', 'isopen': False, 'license_id': 'CC-BY-4.0', 'license_title': 'Attribution 4.0 International (CC BY 4.0)', 'license_url': 'https://creativecommons.org/licenses/by/4.0', 'maintainer_email': None, 'measurement_technique': 'liquid chromatography-mass spectrometry', 'measurement_technique_iri': 'http://purl.obolibrary.org/obo/CHMO_0000524', 'metadata_created': '2024-01-11T09:55:16.481815', 'metadata_modified': '2025-02-08T19:04:07.228406', 'metadata_published': '2016-02-25', 'mol_formula': 'C22H22FN3O2', 'name': 'msbnk-athens_univ-au120711', 'notes': 'This MassBank record with Accession MSBNK-Athens_Univ-AU120711 contains the MS2 mass spectrum of Droperidol with the InChIkey RMEDXOLNCUSCGS-UHFFFAOYSA-N.', 'num_resources': 1, 'num_tags': 0, 'organization': {'id': '156e8074-ae7b-4094-83cb-afb3529824c4', 'name': 'massbank', 'title': 'MassBank', 'type': 'repository', 'description': 'MassBank is an open source mass spectral library for the identification of small chemical molecules of metabolomics, exposomics and environmental relevance.', 'image_url': '2022-04-25-134442.697545massbank.jpeg', 'created': '2022-04-25T15:44:42.707561', 'is_organization': True, 'approval_status': 'approved', 'state': 'active'}, 'owner_org': '156e8074-ae7b-4094-83cb-afb3529824c4', 'private': False, 'related_study': '[]', 'smiles': 'c1ccc2c(c1)nc(n2C3=CCN(CC3)CCCC(=O)c4ccc(cc4)F)O', 'state': 'active', 'title': 'Droperidol', 'type': 'dataset', 'url': 'https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Athens_Univ-AU120711', 'extras': [{'key': 'metadata_created', 'value': '2024-01-11T09:55:16.481815'}, {'key': 'metadata_modified', 'value': '2024-01-11T09:55:16.639360'}], 'resources': [{'cache_last_updated': None, 'cache_url': None, 'created': '2024-01-11T09:55:16.483146', 'datastore_active': False, 'format': 'HTML', 'hash': '', 'id': '7e84ac2e-aaae-42fa-bb6a-039f8d621266', 'last_modified': None, 'metadata_modified': '2024-01-11T09:55:16.644837', 'mimetype': None, 'mimetype_inner': None, 'name': 'Droperidol', 'package_id': 'msbnk-athens_univ-au120711', 'position': 0, 'resource_type': 'HTML', 'size': None, 'state': 'active', 'url': 'https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Athens_Univ-AU120711', 'url_type': None}], 'tags': [], 'groups': [], 'relationships_as_subject': [], 'relationships_as_object': []}, {'author_email': None, 'creator_user_id': '1be646ae-ab26-47b8-8835-e4b27f11961e', 'exactmass': '201.0789786', 'id': 'msbnk-athens_univ-au262401', 'inchi': 'InChI=1S/C12H11NO2/c1-13-12(14)15-11-8-4-6-9-5-2-3-7-10(9)11/h2-8H,1H3,(H,13,14)', 'inchi_key': 'CVXBEEMKQHEXEN-UHFFFAOYSA-N', 'isopen': False, 'license_id': 'CC-BY-4.0', 'license_title': 'Attribution 4.0 International (CC BY 4.0)', 'license_url': 'https://creativecommons.org/licenses/by/4.0', 'maintainer_email': None, 'measurement_technique': 'liquid chromatography-mass spectrometry', 'measurement_technique_iri': 'http://purl.obolibrary.org/obo/CHMO_0000524', 'metadata_created': '2024-01-11T10:10:32.239596', 'metadata_modified': '2025-02-08T19:04:06.958696', 'metadata_published': '2019-05-30', 'mol_formula': 'C12H11NO2', 'name': 'msbnk-athens_univ-au262401', 'notes': 'This MassBank record with Accession MSBNK-Athens_Univ-AU262401 contains the MS2 mass spectrum of Carbaryl with the InChIkey CVXBEEMKQHEXEN-UHFFFAOYSA-N.', 'num_resources': 1, 'num_tags': 0, 'organization': {'id': '156e8074-ae7b-4094-83cb-afb3529824c4', 'name': 'massbank', 'title': 'MassBank', 'type': 'repository', 'description': 'MassBank is an open source mass spectral library for the identification of small chemical molecules of metabolomics, exposomics and environmental relevance.', 'image_url': '2022-04-25-134442.697545massbank.jpeg', 'created': '2022-04-25T15:44:42.707561', 'is_organization': True, 'approval_status': 'approved', 'state': 'active'}, 'owner_org': '156e8074-ae7b-4094-83cb-afb3529824c4', 'private': False, 'related_study': '[]', 'smiles': 'CNC(=O)OC1=C2C=CC=CC2=CC=C1', 'state': 'active', 'title': 'Carbaryl', 'type': 'dataset', 'url': 'https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Athens_Univ-AU262401', 'extras': [{'key': 'metadata_created', 'value': '2024-01-11T10:10:32.239596'}, {'key': 'metadata_modified', 'value': '2024-01-11T10:10:32.382039'}], 'resources': [{'cache_last_updated': None, 'cache_url': None, 'created': '2024-01-11T10:10:32.240955', 'datastore_active': False, 'format': 'HTML', 'hash': '', 'id': '7d761004-e07f-4c89-9eaf-868c32287aa9', 'last_modified': None, 'metadata_modified': '2024-01-11T10:10:32.387388', 'mimetype': None, 'mimetype_inner': None, 'name': 'Carbaryl', 'package_id': 'msbnk-athens_univ-au262401', 'position': 0, 'resource_type': 'HTML', 'size': None, 'state': 'active', 'url': 'https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Athens_Univ-AU262401', 'url_type': None}], 'tags': [], 'groups': [], 'relationships_as_subject': [], 'relationships_as_object': []}, {'author_email': None, 'creator_user_id': '1be646ae-ab26-47b8-8835-e4b27f11961e', 'exactmass': '220.067034', 'id': 'msbnk-athens_univ-au287704', 'inchi': 'InChI=1S/C11H12N2OS/c1-2-4-10-9(3-1)12-11(15-10)13-5-7-14-8-6-13/h1-4H,5-8H2', 'inchi_key': 'VVUVJGRVEYHIHC-UHFFFAOYSA-N', 'isopen': False, 'license_id': 'CC-BY-4.0', 'license_title': 'Attribution 4.0 International (CC BY 4.0)', 'license_url': 'https://creativecommons.org/licenses/by/4.0', 'maintainer_email': None, 'measurement_technique': 'liquid chromatography-mass spectrometry', 'measurement_technique_iri': 'http://purl.obolibrary.org/obo/CHMO_0000524', 'metadata_created': '2024-01-11T09:43:23.841297', 'metadata_modified': '2025-02-08T19:04:06.618878', 'metadata_published': '2019-05-31', 'mol_formula': 'C11H12N2OS', 'name': 'msbnk-athens_univ-au287704', 'notes': 'This MassBank record with Accession MSBNK-Athens_Univ-AU287704 contains the MS2 mass spectrum of 2-(4-Morpholinyl)benzothiazole with the InChIkey VVUVJGRVEYHIHC-UHFFFAOYSA-N.', 'num_resources': 1, 'num_tags': 0, 'organization': {'id': '156e8074-ae7b-4094-83cb-afb3529824c4', 'name': 'massbank', 'title': 'MassBank', 'type': 'repository', 'description': 'MassBank is an open source mass spectral library for the identification of small chemical molecules of metabolomics, exposomics and environmental relevance.', 'image_url': '2022-04-25-134442.697545massbank.jpeg', 'created': '2022-04-25T15:44:42.707561', 'is_organization': True, 'approval_status': 'approved', 'state': 'active'}, 'owner_org': '156e8074-ae7b-4094-83cb-afb3529824c4', 'private': False, 'related_study': '[]', 'smiles': 'C1CN(CCO1)C1=NC2=CC=CC=C2S1', 'state': 'active', 'title': '2-(4-Morpholinyl)benzothiazole', 'type': 'dataset', 'url': 'https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Athens_Univ-AU287704', 'extras': [{'key': 'metadata_created', 'value': '2024-01-11T09:43:23.841297'}, {'key': 'metadata_modified', 'value': '2024-01-11T09:43:24.006193'}], 'resources': [{'cache_last_updated': None, 'cache_url': None, 'created': '2024-01-11T09:43:23.842667', 'datastore_active': False, 'format': 'HTML', 'hash': '', 'id': 'bbf6d631-f47c-4521-8045-72d91470f86b', 'last_modified': None, 'metadata_modified': '2024-01-11T09:43:24.012309', 'mimetype': None, 'mimetype_inner': None, 'name': '2-(4-Morpholinyl)benzothiazole', 'package_id': 'msbnk-athens_univ-au287704', 'position': 0, 'resource_type': 'HTML', 'size': None, 'state': 'active', 'url': 'https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Athens_Univ-AU287704', 'url_type': None}], 'tags': [], 'groups': [], 'relationships_as_subject': [], 'relationships_as_object': []}, {'author_email': None, 'creator_user_id': '1be646ae-ab26-47b8-8835-e4b27f11961e', 'exactmass': '277.1103', 'id': 'msbnk-athens_univ-au502509', 'inchi': 'InChI=1S/C18H15NO2/c1-2-21-18(20)16(13-19)17(14-9-5-3-6-10-14)15-11-7-4-8-12-15/h3-12H,2H2,1H3', 'inchi_key': 'IAJNXBNRYMEYAZ-UHFFFAOYSA-N', 'isopen': False, 'license_id': 'CC-BY-4.0', 'license_title': 'Attribution 4.0 International (CC BY 4.0)', 'license_url': 'https://creativecommons.org/licenses/by/4.0', 'maintainer_email': None, 'measurement_technique': 'liquid chromatography-mass spectrometry', 'measurement_technique_iri': 'http://purl.obolibrary.org/obo/CHMO_0000524', 'metadata_created': '2024-01-11T08:50:29.601699', 'metadata_modified': '2025-02-08T19:04:06.240287', 'metadata_published': '2021-04-20', 'mol_formula': 'C18H15NO2', 'name': 'msbnk-athens_univ-au502509', 'notes': 'This MassBank record with Accession MSBNK-Athens_Univ-AU502509 contains the MS2 mass spectrum of Ethyl 2-Cyano-3,3-diphenylacrylate with the InChIkey IAJNXBNRYMEYAZ-UHFFFAOYSA-N.', 'num_resources': 1, 'num_tags': 0, 'organization': {'id': '156e8074-ae7b-4094-83cb-afb3529824c4', 'name': 'massbank', 'title': 'MassBank', 'type': 'repository', 'description': 'MassBank is an open source mass spectral library for the identification of small chemical molecules of metabolomics, exposomics and environmental relevance.', 'image_url': '2022-04-25-134442.697545massbank.jpeg', 'created': '2022-04-25T15:44:42.707561', 'is_organization': True, 'approval_status': 'approved', 'state': 'active'}, 'owner_org': '156e8074-ae7b-4094-83cb-afb3529824c4', 'private': False, 'related_study': '[]', 'smiles': 'CCOC(=O)C(=C(C1=CC=CC=C1)C2=CC=CC=C2)C#N', 'state': 'active', 'title': 'Ethyl 2-Cyano-3,3-diphenylacrylate', 'type': 'dataset', 'url': 'https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Athens_Univ-AU502509', 'extras': [{'key': 'metadata_created', 'value': '2024-01-11T08:50:29.601699'}, {'key': 'metadata_modified', 'value': '2024-01-11T10:15:15.436702'}], 'resources': [{'cache_last_updated': None, 'cache_url': None, 'created': '2024-01-11T08:50:29.603991', 'datastore_active': False, 'format': 'HTML', 'hash': '', 'id': '33717e58-5bc5-4c8d-ad8c-9bcd67201698', 'last_modified': None, 'metadata_modified': '2024-01-11T08:50:29.838977', 'mimetype': None, 'mimetype_inner': None, 'name': 'Ethyl 2-Cyano-3,3-diphenylacrylate', 'package_id': 'msbnk-athens_univ-au502509', 'position': 0, 'resource_type': 'HTML', 'size': None, 'state': 'active', 'url': 'https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Athens_Univ-AU502509', 'url_type': None}], 'tags': [], 'groups': [], 'relationships_as_subject': [], 'relationships_as_object': []}, {'author_email': None, 'creator_user_id': '1be646ae-ab26-47b8-8835-e4b27f11961e', 'exactmass': '312.2089301', 'id': 'msbnk-athens_univ-au282705', 'inchi': 'InChI=1S/C21H28O2/c1-13(22)17-6-7-18-16-5-4-14-12-15(23)8-10-20(14,2)19(16)9-11-21(17,18)3/h4-5,12,16-19H,6-11H2,1-3H3/t16-,17+,18-,19+,20+,21+/m0/s1', 'inchi_key': 'JGMOKGBVKVMRFX-HQZYFCCVSA-N', 'isopen': False, 'license_id': 'CC-BY-4.0', 'license_title': 'Attribution 4.0 International (CC BY 4.0)', 'license_url': 'https://creativecommons.org/licenses/by/4.0', 'maintainer_email': None, 'measurement_technique': 'liquid chromatography-mass spectrometry', 'measurement_technique_iri': 'http://purl.obolibrary.org/obo/CHMO_0000524', 'metadata_created': '2024-01-11T10:09:26.747008', 'metadata_modified': '2025-02-08T19:04:05.947581', 'metadata_published': '2019-05-31', 'mol_formula': 'C21H28O2', 'name': 'msbnk-athens_univ-au282705', 'notes': 'This MassBank record with Accession MSBNK-Athens_Univ-AU282705 contains the MS2 mass spectrum of Dydrogesterone with the InChIkey JGMOKGBVKVMRFX-HQZYFCCVSA-N.', 'num_resources': 1, 'num_tags': 0, 'organization': {'id': '156e8074-ae7b-4094-83cb-afb3529824c4', 'name': 'massbank', 'title': 'MassBank', 'type': 'repository', 'description': 'MassBank is an open source mass spectral library for the identification of small chemical molecules of metabolomics, exposomics and environmental relevance.', 'image_url': '2022-04-25-134442.697545massbank.jpeg', 'created': '2022-04-25T15:44:42.707561', 'is_organization': True, 'approval_status': 'approved', 'state': 'active'}, 'owner_org': '156e8074-ae7b-4094-83cb-afb3529824c4', 'private': False, 'related_study': '[]', 'smiles': '[H][C@@]12CC[C@H](C(C)=O)[C@@]1(C)CC[C@]1([H])[C@@]2([H])C=CC2=CC(=O)CC[C@@]12C', 'state': 'active', 'title': 'Dydrogesterone', 'type': 'dataset', 'url': 'https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Athens_Univ-AU282705', 'extras': [{'key': 'metadata_created', 'value': '2024-01-11T10:09:26.747008'}, {'key': 'metadata_modified', 'value': '2024-01-11T10:09:26.895292'}], 'resources': [{'cache_last_updated': None, 'cache_url': None, 'created': '2024-01-11T10:09:26.748322', 'datastore_active': False, 'format': 'HTML', 'hash': '', 'id': '7e73c7d4-bce5-48e3-b707-d2edf914853b', 'last_modified': None, 'metadata_modified': '2024-01-11T10:09:26.901351', 'mimetype': None, 'mimetype_inner': None, 'name': 'Dydrogesterone', 'package_id': 'msbnk-athens_univ-au282705', 'position': 0, 'resource_type': 'HTML', 'size': None, 'state': 'active', 'url': 'https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Athens_Univ-AU282705', 'url_type': None}], 'tags': [], 'groups': [], 'relationships_as_subject': [], 'relationships_as_object': []}, {'author_email': None, 'creator_user_id': '1be646ae-ab26-47b8-8835-e4b27f11961e', 'exactmass': '133.0639972', 'id': 'msbnk-athens_univ-au200305', 'inchi': 'InChI=1S/C7H7N3/c8-7-9-5-3-1-2-4-6(5)10-7/h1-4H,(H3,8,9,10)', 'inchi_key': 'JWYUFVNJZUSCSM-UHFFFAOYSA-N', 'isopen': False, 'license_id': 'CC-BY-4.0', 'license_title': 'Attribution 4.0 International (CC BY 4.0)', 'license_url': 'https://creativecommons.org/licenses/by/4.0', 'maintainer_email': None, 'measurement_technique': 'liquid chromatography-mass spectrometry', 'measurement_technique_iri': 'http://purl.obolibrary.org/obo/CHMO_0000524', 'metadata_created': '2024-01-11T09:51:02.457591', 'metadata_modified': '2025-02-08T19:04:05.636871', 'metadata_published': '2016-02-22', 'mol_formula': 'C7H7N3', 'name': 'msbnk-athens_univ-au200305', 'notes': 'This MassBank record with Accession MSBNK-Athens_Univ-AU200305 contains the MS2 mass spectrum of 2-Aminobenzimidazole with the InChIkey JWYUFVNJZUSCSM-UHFFFAOYSA-N.', 'num_resources': 1, 'num_tags': 0, 'organization': {'id': '156e8074-ae7b-4094-83cb-afb3529824c4', 'name': 'massbank', 'title': 'MassBank', 'type': 'repository', 'description': 'MassBank is an open source mass spectral library for the identification of small chemical molecules of metabolomics, exposomics and environmental relevance.', 'image_url': '2022-04-25-134442.697545massbank.jpeg', 'created': '2022-04-25T15:44:42.707561', 'is_organization': True, 'approval_status': 'approved', 'state': 'active'}, 'owner_org': '156e8074-ae7b-4094-83cb-afb3529824c4', 'private': False, 'related_study': '[]', 'smiles': 'c1ccc2c(c1)[nH]c(=N)[nH]2', 'state': 'active', 'title': '2-Aminobenzimidazole', 'type': 'dataset', 'url': 'https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Athens_Univ-AU200305', 'extras': [{'key': 'metadata_created', 'value': '2024-01-11T09:51:02.457591'}, {'key': 'metadata_modified', 'value': '2024-01-11T09:51:02.611372'}], 'resources': [{'cache_last_updated': None, 'cache_url': None, 'created': '2024-01-11T09:51:02.459047', 'datastore_active': False, 'format': 'HTML', 'hash': '', 'id': '86fb1ec8-02fc-4397-ad3e-da9d59d810c3', 'last_modified': None, 'metadata_modified': '2024-01-11T09:51:02.617404', 'mimetype': None, 'mimetype_inner': None, 'name': '2-Aminobenzimidazole', 'package_id': 'msbnk-athens_univ-au200305', 'position': 0, 'resource_type': 'HTML', 'size': None, 'state': 'active', 'url': 'https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Athens_Univ-AU200305', 'url_type': None}], 'tags': [], 'groups': [], 'relationships_as_subject': [], 'relationships_as_object': []}, {'author_email': None, 'creator_user_id': '1be646ae-ab26-47b8-8835-e4b27f11961e', 'exactmass': '232.1575633', 'id': 'msbnk-athens_univ-au155203', 'inchi': 'InChI=1S/C14H20N2O/c1-2-14(17)16(12-6-4-3-5-7-12)13-8-10-15-11-9-13/h3-7,13,15H,2,8-11H2,1H3', 'inchi_key': 'PMCBDBWCQQBSRJ-UHFFFAOYSA-N', 'isopen': False, 'license_id': 'CC BY-SA 4.0', 'license_title': 'Attribution-ShareAlike 4.0 International (CC BY-SA 4.0)', 'license_url': 'https://creativecommons.org/licenses/by-sa/4.0', 'maintainer_email': None, 'measurement_technique': 'liquid chromatography-mass spectrometry', 'measurement_technique_iri': 'http://purl.obolibrary.org/obo/CHMO_0000524', 'metadata_created': '2024-01-11T10:08:25.470472', 'metadata_modified': '2025-02-08T19:04:05.323017', 'metadata_published': '2015-12-07', 'mol_formula': 'C14H20N2O', 'name': 'msbnk-athens_univ-au155203', 'notes': 'This MassBank record with Accession MSBNK-Athens_Univ-AU155203 contains the MS2 mass spectrum of Norfentanyl with the InChIkey PMCBDBWCQQBSRJ-UHFFFAOYSA-N.', 'num_resources': 1, 'num_tags': 0, 'organization': {'id': '156e8074-ae7b-4094-83cb-afb3529824c4', 'name': 'massbank', 'title': 'MassBank', 'type': 'repository', 'description': 'MassBank is an open source mass spectral library for the identification of small chemical molecules of metabolomics, exposomics and environmental relevance.', 'image_url': '2022-04-25-134442.697545massbank.jpeg', 'created': '2022-04-25T15:44:42.707561', 'is_organization': True, 'approval_status': 'approved', 'state': 'active'}, 'owner_org': '156e8074-ae7b-4094-83cb-afb3529824c4', 'private': False, 'related_study': '[]', 'smiles': 'CCC(=O)N(c1ccccc1)C2CCNCC2', 'state': 'active', 'title': 'Norfentanyl', 'type': 'dataset', 'url': 'https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Athens_Univ-AU155203', 'extras': [{'key': 'license_url', 'value': 'https://creativecommons.org/licenses/by-sa/4.0'}, {'key': 'metadata_created', 'value': '2024-01-11T10:08:25.470472'}, {'key': 'metadata_modified', 'value': '2024-01-11T10:08:25.626722'}], 'resources': [{'cache_last_updated': None, 'cache_url': None, 'created': '2024-01-11T10:08:25.471784', 'datastore_active': False, 'format': 'HTML', 'hash': '', 'id': '2d8f91d1-6b16-4ee6-a75e-f2b4d508154b', 'last_modified': None, 'metadata_modified': '2024-01-11T10:08:25.633161', 'mimetype': None, 'mimetype_inner': None, 'name': 'Norfentanyl', 'package_id': 'msbnk-athens_univ-au155203', 'position': 0, 'resource_type': 'HTML', 'size': None, 'state': 'active', 'url': 'https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Athens_Univ-AU155203', 'url_type': None}], 'tags': [], 'groups': [], 'relationships_as_subject': [], 'relationships_as_object': []}, {'author_email': None, 'creator_user_id': '1be646ae-ab26-47b8-8835-e4b27f11961e', 'exactmass': '211.0512396', 'id': 'msbnk-athens_univ-au204901', 'inchi': 'InChI=1S/C9H10ClN3O/c10-8-2-1-7(5-12-8)6-13-4-3-11-9(13)14/h1-2,5H,3-4,6H2,(H,11,14)', 'inchi_key': 'ADWTYURAFSWNSU-UHFFFAOYSA-N', 'isopen': False, 'license_id': 'CC BY-SA 4.0', 'license_title': 'Attribution-ShareAlike 4.0 International (CC BY-SA 4.0)', 'license_url': 'https://creativecommons.org/licenses/by-sa/4.0', 'maintainer_email': None, 'measurement_technique': 'liquid chromatography-mass spectrometry', 'measurement_technique_iri': 'http://purl.obolibrary.org/obo/CHMO_0000524', 'metadata_created': '2024-01-11T10:04:56.579854', 'metadata_modified': '2025-02-08T19:04:05.009232', 'metadata_published': '2015-12-05', 'mol_formula': 'C9H10ClN3O', 'name': 'msbnk-athens_univ-au204901', 'notes': 'This MassBank record with Accession MSBNK-Athens_Univ-AU204901 contains the MS2 mass spectrum of Imidacloprid-urea with the InChIkey ADWTYURAFSWNSU-UHFFFAOYSA-N.', 'num_resources': 1, 'num_tags': 0, 'organization': {'id': '156e8074-ae7b-4094-83cb-afb3529824c4', 'name': 'massbank', 'title': 'MassBank', 'type': 'repository', 'description': 'MassBank is an open source mass spectral library for the identification of small chemical molecules of metabolomics, exposomics and environmental relevance.', 'image_url': '2022-04-25-134442.697545massbank.jpeg', 'created': '2022-04-25T15:44:42.707561', 'is_organization': True, 'approval_status': 'approved', 'state': 'active'}, 'owner_org': '156e8074-ae7b-4094-83cb-afb3529824c4', 'private': False, 'related_study': '[]', 'smiles': 'c1cc(ncc1CN2CCN=C2O)Cl', 'state': 'active', 'title': 'Imidacloprid-urea', 'type': 'dataset', 'url': 'https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Athens_Univ-AU204901', 'extras': [{'key': 'license_url', 'value': 'https://creativecommons.org/licenses/by-sa/4.0'}, {'key': 'metadata_created', 'value': '2024-01-11T10:04:56.579854'}, {'key': 'metadata_modified', 'value': '2024-01-11T10:04:56.726247'}], 'resources': [{'cache_last_updated': None, 'cache_url': None, 'created': '2024-01-11T10:04:56.581201', 'datastore_active': False, 'format': 'HTML', 'hash': '', 'id': 'cf32c3a2-f3b1-4b7e-8058-72f98f0f7255', 'last_modified': None, 'metadata_modified': '2024-01-11T10:04:56.732115', 'mimetype': None, 'mimetype_inner': None, 'name': 'Imidacloprid-urea', 'package_id': 'msbnk-athens_univ-au204901', 'position': 0, 'resource_type': 'HTML', 'size': None, 'state': 'active', 'url': 'https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Athens_Univ-AU204901', 'url_type': None}], 'tags': [], 'groups': [], 'relationships_as_subject': [], 'relationships_as_object': []}, {'author_email': None, 'creator_user_id': '1be646ae-ab26-47b8-8835-e4b27f11961e', 'exactmass': '201.0781231', 'id': 'msbnk-athens_univ-au314102', 'inchi': 'InChI=1S/C7H12ClN5/c1-3-9-6-11-5(8)12-7(13-6)10-4-2/h3-4H2,1-2H3,(H2,9,10,11,12,13)', 'inchi_key': 'ODCWYMIRDDJXKW-UHFFFAOYSA-N', 'isopen': False, 'license_id': 'CC BY-SA 4.0', 'license_title': 'Attribution-ShareAlike 4.0 International (CC BY-SA 4.0)', 'license_url': 'https://creativecommons.org/licenses/by-sa/4.0', 'maintainer_email': None, 'measurement_technique': 'liquid chromatography-mass spectrometry', 'measurement_technique_iri': 'http://purl.obolibrary.org/obo/CHMO_0000524', 'metadata_created': '2024-01-11T09:41:29.838153', 'metadata_modified': '2025-02-08T19:04:04.626050', 'metadata_published': '2015-12-08', 'mol_formula': 'C7H12ClN5', 'name': 'msbnk-athens_univ-au314102', 'notes': 'This MassBank record with Accession MSBNK-Athens_Univ-AU314102 contains the MS2 mass spectrum of Simazine with the InChIkey ODCWYMIRDDJXKW-UHFFFAOYSA-N.', 'num_resources': 1, 'num_tags': 0, 'organization': {'id': '156e8074-ae7b-4094-83cb-afb3529824c4', 'name': 'massbank', 'title': 'MassBank', 'type': 'repository', 'description': 'MassBank is an open source mass spectral library for the identification of small chemical molecules of metabolomics, exposomics and environmental relevance.', 'image_url': '2022-04-25-134442.697545massbank.jpeg', 'created': '2022-04-25T15:44:42.707561', 'is_organization': True, 'approval_status': 'approved', 'state': 'active'}, 'owner_org': '156e8074-ae7b-4094-83cb-afb3529824c4', 'private': False, 'related_study': '[]', 'smiles': 'CCNC1=NC(NCC)=NC(Cl)=N1', 'state': 'active', 'title': 'Simazine', 'type': 'dataset', 'url': 'https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Athens_Univ-AU314102', 'extras': [{'key': 'license_url', 'value': 'https://creativecommons.org/licenses/by-sa/4.0'}, {'key': 'metadata_created', 'value': '2024-01-11T09:41:29.838153'}, {'key': 'metadata_modified', 'value': '2024-01-11T09:41:29.983435'}], 'resources': [{'cache_last_updated': None, 'cache_url': None, 'created': '2024-01-11T09:41:29.839797', 'datastore_active': False, 'format': 'HTML', 'hash': '', 'id': 'b69947b0-f795-413b-8419-ca6a5a9d98d5', 'last_modified': None, 'metadata_modified': '2024-01-11T09:41:29.988964', 'mimetype': None, 'mimetype_inner': None, 'name': 'Simazine', 'package_id': 'msbnk-athens_univ-au314102', 'position': 0, 'resource_type': 'HTML', 'size': None, 'state': 'active', 'url': 'https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Athens_Univ-AU314102', 'url_type': None}], 'tags': [], 'groups': [], 'relationships_as_subject': [], 'relationships_as_object': []}, {'author_email': None, 'creator_user_id': '1be646ae-ab26-47b8-8835-e4b27f11961e', 'exactmass': '268.1575633', 'id': 'msbnk-athens_univ-au229105', 'inchi': 'InChI=1S/C17H20N2O/c1-18(2)15-9-5-13(6-10-15)17(20)14-7-11-16(12-8-14)19(3)4/h5-12H,1-4H3', 'inchi_key': 'VVBLNCFGVYUYGU-UHFFFAOYSA-N', 'isopen': False, 'license_id': 'CC-BY-4.0', 'license_title': 'Attribution 4.0 International (CC BY 4.0)', 'license_url': 'https://creativecommons.org/licenses/by/4.0', 'maintainer_email': None, 'measurement_technique': 'liquid chromatography-mass spectrometry', 'measurement_technique_iri': 'http://purl.obolibrary.org/obo/CHMO_0000524', 'metadata_created': '2024-01-11T08:49:46.793482', 'metadata_modified': '2025-02-08T19:04:04.302020', 'metadata_published': '2019-04-05', 'mol_formula': 'C17H20N2O', 'name': 'msbnk-athens_univ-au229105', 'notes': 'This MassBank record with Accession MSBNK-Athens_Univ-AU229105 contains the MS2 mass spectrum of Michler`s ketone with the InChIkey VVBLNCFGVYUYGU-UHFFFAOYSA-N.', 'num_resources': 1, 'num_tags': 0, 'organization': {'id': '156e8074-ae7b-4094-83cb-afb3529824c4', 'name': 'massbank', 'title': 'MassBank', 'type': 'repository', 'description': 'MassBank is an open source mass spectral library for the identification of small chemical molecules of metabolomics, exposomics and environmental relevance.', 'image_url': '2022-04-25-134442.697545massbank.jpeg', 'created': '2022-04-25T15:44:42.707561', 'is_organization': True, 'approval_status': 'approved', 'state': 'active'}, 'owner_org': '156e8074-ae7b-4094-83cb-afb3529824c4', 'private': False, 'related_study': '[]', 'smiles': 'CN(C)C1=CC=C(C=C1)C(=O)C1=CC=C(C=C1)N(C)C', 'state': 'active', 'title': 'Michler`s ketone', 'type': 'dataset', 'url': 'https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Athens_Univ-AU229105', 'extras': [{'key': 'metadata_created', 'value': '2024-01-11T08:49:46.793482'}, {'key': 'metadata_modified', 'value': '2024-01-11T10:14:46.442200'}], 'resources': [{'cache_last_updated': None, 'cache_url': None, 'created': '2024-01-11T08:49:46.796324', 'datastore_active': False, 'format': 'HTML', 'hash': '', 'id': '4f5eb582-1254-4e3e-b55e-a4b92f811806', 'last_modified': None, 'metadata_modified': '2024-01-11T08:49:46.965090', 'mimetype': None, 'mimetype_inner': None, 'name': 'Michler`s ketone', 'package_id': 'msbnk-athens_univ-au229105', 'position': 0, 'resource_type': 'HTML', 'size': None, 'state': 'active', 'url': 'https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Athens_Univ-AU229105', 'url_type': None}], 'tags': [], 'groups': [], 'relationships_as_subject': [], 'relationships_as_object': []}, {'author_email': None, 'creator_user_id': '1be646ae-ab26-47b8-8835-e4b27f11961e', 'exactmass': '381.0758823', 'id': 'msbnk-athens_univ-au235659', 'inchi': 'InChI=1S/C17H14F3N3O2S/c1-11-2-4-12(5-3-11)15-10-16(17(18,19)20)22-23(15)13-6-8-14(9-7-13)26(21,24)25/h2-10H,1H3,(H2,21,24,25)', 'inchi_key': 'RZEKVGVHFLEQIL-UHFFFAOYSA-N', 'isopen': False, 'license_id': 'CC-BY-4.0', 'license_title': 'Attribution 4.0 International (CC BY 4.0)', 'license_url': 'https://creativecommons.org/licenses/by/4.0', 'maintainer_email': None, 'measurement_technique': 'liquid chromatography-mass spectrometry', 'measurement_technique_iri': 'http://purl.obolibrary.org/obo/CHMO_0000524', 'metadata_created': '2024-01-11T10:07:11.942101', 'metadata_modified': '2025-02-08T19:04:04.018704', 'metadata_published': '2019-03-29', 'mol_formula': 'C17H14F3N3O2S', 'name': 'msbnk-athens_univ-au235659', 'notes': 'This MassBank record with Accession MSBNK-Athens_Univ-AU235659 contains the MS2 mass spectrum of Celecoxib with the InChIkey RZEKVGVHFLEQIL-UHFFFAOYSA-N.', 'num_resources': 1, 'num_tags': 0, 'organization': {'id': '156e8074-ae7b-4094-83cb-afb3529824c4', 'name': 'massbank', 'title': 'MassBank', 'type': 'repository', 'description': 'MassBank is an open source mass spectral library for the identification of small chemical molecules of metabolomics, exposomics and environmental relevance.', 'image_url': '2022-04-25-134442.697545massbank.jpeg', 'created': '2022-04-25T15:44:42.707561', 'is_organization': True, 'approval_status': 'approved', 'state': 'active'}, 'owner_org': '156e8074-ae7b-4094-83cb-afb3529824c4', 'private': False, 'related_study': '[]', 'smiles': 'CC1=CC=C(C=C1)C1=CC(=NN1C1=CC=C(C=C1)S(N)(=O)=O)C(F)(F)F', 'state': 'active', 'title': 'Celecoxib', 'type': 'dataset', 'url': 'https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Athens_Univ-AU235659', 'extras': [{'key': 'metadata_created', 'value': '2024-01-11T10:07:11.942101'}, {'key': 'metadata_modified', 'value': '2024-01-11T10:07:12.076072'}], 'resources': [{'cache_last_updated': None, 'cache_url': None, 'created': '2024-01-11T10:07:11.943415', 'datastore_active': False, 'format': 'HTML', 'hash': '', 'id': '75c2a3d6-03ad-46da-bcf5-1cc24b181508', 'last_modified': None, 'metadata_modified': '2024-01-11T10:07:12.082232', 'mimetype': None, 'mimetype_inner': None, 'name': 'Celecoxib', 'package_id': 'msbnk-athens_univ-au235659', 'position': 0, 'resource_type': 'HTML', 'size': None, 'state': 'active', 'url': 'https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Athens_Univ-AU235659', 'url_type': None}], 'tags': [], 'groups': [], 'relationships_as_subject': [], 'relationships_as_object': []}] |
| request |
<Request 'https://ckanchem21.service.tib.eu/repository/massbank?page=5886' [GET]> |
| session |
{'_domain': None, '_path': '/', '_accessed_time': 1750472570.4596212, '_creation_time': 1750472570.4596212, 'initial_search_params': {'facet.field': ['organization', 'tags', 'res_format', 'license_id'], 'fq': [' owner_org:"156e8074-ae7b-4094-83cb-afb3529824c4" -dataset_type:harvest', '+site_id:"default"', '+state:active', '+permission_labels:("public")'], 'q': '*:*', 'rows': 21, 'start': 117700, 'df': 'text', 'mm': '5<-4 9<-90%', 'defType': 'edismax', 'bf': '0', 'qf': 'title^5 text', 'sort': 'score desc, metadata_modified desc', 'fl': 'id validated_data_dict', 'facet': 'true', 'facet.limit': '50', 'facet.mincount': 1, 'wt': 'json', 'tie': '0.1', 'q.op': 'AND', 'extras': {}}, 'search_results_final': {'count': 122512, 'facets': {'organization': {'massbank': 122512}, 'tags': {'liquid-chromatography-mass-spectrometry': 24}, 'res_format': {'HTML': 122512}, 'license_id': {'CC-BY-4.0': 38172, 'CC-BY-NC-SA-4.0': 32337, 'CC BY-SA 4.0': 16619, 'CC BY-NC 4.0': 8432, 'notspecified': 1}}, 'results': [{'author_email': None, 'creator_user_id': '1be646ae-ab26-47b8-8835-e4b27f11961e', 'exactmass': '280.0630112', 'id': 'msbnk-athens_univ-au101502', 'inchi': 'InChI=1S/C11H12N4O3S/c1-18-11-7-6-10(13-14-11)15-19(16,17)9-4-2-8(12)3-5-9/h2-7H,12H2,1H3,(H,13,15)', 'inchi_key': 'VLYWMPOKSSWJAL-UHFFFAOYSA-N', 'isopen': False, 'license_id': 'CC BY-SA 4.0', 'license_title': 'Attribution-ShareAlike 4.0 International (CC BY-SA 4.0)', 'license_url': 'https://creativecommons.org/licenses/by-sa/4.0', 'maintainer_email': None, 'measurement_technique': 'liquid chromatography-mass spectrometry', 'measurement_technique_iri': 'http://purl.obolibrary.org/obo/CHMO_0000524', 'metadata_created': '2024-01-11T10:14:12.698431', 'metadata_modified': '2025-02-08T19:04:10.017038', 'metadata_published': '2015-09-22', 'mol_formula': 'C11H12N4O3S', 'name': 'msbnk-athens_univ-au101502', 'notes': 'This MassBank record with Accession MSBNK-Athens_Univ-AU101502 contains the MS2 mass spectrum of Sulfamethoxypyridazine with the InChIkey VLYWMPOKSSWJAL-UHFFFAOYSA-N.', 'num_resources': 1, 'num_tags': 0, 'organization': {'id': '156e8074-ae7b-4094-83cb-afb3529824c4', 'name': 'massbank', 'title': 'MassBank', 'type': 'repository', 'description': 'MassBank is an open source mass spectral library for the identification of small chemical molecules of metabolomics, exposomics and environmental relevance.', 'image_url': '2022-04-25-134442.697545massbank.jpeg', 'created': '2022-04-25T15:44:42.707561', 'is_organization': True, 'approval_status': 'approved', 'state': 'active'}, 'owner_org': '156e8074-ae7b-4094-83cb-afb3529824c4', 'private': False, 'related_study': '[]', 'smiles': 'COc1ccc(nn1)NS(=O)(=O)c2ccc(cc2)N', 'state': 'active', 'title': 'Sulfamethoxypyridazine', 'type': 'dataset', 'url': 'https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Athens_Univ-AU101502', 'extras': [{'key': 'license_url', 'value': 'https://creativecommons.org/licenses/by-sa/4.0'}, {'key': 'metadata_created', 'value': '2024-01-11T10:14:12.698431'}, {'key': 'metadata_modified', 'value': '2024-01-11T10:14:12.881633'}], 'resources': [{'cache_last_updated': None, 'cache_url': None, 'created': '2024-01-11T10:14:12.699871', 'datastore_active': False, 'format': 'HTML', 'hash': '', 'id': 'de0a0852-53bf-4b77-ac7b-f372436e7cdb', 'last_modified': None, 'metadata_modified': '2024-01-11T10:14:12.889395', 'mimetype': None, 'mimetype_inner': None, 'name': 'Sulfamethoxypyridazine', 'package_id': 'msbnk-athens_univ-au101502', 'position': 0, 'resource_type': 'HTML', 'size': None, 'state': 'active', 'url': 'https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Athens_Univ-AU101502', 'url_type': None}], 'tags': [], 'groups': [], 'relationships_as_subject': [], 'relationships_as_object': []}, {'author_email': None, 'creator_user_id': '1be646ae-ab26-47b8-8835-e4b27f11961e', 'exactmass': '312.1141742', 'id': 'msbnk-athens_univ-au156305', 'inchi': 'InChI=1S/C17H17ClN4/c18-12-5-6-15-16(11-12)21-17(22-9-7-19-8-10-22)13-3-1-2-4-14(13)20-15/h1-6,11,19-20H,7-10H2', 'inchi_key': 'JNNOSTQEZICQQP-UHFFFAOYSA-N', 'isopen': False, 'license_id': 'CC BY-SA 4.0', 'license_title': 'Attribution-ShareAlike 4.0 International (CC BY-SA 4.0)', 'license_url': 'https://creativecommons.org/licenses/by-sa/4.0', 'maintainer_email': None, 'measurement_technique': 'liquid chromatography-mass spectrometry', 'measurement_technique_iri': 'http://purl.obolibrary.org/obo/CHMO_0000524', 'metadata_created': '2024-01-11T09:51:04.140286', 'metadata_modified': '2025-02-08T19:04:09.709505', 'metadata_published': '2015-12-07', 'mol_formula': 'C17H17ClN4', 'name': 'msbnk-athens_univ-au156305', 'notes': 'This MassBank record with Accession MSBNK-Athens_Univ-AU156305 contains the MS2 mass spectrum of Norclozapine with the InChIkey JNNOSTQEZICQQP-UHFFFAOYSA-N.', 'num_resources': 1, 'num_tags': 0, 'organization': {'id': '156e8074-ae7b-4094-83cb-afb3529824c4', 'name': 'massbank', 'title': 'MassBank', 'type': 'repository', 'description': 'MassBank is an open source mass spectral library for the identification of small chemical molecules of metabolomics, exposomics and environmental relevance.', 'image_url': '2022-04-25-134442.697545massbank.jpeg', 'created': '2022-04-25T15:44:42.707561', 'is_organization': True, 'approval_status': 'approved', 'state': 'active'}, 'owner_org': '156e8074-ae7b-4094-83cb-afb3529824c4', 'private': False, 'related_study': '[]', 'smiles': 'C1CN(CCN1)C2=NC3=C(C=CC(=C3)Cl)NC4=CC=CC=C42', 'state': 'active', 'title': 'Norclozapine', 'type': 'dataset', 'url': 'https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Athens_Univ-AU156305', 'extras': [{'key': 'license_url', 'value': 'https://creativecommons.org/licenses/by-sa/4.0'}, {'key': 'metadata_created', 'value': '2024-01-11T09:51:04.140286'}, {'key': 'metadata_modified', 'value': '2024-01-11T09:51:04.280429'}], 'resources': [{'cache_last_updated': None, 'cache_url': None, 'created': '2024-01-11T09:51:04.141644', 'datastore_active': False, 'format': 'HTML', 'hash': '', 'id': '69dfd892-37b2-4ae2-86bc-304c58317173', 'last_modified': None, 'metadata_modified': '2024-01-11T09:51:04.286202', 'mimetype': None, 'mimetype_inner': None, 'name': 'Norclozapine', 'package_id': 'msbnk-athens_univ-au156305', 'position': 0, 'resource_type': 'HTML', 'size': None, 'state': 'active', 'url': 'https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Athens_Univ-AU156305', 'url_type': None}], 'tags': [], 'groups': [], 'relationships_as_subject': [], 'relationships_as_object': []}, {'author_email': None, 'creator_user_id': '1be646ae-ab26-47b8-8835-e4b27f11961e', 'exactmass': '198.0905463', 'id': 'msbnk-athens_univ-au243703', 'inchi': 'InChI=1S/C11H10N4/c1-15-9-5-4-8-7(3-2-6-13-8)10(9)14-11(15)12/h2-6H,1H3,(H2,12,14)', 'inchi_key': 'ARZWATDYIYAUTA-UHFFFAOYSA-N', 'isopen': False, 'license_id': 'CC-BY-4.0', 'license_title': 'Attribution 4.0 International (CC BY 4.0)', 'license_url': 'https://creativecommons.org/licenses/by/4.0', 'maintainer_email': None, 'measurement_technique': 'liquid chromatography-mass spectrometry', 'measurement_technique_iri': 'http://purl.obolibrary.org/obo/CHMO_0000524', 'metadata_created': '2024-01-11T09:44:35.122363', 'metadata_modified': '2025-02-08T19:04:09.400659', 'metadata_published': '2019-04-05', 'mol_formula': 'C11H10N4', 'name': 'msbnk-athens_univ-au243703', 'notes': 'This MassBank record with Accession MSBNK-Athens_Univ-AU243703 contains the MS2 mass spectrum of 2-Amino-3-methyl-imidazo[4,5-f]quinoline (IQ) with the InChIkey ARZWATDYIYAUTA-UHFFFAOYSA-N.', 'num_resources': 1, 'num_tags': 0, 'organization': {'id': '156e8074-ae7b-4094-83cb-afb3529824c4', 'name': 'massbank', 'title': 'MassBank', 'type': 'repository', 'description': 'MassBank is an open source mass spectral library for the identification of small chemical molecules of metabolomics, exposomics and environmental relevance.', 'image_url': '2022-04-25-134442.697545massbank.jpeg', 'created': '2022-04-25T15:44:42.707561', 'is_organization': True, 'approval_status': 'approved', 'state': 'active'}, 'owner_org': '156e8074-ae7b-4094-83cb-afb3529824c4', 'private': False, 'related_study': '[]', 'smiles': 'CN1C(N)=NC2=C1C=CC1=NC=CC=C21', 'state': 'active', 'title': '2-Amino-3-methyl-imidazo[4,5-f]quinoline (IQ)', 'type': 'dataset', 'url': 'https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Athens_Univ-AU243703', 'extras': [{'key': 'metadata_created', 'value': '2024-01-11T09:44:35.122363'}, {'key': 'metadata_modified', 'value': '2024-01-11T09:44:35.306903'}], 'resources': [{'cache_last_updated': None, 'cache_url': None, 'created': '2024-01-11T09:44:35.123828', 'datastore_active': False, 'format': 'HTML', 'hash': '', 'id': 'c6712091-07ec-4c90-b040-53b3eb76c413', 'last_modified': None, 'metadata_modified': '2024-01-11T09:44:35.313498', 'mimetype': None, 'mimetype_inner': None, 'name': '2-Amino-3-methyl-imidazo[4,5-f]quinoline (IQ)', 'package_id': 'msbnk-athens_univ-au243703', 'position': 0, 'resource_type': 'HTML', 'size': None, 'state': 'active', 'url': 'https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Athens_Univ-AU243703', 'url_type': None}], 'tags': [], 'groups': [], 'relationships_as_subject': [], 'relationships_as_object': []}, {'author_email': None, 'creator_user_id': '1be646ae-ab26-47b8-8835-e4b27f11961e', 'exactmass': '166.0966943', 'id': 'msbnk-athens_univ-au302110', 'inchi': 'InChI=1S/C6H10N6/c7-4-10-5(8)12-6(11-4)9-3-1-2-3/h3H,1-2H2,(H5,7,8,9,10,11,12)', 'inchi_key': 'LVQDKIWDGQRHTE-UHFFFAOYSA-N', 'isopen': False, 'license_id': 'CC-BY-4.0', 'license_title': 'Attribution 4.0 International (CC BY 4.0)', 'license_url': 'https://creativecommons.org/licenses/by/4.0', 'maintainer_email': None, 'measurement_technique': 'liquid chromatography-mass spectrometry', 'measurement_technique_iri': 'http://purl.obolibrary.org/obo/CHMO_0000524', 'metadata_created': '2024-01-11T10:08:38.930025', 'metadata_modified': '2025-02-08T19:04:09.086908', 'metadata_published': '2016-02-26', 'mol_formula': 'C6H10N6', 'name': 'msbnk-athens_univ-au302110', 'notes': 'This MassBank record with Accession MSBNK-Athens_Univ-AU302110 contains the MS2 mass spectrum of Cyromazine with the InChIkey LVQDKIWDGQRHTE-UHFFFAOYSA-N.', 'num_resources': 1, 'num_tags': 0, 'organization': {'id': '156e8074-ae7b-4094-83cb-afb3529824c4', 'name': 'massbank', 'title': 'MassBank', 'type': 'repository', 'description': 'MassBank is an open source mass spectral library for the identification of small chemical molecules of metabolomics, exposomics and environmental relevance.', 'image_url': '2022-04-25-134442.697545massbank.jpeg', 'created': '2022-04-25T15:44:42.707561', 'is_organization': True, 'approval_status': 'approved', 'state': 'active'}, 'owner_org': '156e8074-ae7b-4094-83cb-afb3529824c4', 'private': False, 'related_study': '[]', 'smiles': 'C1CC1Nc2nc(nc(n2)N)N', 'state': 'active', 'title': 'Cyromazine', 'type': 'dataset', 'url': 'https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Athens_Univ-AU302110', 'extras': [{'key': 'metadata_created', 'value': '2024-01-11T10:08:38.930025'}, {'key': 'metadata_modified', 'value': '2024-01-11T10:08:39.082026'}], 'resources': [{'cache_last_updated': None, 'cache_url': None, 'created': '2024-01-11T10:08:38.931495', 'datastore_active': False, 'format': 'HTML', 'hash': '', 'id': '02202011-e711-49c8-a9ea-fab90f20554d', 'last_modified': None, 'metadata_modified': '2024-01-11T10:08:39.088338', 'mimetype': None, 'mimetype_inner': None, 'name': 'Cyromazine', 'package_id': 'msbnk-athens_univ-au302110', 'position': 0, 'resource_type': 'HTML', 'size': None, 'state': 'active', 'url': 'https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Athens_Univ-AU302110', 'url_type': None}], 'tags': [], 'groups': [], 'relationships_as_subject': [], 'relationships_as_object': []}, {'author_email': None, 'creator_user_id': '1be646ae-ab26-47b8-8835-e4b27f11961e', 'exactmass': '170.1055277', 'id': 'msbnk-athens_univ-au160531', 'inchi': 'InChI=1S/C8H14N2O2/c1-2-6(8(9)12)10-5-3-4-7(10)11/h6H,2-5H2,1H3,(H2,9,12)/t6-/m1/s1', 'inchi_key': 'HPHUVLMMVZITSG-ZCFIWIBFSA-N', 'isopen': False, 'license_id': 'CC-BY-4.0', 'license_title': 'Attribution 4.0 International (CC BY 4.0)', 'license_url': 'https://creativecommons.org/licenses/by/4.0', 'maintainer_email': None, 'measurement_technique': 'liquid chromatography-mass spectrometry', 'measurement_technique_iri': 'http://purl.obolibrary.org/obo/CHMO_0000524', 'metadata_created': '2024-01-11T09:57:42.593683', 'metadata_modified': '2025-02-08T19:04:08.778548', 'metadata_published': '2016-02-28', 'mol_formula': 'C8H14N2O2', 'name': 'msbnk-athens_univ-au160531', 'notes': 'This MassBank record with Accession MSBNK-Athens_Univ-AU160531 contains the MS2 mass spectrum of Levetiracetam with the InChIkey HPHUVLMMVZITSG-ZCFIWIBFSA-N.', 'num_resources': 1, 'num_tags': 0, 'organization': {'id': '156e8074-ae7b-4094-83cb-afb3529824c4', 'name': 'massbank', 'title': 'MassBank', 'type': 'repository', 'description': 'MassBank is an open source mass spectral library for the identification of small chemical molecules of metabolomics, exposomics and environmental relevance.', 'image_url': '2022-04-25-134442.697545massbank.jpeg', 'created': '2022-04-25T15:44:42.707561', 'is_organization': True, 'approval_status': 'approved', 'state': 'active'}, 'owner_org': '156e8074-ae7b-4094-83cb-afb3529824c4', 'private': False, 'related_study': '[]', 'smiles': 'CC[C@H](C(=O)N)N1CCCC1=O', 'state': 'active', 'title': 'Levetiracetam', 'type': 'dataset', 'url': 'https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Athens_Univ-AU160531', 'extras': [{'key': 'metadata_created', 'value': '2024-01-11T09:57:42.593683'}, {'key': 'metadata_modified', 'value': '2024-01-11T09:57:42.761609'}], 'resources': [{'cache_last_updated': None, 'cache_url': None, 'created': '2024-01-11T09:57:42.595131', 'datastore_active': False, 'format': 'HTML', 'hash': '', 'id': '5645c932-f656-4892-823f-04928568b724', 'last_modified': None, 'metadata_modified': '2024-01-11T09:57:42.768325', 'mimetype': None, 'mimetype_inner': None, 'name': 'Levetiracetam', 'package_id': 'msbnk-athens_univ-au160531', 'position': 0, 'resource_type': 'HTML', 'size': None, 'state': 'active', 'url': 'https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Athens_Univ-AU160531', 'url_type': None}], 'tags': [], 'groups': [], 'relationships_as_subject': [], 'relationships_as_object': []}, {'author_email': None, 'creator_user_id': '1be646ae-ab26-47b8-8835-e4b27f11961e', 'exactmass': '217.0061193', 'id': 'msbnk-athens_univ-au233160', 'inchi': 'InChI=1S/C9H9Cl2NO/c1-2-9(13)12-6-3-4-7(10)8(11)5-6/h3-5H,2H2,1H3,(H,12,13)', 'inchi_key': 'LFULEKSKNZEWOE-UHFFFAOYSA-N', 'isopen': False, 'license_id': 'CC-BY-4.0', 'license_title': 'Attribution 4.0 International (CC BY 4.0)', 'license_url': 'https://creativecommons.org/licenses/by/4.0', 'maintainer_email': None, 'measurement_technique': 'liquid chromatography-mass spectrometry', 'measurement_technique_iri': 'http://purl.obolibrary.org/obo/CHMO_0000524', 'metadata_created': '2024-01-11T08:50:45.676437', 'metadata_modified': '2025-02-08T19:04:08.478741', 'metadata_published': '2019-03-28', 'mol_formula': 'C9H9Cl2NO', 'name': 'msbnk-athens_univ-au233160', 'notes': 'This MassBank record with Accession MSBNK-Athens_Univ-AU233160 contains the MS2 mass spectrum of Propanil with the InChIkey LFULEKSKNZEWOE-UHFFFAOYSA-N.', 'num_resources': 1, 'num_tags': 0, 'organization': {'id': '156e8074-ae7b-4094-83cb-afb3529824c4', 'name': 'massbank', 'title': 'MassBank', 'type': 'repository', 'description': 'MassBank is an open source mass spectral library for the identification of small chemical molecules of metabolomics, exposomics and environmental relevance.', 'image_url': '2022-04-25-134442.697545massbank.jpeg', 'created': '2022-04-25T15:44:42.707561', 'is_organization': True, 'approval_status': 'approved', 'state': 'active'}, 'owner_org': '156e8074-ae7b-4094-83cb-afb3529824c4', 'private': False, 'related_study': '[]', 'smiles': 'CCC(=O)NC1=CC(Cl)=C(Cl)C=C1', 'state': 'active', 'title': 'Propanil', 'type': 'dataset', 'url': 'https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Athens_Univ-AU233160', 'extras': [{'key': 'metadata_created', 'value': '2024-01-11T08:50:45.676437'}, {'key': 'metadata_modified', 'value': '2024-01-11T10:15:26.987072'}], 'resources': [{'cache_last_updated': None, 'cache_url': None, 'created': '2024-01-11T08:50:45.678915', 'datastore_active': False, 'format': 'HTML', 'hash': '', 'id': 'ea282cd4-2eba-4ce4-a2cb-a924b7d8d101', 'last_modified': None, 'metadata_modified': '2024-01-11T08:50:45.846199', 'mimetype': None, 'mimetype_inner': None, 'name': 'Propanil', 'package_id': 'msbnk-athens_univ-au233160', 'position': 0, 'resource_type': 'HTML', 'size': None, 'state': 'active', 'url': 'https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Athens_Univ-AU233160', 'url_type': None}], 'tags': [], 'groups': [], 'relationships_as_subject': [], 'relationships_as_object': []}, {'author_email': None, 'creator_user_id': '1be646ae-ab26-47b8-8835-e4b27f11961e', 'exactmass': '232.0170183', 'id': 'msbnk-athens_univ-au341002', 'inchi': 'InChI=1S/C9H10Cl2N2O/c1-13(2)9(14)12-6-3-4-7(10)8(11)5-6/h3-5H,1-2H3,(H,12,14)', 'inchi_key': 'XMTQQYYKAHVGBJ-UHFFFAOYSA-N', 'isopen': False, 'license_id': 'CC BY-SA 4.0', 'license_title': 'Attribution-ShareAlike 4.0 International (CC BY-SA 4.0)', 'license_url': 'https://creativecommons.org/licenses/by-sa/4.0', 'maintainer_email': None, 'measurement_technique': 'liquid chromatography-mass spectrometry', 'measurement_technique_iri': 'http://purl.obolibrary.org/obo/CHMO_0000524', 'metadata_created': '2024-01-11T09:53:03.451607', 'metadata_modified': '2025-02-08T19:04:08.164706', 'metadata_published': '2015-12-08', 'mol_formula': 'C9H10Cl2N2O', 'name': 'msbnk-athens_univ-au341002', 'notes': 'This MassBank record with Accession MSBNK-Athens_Univ-AU341002 contains the MS2 mass spectrum of Diuron with the InChIkey XMTQQYYKAHVGBJ-UHFFFAOYSA-N.', 'num_resources': 1, 'num_tags': 0, 'organization': {'id': '156e8074-ae7b-4094-83cb-afb3529824c4', 'name': 'massbank', 'title': 'MassBank', 'type': 'repository', 'description': 'MassBank is an open source mass spectral library for the identification of small chemical molecules of metabolomics, exposomics and environmental relevance.', 'image_url': '2022-04-25-134442.697545massbank.jpeg', 'created': '2022-04-25T15:44:42.707561', 'is_organization': True, 'approval_status': 'approved', 'state': 'active'}, 'owner_org': '156e8074-ae7b-4094-83cb-afb3529824c4', 'private': False, 'related_study': '[]', 'smiles': 'CN(C)C(=O)NC1=CC(Cl)=C(Cl)C=C1', 'state': 'active', 'title': 'Diuron', 'type': 'dataset', 'url': 'https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Athens_Univ-AU341002', 'extras': [{'key': 'license_url', 'value': 'https://creativecommons.org/licenses/by-sa/4.0'}, {'key': 'metadata_created', 'value': '2024-01-11T09:53:03.451607'}, {'key': 'metadata_modified', 'value': '2024-01-11T09:53:03.597002'}], 'resources': [{'cache_last_updated': None, 'cache_url': None, 'created': '2024-01-11T09:53:03.452906', 'datastore_active': False, 'format': 'HTML', 'hash': '', 'id': '17e5e527-dfd1-453f-b5ca-c686dac90ef5', 'last_modified': None, 'metadata_modified': '2024-01-11T09:53:03.602539', 'mimetype': None, 'mimetype_inner': None, 'name': 'Diuron', 'package_id': 'msbnk-athens_univ-au341002', 'position': 0, 'resource_type': 'HTML', 'size': None, 'state': 'active', 'url': 'https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Athens_Univ-AU341002', 'url_type': None}], 'tags': [], 'groups': [], 'relationships_as_subject': [], 'relationships_as_object': []}, {'author_email': None, 'creator_user_id': '1be646ae-ab26-47b8-8835-e4b27f11961e', 'exactmass': '389.1011706', 'id': 'msbnk-athens_univ-au203108', 'inchi': 'InChI=1S/C21H15N3O5/c1-27-12-16(21(25)26)15-7-3-5-9-18(15)29-20-10-19(23-13-24-20)28-17-8-4-2-6-14(17)11-22/h2-10,12-13H,1H3,(H,25,26)/b16-12+', 'inchi_key': 'IKCXDZCEWZARFL-FOWTUZBSSA-N', 'isopen': False, 'license_id': 'CC-BY-4.0', 'license_title': 'Attribution 4.0 International (CC BY 4.0)', 'license_url': 'https://creativecommons.org/licenses/by/4.0', 'maintainer_email': None, 'measurement_technique': 'liquid chromatography-mass spectrometry', 'measurement_technique_iri': 'http://purl.obolibrary.org/obo/CHMO_0000524', 'metadata_created': '2024-01-11T10:04:29.120992', 'metadata_modified': '2025-02-08T19:04:07.863856', 'metadata_published': '2016-02-26', 'mol_formula': 'C21H15N3O5', 'name': 'msbnk-athens_univ-au203108', 'notes': 'This MassBank record with Accession MSBNK-Athens_Univ-AU203108 contains the MS2 mass spectrum of Azoxystrobin acid with the InChIkey IKCXDZCEWZARFL-FOWTUZBSSA-N.', 'num_resources': 1, 'num_tags': 0, 'organization': {'id': '156e8074-ae7b-4094-83cb-afb3529824c4', 'name': 'massbank', 'title': 'MassBank', 'type': 'repository', 'description': 'MassBank is an open source mass spectral library for the identification of small chemical molecules of metabolomics, exposomics and environmental relevance.', 'image_url': '2022-04-25-134442.697545massbank.jpeg', 'created': '2022-04-25T15:44:42.707561', 'is_organization': True, 'approval_status': 'approved', 'state': 'active'}, 'owner_org': '156e8074-ae7b-4094-83cb-afb3529824c4', 'private': False, 'related_study': '[]', 'smiles': 'CO\\C=C(\\C(O)=O)c1ccccc1Oc1cc(Oc2ccccc2C#N)ncn1', 'state': 'active', 'title': 'Azoxystrobin acid', 'type': 'dataset', 'url': 'https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Athens_Univ-AU203108', 'extras': [{'key': 'metadata_created', 'value': '2024-01-11T10:04:29.120992'}, {'key': 'metadata_modified', 'value': '2024-01-11T10:04:29.270436'}], 'resources': [{'cache_last_updated': None, 'cache_url': None, 'created': '2024-01-11T10:04:29.122342', 'datastore_active': False, 'format': 'HTML', 'hash': '', 'id': '4a1a1cf3-e199-46c3-bcf4-ae9572b0eda5', 'last_modified': None, 'metadata_modified': '2024-01-11T10:04:29.276201', 'mimetype': None, 'mimetype_inner': None, 'name': 'Azoxystrobin acid', 'package_id': 'msbnk-athens_univ-au203108', 'position': 0, 'resource_type': 'HTML', 'size': None, 'state': 'active', 'url': 'https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Athens_Univ-AU203108', 'url_type': None}], 'tags': [], 'groups': [], 'relationships_as_subject': [], 'relationships_as_object': []}, {'author_email': None, 'creator_user_id': '1be646ae-ab26-47b8-8835-e4b27f11961e', 'exactmass': '194.0942943', 'id': 'msbnk-athens_univ-au236857', 'inchi': 'InChI=1S/C11H14O3/c1-2-3-8-14-11(13)9-4-6-10(12)7-5-9/h4-7,12H,2-3,8H2,1H3', 'inchi_key': 'QFOHBWFCKVYLES-UHFFFAOYSA-N', 'isopen': False, 'license_id': 'CC-BY-4.0', 'license_title': 'Attribution 4.0 International (CC BY 4.0)', 'license_url': 'https://creativecommons.org/licenses/by/4.0', 'maintainer_email': None, 'measurement_technique': 'liquid chromatography-mass spectrometry', 'measurement_technique_iri': 'http://purl.obolibrary.org/obo/CHMO_0000524', 'metadata_created': '2024-01-11T09:58:14.027513', 'metadata_modified': '2025-02-08T19:04:07.578498', 'metadata_published': '2019-03-29', 'mol_formula': 'C11H14O3', 'name': 'msbnk-athens_univ-au236857', 'notes': 'This MassBank record with Accession MSBNK-Athens_Univ-AU236857 contains the MS2 mass spectrum of Butylparaben with the InChIkey QFOHBWFCKVYLES-UHFFFAOYSA-N.', 'num_resources': 1, 'num_tags': 0, 'organization': {'id': '156e8074-ae7b-4094-83cb-afb3529824c4', 'name': 'massbank', 'title': 'MassBank', 'type': 'repository', 'description': 'MassBank is an open source mass spectral library for the identification of small chemical molecules of metabolomics, exposomics and environmental relevance.', 'image_url': '2022-04-25-134442.697545massbank.jpeg', 'created': '2022-04-25T15:44:42.707561', 'is_organization': True, 'approval_status': 'approved', 'state': 'active'}, 'owner_org': '156e8074-ae7b-4094-83cb-afb3529824c4', 'private': False, 'related_study': '[]', 'smiles': 'CCCCOC(=O)C1=CC=C(O)C=C1', 'state': 'active', 'title': 'Butylparaben', 'type': 'dataset', 'url': 'https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Athens_Univ-AU236857', 'extras': [{'key': 'metadata_created', 'value': '2024-01-11T09:58:14.027513'}, {'key': 'metadata_modified', 'value': '2024-01-11T09:58:14.169412'}], 'resources': [{'cache_last_updated': None, 'cache_url': None, 'created': '2024-01-11T09:58:14.028907', 'datastore_active': False, 'format': 'HTML', 'hash': '', 'id': '7cb1b4e4-2541-4d0e-a0bb-294f82cd3106', 'last_modified': None, 'metadata_modified': '2024-01-11T09:58:14.175857', 'mimetype': None, 'mimetype_inner': None, 'name': 'Butylparaben', 'package_id': 'msbnk-athens_univ-au236857', 'position': 0, 'resource_type': 'HTML', 'size': None, 'state': 'active', 'url': 'https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Athens_Univ-AU236857', 'url_type': None}], 'tags': [], 'groups': [], 'relationships_as_subject': [], 'relationships_as_object': []}, {'author_email': None, 'creator_user_id': '1be646ae-ab26-47b8-8835-e4b27f11961e', 'exactmass': '379.1696052', 'id': 'msbnk-athens_univ-au120711', 'inchi': 'InChI=1S/C22H22FN3O2/c23-17-9-7-16(8-10-17)21(27)6-3-13-25-14-11-18(12-15-25)26-20-5-2-1-4-19(20)24-22(26)28/h1-2,4-5,7-11H,3,6,12-15H2,(H,24,28)', 'inchi_key': 'RMEDXOLNCUSCGS-UHFFFAOYSA-N', 'isopen': False, 'license_id': 'CC-BY-4.0', 'license_title': 'Attribution 4.0 International (CC BY 4.0)', 'license_url': 'https://creativecommons.org/licenses/by/4.0', 'maintainer_email': None, 'measurement_technique': 'liquid chromatography-mass spectrometry', 'measurement_technique_iri': 'http://purl.obolibrary.org/obo/CHMO_0000524', 'metadata_created': '2024-01-11T09:55:16.481815', 'metadata_modified': '2025-02-08T19:04:07.228406', 'metadata_published': '2016-02-25', 'mol_formula': 'C22H22FN3O2', 'name': 'msbnk-athens_univ-au120711', 'notes': 'This MassBank record with Accession MSBNK-Athens_Univ-AU120711 contains the MS2 mass spectrum of Droperidol with the InChIkey RMEDXOLNCUSCGS-UHFFFAOYSA-N.', 'num_resources': 1, 'num_tags': 0, 'organization': {'id': '156e8074-ae7b-4094-83cb-afb3529824c4', 'name': 'massbank', 'title': 'MassBank', 'type': 'repository', 'description': 'MassBank is an open source mass spectral library for the identification of small chemical molecules of metabolomics, exposomics and environmental relevance.', 'image_url': '2022-04-25-134442.697545massbank.jpeg', 'created': '2022-04-25T15:44:42.707561', 'is_organization': True, 'approval_status': 'approved', 'state': 'active'}, 'owner_org': '156e8074-ae7b-4094-83cb-afb3529824c4', 'private': False, 'related_study': '[]', 'smiles': 'c1ccc2c(c1)nc(n2C3=CCN(CC3)CCCC(=O)c4ccc(cc4)F)O', 'state': 'active', 'title': 'Droperidol', 'type': 'dataset', 'url': 'https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Athens_Univ-AU120711', 'extras': [{'key': 'metadata_created', 'value': '2024-01-11T09:55:16.481815'}, {'key': 'metadata_modified', 'value': '2024-01-11T09:55:16.639360'}], 'resources': [{'cache_last_updated': None, 'cache_url': None, 'created': '2024-01-11T09:55:16.483146', 'datastore_active': False, 'format': 'HTML', 'hash': '', 'id': '7e84ac2e-aaae-42fa-bb6a-039f8d621266', 'last_modified': None, 'metadata_modified': '2024-01-11T09:55:16.644837', 'mimetype': None, 'mimetype_inner': None, 'name': 'Droperidol', 'package_id': 'msbnk-athens_univ-au120711', 'position': 0, 'resource_type': 'HTML', 'size': None, 'state': 'active', 'url': 'https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Athens_Univ-AU120711', 'url_type': None}], 'tags': [], 'groups': [], 'relationships_as_subject': [], 'relationships_as_object': []}, {'author_email': None, 'creator_user_id': '1be646ae-ab26-47b8-8835-e4b27f11961e', 'exactmass': '201.0789786', 'id': 'msbnk-athens_univ-au262401', 'inchi': 'InChI=1S/C12H11NO2/c1-13-12(14)15-11-8-4-6-9-5-2-3-7-10(9)11/h2-8H,1H3,(H,13,14)', 'inchi_key': 'CVXBEEMKQHEXEN-UHFFFAOYSA-N', 'isopen': False, 'license_id': 'CC-BY-4.0', 'license_title': 'Attribution 4.0 International (CC BY 4.0)', 'license_url': 'https://creativecommons.org/licenses/by/4.0', 'maintainer_email': None, 'measurement_technique': 'liquid chromatography-mass spectrometry', 'measurement_technique_iri': 'http://purl.obolibrary.org/obo/CHMO_0000524', 'metadata_created': '2024-01-11T10:10:32.239596', 'metadata_modified': '2025-02-08T19:04:06.958696', 'metadata_published': '2019-05-30', 'mol_formula': 'C12H11NO2', 'name': 'msbnk-athens_univ-au262401', 'notes': 'This MassBank record with Accession MSBNK-Athens_Univ-AU262401 contains the MS2 mass spectrum of Carbaryl with the InChIkey CVXBEEMKQHEXEN-UHFFFAOYSA-N.', 'num_resources': 1, 'num_tags': 0, 'organization': {'id': '156e8074-ae7b-4094-83cb-afb3529824c4', 'name': 'massbank', 'title': 'MassBank', 'type': 'repository', 'description': 'MassBank is an open source mass spectral library for the identification of small chemical molecules of metabolomics, exposomics and environmental relevance.', 'image_url': '2022-04-25-134442.697545massbank.jpeg', 'created': '2022-04-25T15:44:42.707561', 'is_organization': True, 'approval_status': 'approved', 'state': 'active'}, 'owner_org': '156e8074-ae7b-4094-83cb-afb3529824c4', 'private': False, 'related_study': '[]', 'smiles': 'CNC(=O)OC1=C2C=CC=CC2=CC=C1', 'state': 'active', 'title': 'Carbaryl', 'type': 'dataset', 'url': 'https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Athens_Univ-AU262401', 'extras': [{'key': 'metadata_created', 'value': '2024-01-11T10:10:32.239596'}, {'key': 'metadata_modified', 'value': '2024-01-11T10:10:32.382039'}], 'resources': [{'cache_last_updated': None, 'cache_url': None, 'created': '2024-01-11T10:10:32.240955', 'datastore_active': False, 'format': 'HTML', 'hash': '', 'id': '7d761004-e07f-4c89-9eaf-868c32287aa9', 'last_modified': None, 'metadata_modified': '2024-01-11T10:10:32.387388', 'mimetype': None, 'mimetype_inner': None, 'name': 'Carbaryl', 'package_id': 'msbnk-athens_univ-au262401', 'position': 0, 'resource_type': 'HTML', 'size': None, 'state': 'active', 'url': 'https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Athens_Univ-AU262401', 'url_type': None}], 'tags': [], 'groups': [], 'relationships_as_subject': [], 'relationships_as_object': []}, {'author_email': None, 'creator_user_id': '1be646ae-ab26-47b8-8835-e4b27f11961e', 'exactmass': '220.067034', 'id': 'msbnk-athens_univ-au287704', 'inchi': 'InChI=1S/C11H12N2OS/c1-2-4-10-9(3-1)12-11(15-10)13-5-7-14-8-6-13/h1-4H,5-8H2', 'inchi_key': 'VVUVJGRVEYHIHC-UHFFFAOYSA-N', 'isopen': False, 'license_id': 'CC-BY-4.0', 'license_title': 'Attribution 4.0 International (CC BY 4.0)', 'license_url': 'https://creativecommons.org/licenses/by/4.0', 'maintainer_email': None, 'measurement_technique': 'liquid chromatography-mass spectrometry', 'measurement_technique_iri': 'http://purl.obolibrary.org/obo/CHMO_0000524', 'metadata_created': '2024-01-11T09:43:23.841297', 'metadata_modified': '2025-02-08T19:04:06.618878', 'metadata_published': '2019-05-31', 'mol_formula': 'C11H12N2OS', 'name': 'msbnk-athens_univ-au287704', 'notes': 'This MassBank record with Accession MSBNK-Athens_Univ-AU287704 contains the MS2 mass spectrum of 2-(4-Morpholinyl)benzothiazole with the InChIkey VVUVJGRVEYHIHC-UHFFFAOYSA-N.', 'num_resources': 1, 'num_tags': 0, 'organization': {'id': '156e8074-ae7b-4094-83cb-afb3529824c4', 'name': 'massbank', 'title': 'MassBank', 'type': 'repository', 'description': 'MassBank is an open source mass spectral library for the identification of small chemical molecules of metabolomics, exposomics and environmental relevance.', 'image_url': '2022-04-25-134442.697545massbank.jpeg', 'created': '2022-04-25T15:44:42.707561', 'is_organization': True, 'approval_status': 'approved', 'state': 'active'}, 'owner_org': '156e8074-ae7b-4094-83cb-afb3529824c4', 'private': False, 'related_study': '[]', 'smiles': 'C1CN(CCO1)C1=NC2=CC=CC=C2S1', 'state': 'active', 'title': '2-(4-Morpholinyl)benzothiazole', 'type': 'dataset', 'url': 'https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Athens_Univ-AU287704', 'extras': [{'key': 'metadata_created', 'value': '2024-01-11T09:43:23.841297'}, {'key': 'metadata_modified', 'value': '2024-01-11T09:43:24.006193'}], 'resources': [{'cache_last_updated': None, 'cache_url': None, 'created': '2024-01-11T09:43:23.842667', 'datastore_active': False, 'format': 'HTML', 'hash': '', 'id': 'bbf6d631-f47c-4521-8045-72d91470f86b', 'last_modified': None, 'metadata_modified': '2024-01-11T09:43:24.012309', 'mimetype': None, 'mimetype_inner': None, 'name': '2-(4-Morpholinyl)benzothiazole', 'package_id': 'msbnk-athens_univ-au287704', 'position': 0, 'resource_type': 'HTML', 'size': None, 'state': 'active', 'url': 'https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Athens_Univ-AU287704', 'url_type': None}], 'tags': [], 'groups': [], 'relationships_as_subject': [], 'relationships_as_object': []}, {'author_email': None, 'creator_user_id': '1be646ae-ab26-47b8-8835-e4b27f11961e', 'exactmass': '277.1103', 'id': 'msbnk-athens_univ-au502509', 'inchi': 'InChI=1S/C18H15NO2/c1-2-21-18(20)16(13-19)17(14-9-5-3-6-10-14)15-11-7-4-8-12-15/h3-12H,2H2,1H3', 'inchi_key': 'IAJNXBNRYMEYAZ-UHFFFAOYSA-N', 'isopen': False, 'license_id': 'CC-BY-4.0', 'license_title': 'Attribution 4.0 International (CC BY 4.0)', 'license_url': 'https://creativecommons.org/licenses/by/4.0', 'maintainer_email': None, 'measurement_technique': 'liquid chromatography-mass spectrometry', 'measurement_technique_iri': 'http://purl.obolibrary.org/obo/CHMO_0000524', 'metadata_created': '2024-01-11T08:50:29.601699', 'metadata_modified': '2025-02-08T19:04:06.240287', 'metadata_published': '2021-04-20', 'mol_formula': 'C18H15NO2', 'name': 'msbnk-athens_univ-au502509', 'notes': 'This MassBank record with Accession MSBNK-Athens_Univ-AU502509 contains the MS2 mass spectrum of Ethyl 2-Cyano-3,3-diphenylacrylate with the InChIkey IAJNXBNRYMEYAZ-UHFFFAOYSA-N.', 'num_resources': 1, 'num_tags': 0, 'organization': {'id': '156e8074-ae7b-4094-83cb-afb3529824c4', 'name': 'massbank', 'title': 'MassBank', 'type': 'repository', 'description': 'MassBank is an open source mass spectral library for the identification of small chemical molecules of metabolomics, exposomics and environmental relevance.', 'image_url': '2022-04-25-134442.697545massbank.jpeg', 'created': '2022-04-25T15:44:42.707561', 'is_organization': True, 'approval_status': 'approved', 'state': 'active'}, 'owner_org': '156e8074-ae7b-4094-83cb-afb3529824c4', 'private': False, 'related_study': '[]', 'smiles': 'CCOC(=O)C(=C(C1=CC=CC=C1)C2=CC=CC=C2)C#N', 'state': 'active', 'title': 'Ethyl 2-Cyano-3,3-diphenylacrylate', 'type': 'dataset', 'url': 'https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Athens_Univ-AU502509', 'extras': [{'key': 'metadata_created', 'value': '2024-01-11T08:50:29.601699'}, {'key': 'metadata_modified', 'value': '2024-01-11T10:15:15.436702'}], 'resources': [{'cache_last_updated': None, 'cache_url': None, 'created': '2024-01-11T08:50:29.603991', 'datastore_active': False, 'format': 'HTML', 'hash': '', 'id': '33717e58-5bc5-4c8d-ad8c-9bcd67201698', 'last_modified': None, 'metadata_modified': '2024-01-11T08:50:29.838977', 'mimetype': None, 'mimetype_inner': None, 'name': 'Ethyl 2-Cyano-3,3-diphenylacrylate', 'package_id': 'msbnk-athens_univ-au502509', 'position': 0, 'resource_type': 'HTML', 'size': None, 'state': 'active', 'url': 'https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Athens_Univ-AU502509', 'url_type': None}], 'tags': [], 'groups': [], 'relationships_as_subject': [], 'relationships_as_object': []}, {'author_email': None, 'creator_user_id': '1be646ae-ab26-47b8-8835-e4b27f11961e', 'exactmass': '312.2089301', 'id': 'msbnk-athens_univ-au282705', 'inchi': 'InChI=1S/C21H28O2/c1-13(22)17-6-7-18-16-5-4-14-12-15(23)8-10-20(14,2)19(16)9-11-21(17,18)3/h4-5,12,16-19H,6-11H2,1-3H3/t16-,17+,18-,19+,20+,21+/m0/s1', 'inchi_key': 'JGMOKGBVKVMRFX-HQZYFCCVSA-N', 'isopen': False, 'license_id': 'CC-BY-4.0', 'license_title': 'Attribution 4.0 International (CC BY 4.0)', 'license_url': 'https://creativecommons.org/licenses/by/4.0', 'maintainer_email': None, 'measurement_technique': 'liquid chromatography-mass spectrometry', 'measurement_technique_iri': 'http://purl.obolibrary.org/obo/CHMO_0000524', 'metadata_created': '2024-01-11T10:09:26.747008', 'metadata_modified': '2025-02-08T19:04:05.947581', 'metadata_published': '2019-05-31', 'mol_formula': 'C21H28O2', 'name': 'msbnk-athens_univ-au282705', 'notes': 'This MassBank record with Accession MSBNK-Athens_Univ-AU282705 contains the MS2 mass spectrum of Dydrogesterone with the InChIkey JGMOKGBVKVMRFX-HQZYFCCVSA-N.', 'num_resources': 1, 'num_tags': 0, 'organization': {'id': '156e8074-ae7b-4094-83cb-afb3529824c4', 'name': 'massbank', 'title': 'MassBank', 'type': 'repository', 'description': 'MassBank is an open source mass spectral library for the identification of small chemical molecules of metabolomics, exposomics and environmental relevance.', 'image_url': '2022-04-25-134442.697545massbank.jpeg', 'created': '2022-04-25T15:44:42.707561', 'is_organization': True, 'approval_status': 'approved', 'state': 'active'}, 'owner_org': '156e8074-ae7b-4094-83cb-afb3529824c4', 'private': False, 'related_study': '[]', 'smiles': '[H][C@@]12CC[C@H](C(C)=O)[C@@]1(C)CC[C@]1([H])[C@@]2([H])C=CC2=CC(=O)CC[C@@]12C', 'state': 'active', 'title': 'Dydrogesterone', 'type': 'dataset', 'url': 'https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Athens_Univ-AU282705', 'extras': [{'key': 'metadata_created', 'value': '2024-01-11T10:09:26.747008'}, {'key': 'metadata_modified', 'value': '2024-01-11T10:09:26.895292'}], 'resources': [{'cache_last_updated': None, 'cache_url': None, 'created': '2024-01-11T10:09:26.748322', 'datastore_active': False, 'format': 'HTML', 'hash': '', 'id': '7e73c7d4-bce5-48e3-b707-d2edf914853b', 'last_modified': None, 'metadata_modified': '2024-01-11T10:09:26.901351', 'mimetype': None, 'mimetype_inner': None, 'name': 'Dydrogesterone', 'package_id': 'msbnk-athens_univ-au282705', 'position': 0, 'resource_type': 'HTML', 'size': None, 'state': 'active', 'url': 'https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Athens_Univ-AU282705', 'url_type': None}], 'tags': [], 'groups': [], 'relationships_as_subject': [], 'relationships_as_object': []}, {'author_email': None, 'creator_user_id': '1be646ae-ab26-47b8-8835-e4b27f11961e', 'exactmass': '133.0639972', 'id': 'msbnk-athens_univ-au200305', 'inchi': 'InChI=1S/C7H7N3/c8-7-9-5-3-1-2-4-6(5)10-7/h1-4H,(H3,8,9,10)', 'inchi_key': 'JWYUFVNJZUSCSM-UHFFFAOYSA-N', 'isopen': False, 'license_id': 'CC-BY-4.0', 'license_title': 'Attribution 4.0 International (CC BY 4.0)', 'license_url': 'https://creativecommons.org/licenses/by/4.0', 'maintainer_email': None, 'measurement_technique': 'liquid chromatography-mass spectrometry', 'measurement_technique_iri': 'http://purl.obolibrary.org/obo/CHMO_0000524', 'metadata_created': '2024-01-11T09:51:02.457591', 'metadata_modified': '2025-02-08T19:04:05.636871', 'metadata_published': '2016-02-22', 'mol_formula': 'C7H7N3', 'name': 'msbnk-athens_univ-au200305', 'notes': 'This MassBank record with Accession MSBNK-Athens_Univ-AU200305 contains the MS2 mass spectrum of 2-Aminobenzimidazole with the InChIkey JWYUFVNJZUSCSM-UHFFFAOYSA-N.', 'num_resources': 1, 'num_tags': 0, 'organization': {'id': '156e8074-ae7b-4094-83cb-afb3529824c4', 'name': 'massbank', 'title': 'MassBank', 'type': 'repository', 'description': 'MassBank is an open source mass spectral library for the identification of small chemical molecules of metabolomics, exposomics and environmental relevance.', 'image_url': '2022-04-25-134442.697545massbank.jpeg', 'created': '2022-04-25T15:44:42.707561', 'is_organization': True, 'approval_status': 'approved', 'state': 'active'}, 'owner_org': '156e8074-ae7b-4094-83cb-afb3529824c4', 'private': False, 'related_study': '[]', 'smiles': 'c1ccc2c(c1)[nH]c(=N)[nH]2', 'state': 'active', 'title': '2-Aminobenzimidazole', 'type': 'dataset', 'url': 'https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Athens_Univ-AU200305', 'extras': [{'key': 'metadata_created', 'value': '2024-01-11T09:51:02.457591'}, {'key': 'metadata_modified', 'value': '2024-01-11T09:51:02.611372'}], 'resources': [{'cache_last_updated': None, 'cache_url': None, 'created': '2024-01-11T09:51:02.459047', 'datastore_active': False, 'format': 'HTML', 'hash': '', 'id': '86fb1ec8-02fc-4397-ad3e-da9d59d810c3', 'last_modified': None, 'metadata_modified': '2024-01-11T09:51:02.617404', 'mimetype': None, 'mimetype_inner': None, 'name': '2-Aminobenzimidazole', 'package_id': 'msbnk-athens_univ-au200305', 'position': 0, 'resource_type': 'HTML', 'size': None, 'state': 'active', 'url': 'https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Athens_Univ-AU200305', 'url_type': None}], 'tags': [], 'groups': [], 'relationships_as_subject': [], 'relationships_as_object': []}, {'author_email': None, 'creator_user_id': '1be646ae-ab26-47b8-8835-e4b27f11961e', 'exactmass': '232.1575633', 'id': 'msbnk-athens_univ-au155203', 'inchi': 'InChI=1S/C14H20N2O/c1-2-14(17)16(12-6-4-3-5-7-12)13-8-10-15-11-9-13/h3-7,13,15H,2,8-11H2,1H3', 'inchi_key': 'PMCBDBWCQQBSRJ-UHFFFAOYSA-N', 'isopen': False, 'license_id': 'CC BY-SA 4.0', 'license_title': 'Attribution-ShareAlike 4.0 International (CC BY-SA 4.0)', 'license_url': 'https://creativecommons.org/licenses/by-sa/4.0', 'maintainer_email': None, 'measurement_technique': 'liquid chromatography-mass spectrometry', 'measurement_technique_iri': 'http://purl.obolibrary.org/obo/CHMO_0000524', 'metadata_created': '2024-01-11T10:08:25.470472', 'metadata_modified': '2025-02-08T19:04:05.323017', 'metadata_published': '2015-12-07', 'mol_formula': 'C14H20N2O', 'name': 'msbnk-athens_univ-au155203', 'notes': 'This MassBank record with Accession MSBNK-Athens_Univ-AU155203 contains the MS2 mass spectrum of Norfentanyl with the InChIkey PMCBDBWCQQBSRJ-UHFFFAOYSA-N.', 'num_resources': 1, 'num_tags': 0, 'organization': {'id': '156e8074-ae7b-4094-83cb-afb3529824c4', 'name': 'massbank', 'title': 'MassBank', 'type': 'repository', 'description': 'MassBank is an open source mass spectral library for the identification of small chemical molecules of metabolomics, exposomics and environmental relevance.', 'image_url': '2022-04-25-134442.697545massbank.jpeg', 'created': '2022-04-25T15:44:42.707561', 'is_organization': True, 'approval_status': 'approved', 'state': 'active'}, 'owner_org': '156e8074-ae7b-4094-83cb-afb3529824c4', 'private': False, 'related_study': '[]', 'smiles': 'CCC(=O)N(c1ccccc1)C2CCNCC2', 'state': 'active', 'title': 'Norfentanyl', 'type': 'dataset', 'url': 'https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Athens_Univ-AU155203', 'extras': [{'key': 'license_url', 'value': 'https://creativecommons.org/licenses/by-sa/4.0'}, {'key': 'metadata_created', 'value': '2024-01-11T10:08:25.470472'}, {'key': 'metadata_modified', 'value': '2024-01-11T10:08:25.626722'}], 'resources': [{'cache_last_updated': None, 'cache_url': None, 'created': '2024-01-11T10:08:25.471784', 'datastore_active': False, 'format': 'HTML', 'hash': '', 'id': '2d8f91d1-6b16-4ee6-a75e-f2b4d508154b', 'last_modified': None, 'metadata_modified': '2024-01-11T10:08:25.633161', 'mimetype': None, 'mimetype_inner': None, 'name': 'Norfentanyl', 'package_id': 'msbnk-athens_univ-au155203', 'position': 0, 'resource_type': 'HTML', 'size': None, 'state': 'active', 'url': 'https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Athens_Univ-AU155203', 'url_type': None}], 'tags': [], 'groups': [], 'relationships_as_subject': [], 'relationships_as_object': []}, {'author_email': None, 'creator_user_id': '1be646ae-ab26-47b8-8835-e4b27f11961e', 'exactmass': '211.0512396', 'id': 'msbnk-athens_univ-au204901', 'inchi': 'InChI=1S/C9H10ClN3O/c10-8-2-1-7(5-12-8)6-13-4-3-11-9(13)14/h1-2,5H,3-4,6H2,(H,11,14)', 'inchi_key': 'ADWTYURAFSWNSU-UHFFFAOYSA-N', 'isopen': False, 'license_id': 'CC BY-SA 4.0', 'license_title': 'Attribution-ShareAlike 4.0 International (CC BY-SA 4.0)', 'license_url': 'https://creativecommons.org/licenses/by-sa/4.0', 'maintainer_email': None, 'measurement_technique': 'liquid chromatography-mass spectrometry', 'measurement_technique_iri': 'http://purl.obolibrary.org/obo/CHMO_0000524', 'metadata_created': '2024-01-11T10:04:56.579854', 'metadata_modified': '2025-02-08T19:04:05.009232', 'metadata_published': '2015-12-05', 'mol_formula': 'C9H10ClN3O', 'name': 'msbnk-athens_univ-au204901', 'notes': 'This MassBank record with Accession MSBNK-Athens_Univ-AU204901 contains the MS2 mass spectrum of Imidacloprid-urea with the InChIkey ADWTYURAFSWNSU-UHFFFAOYSA-N.', 'num_resources': 1, 'num_tags': 0, 'organization': {'id': '156e8074-ae7b-4094-83cb-afb3529824c4', 'name': 'massbank', 'title': 'MassBank', 'type': 'repository', 'description': 'MassBank is an open source mass spectral library for the identification of small chemical molecules of metabolomics, exposomics and environmental relevance.', 'image_url': '2022-04-25-134442.697545massbank.jpeg', 'created': '2022-04-25T15:44:42.707561', 'is_organization': True, 'approval_status': 'approved', 'state': 'active'}, 'owner_org': '156e8074-ae7b-4094-83cb-afb3529824c4', 'private': False, 'related_study': '[]', 'smiles': 'c1cc(ncc1CN2CCN=C2O)Cl', 'state': 'active', 'title': 'Imidacloprid-urea', 'type': 'dataset', 'url': 'https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Athens_Univ-AU204901', 'extras': [{'key': 'license_url', 'value': 'https://creativecommons.org/licenses/by-sa/4.0'}, {'key': 'metadata_created', 'value': '2024-01-11T10:04:56.579854'}, {'key': 'metadata_modified', 'value': '2024-01-11T10:04:56.726247'}], 'resources': [{'cache_last_updated': None, 'cache_url': None, 'created': '2024-01-11T10:04:56.581201', 'datastore_active': False, 'format': 'HTML', 'hash': '', 'id': 'cf32c3a2-f3b1-4b7e-8058-72f98f0f7255', 'last_modified': None, 'metadata_modified': '2024-01-11T10:04:56.732115', 'mimetype': None, 'mimetype_inner': None, 'name': 'Imidacloprid-urea', 'package_id': 'msbnk-athens_univ-au204901', 'position': 0, 'resource_type': 'HTML', 'size': None, 'state': 'active', 'url': 'https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Athens_Univ-AU204901', 'url_type': None}], 'tags': [], 'groups': [], 'relationships_as_subject': [], 'relationships_as_object': []}, {'author_email': None, 'creator_user_id': '1be646ae-ab26-47b8-8835-e4b27f11961e', 'exactmass': '201.0781231', 'id': 'msbnk-athens_univ-au314102', 'inchi': 'InChI=1S/C7H12ClN5/c1-3-9-6-11-5(8)12-7(13-6)10-4-2/h3-4H2,1-2H3,(H2,9,10,11,12,13)', 'inchi_key': 'ODCWYMIRDDJXKW-UHFFFAOYSA-N', 'isopen': False, 'license_id': 'CC BY-SA 4.0', 'license_title': 'Attribution-ShareAlike 4.0 International (CC BY-SA 4.0)', 'license_url': 'https://creativecommons.org/licenses/by-sa/4.0', 'maintainer_email': None, 'measurement_technique': 'liquid chromatography-mass spectrometry', 'measurement_technique_iri': 'http://purl.obolibrary.org/obo/CHMO_0000524', 'metadata_created': '2024-01-11T09:41:29.838153', 'metadata_modified': '2025-02-08T19:04:04.626050', 'metadata_published': '2015-12-08', 'mol_formula': 'C7H12ClN5', 'name': 'msbnk-athens_univ-au314102', 'notes': 'This MassBank record with Accession MSBNK-Athens_Univ-AU314102 contains the MS2 mass spectrum of Simazine with the InChIkey ODCWYMIRDDJXKW-UHFFFAOYSA-N.', 'num_resources': 1, 'num_tags': 0, 'organization': {'id': '156e8074-ae7b-4094-83cb-afb3529824c4', 'name': 'massbank', 'title': 'MassBank', 'type': 'repository', 'description': 'MassBank is an open source mass spectral library for the identification of small chemical molecules of metabolomics, exposomics and environmental relevance.', 'image_url': '2022-04-25-134442.697545massbank.jpeg', 'created': '2022-04-25T15:44:42.707561', 'is_organization': True, 'approval_status': 'approved', 'state': 'active'}, 'owner_org': '156e8074-ae7b-4094-83cb-afb3529824c4', 'private': False, 'related_study': '[]', 'smiles': 'CCNC1=NC(NCC)=NC(Cl)=N1', 'state': 'active', 'title': 'Simazine', 'type': 'dataset', 'url': 'https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Athens_Univ-AU314102', 'extras': [{'key': 'license_url', 'value': 'https://creativecommons.org/licenses/by-sa/4.0'}, {'key': 'metadata_created', 'value': '2024-01-11T09:41:29.838153'}, {'key': 'metadata_modified', 'value': '2024-01-11T09:41:29.983435'}], 'resources': [{'cache_last_updated': None, 'cache_url': None, 'created': '2024-01-11T09:41:29.839797', 'datastore_active': False, 'format': 'HTML', 'hash': '', 'id': 'b69947b0-f795-413b-8419-ca6a5a9d98d5', 'last_modified': None, 'metadata_modified': '2024-01-11T09:41:29.988964', 'mimetype': None, 'mimetype_inner': None, 'name': 'Simazine', 'package_id': 'msbnk-athens_univ-au314102', 'position': 0, 'resource_type': 'HTML', 'size': None, 'state': 'active', 'url': 'https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Athens_Univ-AU314102', 'url_type': None}], 'tags': [], 'groups': [], 'relationships_as_subject': [], 'relationships_as_object': []}, {'author_email': None, 'creator_user_id': '1be646ae-ab26-47b8-8835-e4b27f11961e', 'exactmass': '268.1575633', 'id': 'msbnk-athens_univ-au229105', 'inchi': 'InChI=1S/C17H20N2O/c1-18(2)15-9-5-13(6-10-15)17(20)14-7-11-16(12-8-14)19(3)4/h5-12H,1-4H3', 'inchi_key': 'VVBLNCFGVYUYGU-UHFFFAOYSA-N', 'isopen': False, 'license_id': 'CC-BY-4.0', 'license_title': 'Attribution 4.0 International (CC BY 4.0)', 'license_url': 'https://creativecommons.org/licenses/by/4.0', 'maintainer_email': None, 'measurement_technique': 'liquid chromatography-mass spectrometry', 'measurement_technique_iri': 'http://purl.obolibrary.org/obo/CHMO_0000524', 'metadata_created': '2024-01-11T08:49:46.793482', 'metadata_modified': '2025-02-08T19:04:04.302020', 'metadata_published': '2019-04-05', 'mol_formula': 'C17H20N2O', 'name': 'msbnk-athens_univ-au229105', 'notes': 'This MassBank record with Accession MSBNK-Athens_Univ-AU229105 contains the MS2 mass spectrum of Michler`s ketone with the InChIkey VVBLNCFGVYUYGU-UHFFFAOYSA-N.', 'num_resources': 1, 'num_tags': 0, 'organization': {'id': '156e8074-ae7b-4094-83cb-afb3529824c4', 'name': 'massbank', 'title': 'MassBank', 'type': 'repository', 'description': 'MassBank is an open source mass spectral library for the identification of small chemical molecules of metabolomics, exposomics and environmental relevance.', 'image_url': '2022-04-25-134442.697545massbank.jpeg', 'created': '2022-04-25T15:44:42.707561', 'is_organization': True, 'approval_status': 'approved', 'state': 'active'}, 'owner_org': '156e8074-ae7b-4094-83cb-afb3529824c4', 'private': False, 'related_study': '[]', 'smiles': 'CN(C)C1=CC=C(C=C1)C(=O)C1=CC=C(C=C1)N(C)C', 'state': 'active', 'title': 'Michler`s ketone', 'type': 'dataset', 'url': 'https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Athens_Univ-AU229105', 'extras': [{'key': 'metadata_created', 'value': '2024-01-11T08:49:46.793482'}, {'key': 'metadata_modified', 'value': '2024-01-11T10:14:46.442200'}], 'resources': [{'cache_last_updated': None, 'cache_url': None, 'created': '2024-01-11T08:49:46.796324', 'datastore_active': False, 'format': 'HTML', 'hash': '', 'id': '4f5eb582-1254-4e3e-b55e-a4b92f811806', 'last_modified': None, 'metadata_modified': '2024-01-11T08:49:46.965090', 'mimetype': None, 'mimetype_inner': None, 'name': 'Michler`s ketone', 'package_id': 'msbnk-athens_univ-au229105', 'position': 0, 'resource_type': 'HTML', 'size': None, 'state': 'active', 'url': 'https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Athens_Univ-AU229105', 'url_type': None}], 'tags': [], 'groups': [], 'relationships_as_subject': [], 'relationships_as_object': []}, {'author_email': None, 'creator_user_id': '1be646ae-ab26-47b8-8835-e4b27f11961e', 'exactmass': '381.0758823', 'id': 'msbnk-athens_univ-au235659', 'inchi': 'InChI=1S/C17H14F3N3O2S/c1-11-2-4-12(5-3-11)15-10-16(17(18,19)20)22-23(15)13-6-8-14(9-7-13)26(21,24)25/h2-10H,1H3,(H2,21,24,25)', 'inchi_key': 'RZEKVGVHFLEQIL-UHFFFAOYSA-N', 'isopen': False, 'license_id': 'CC-BY-4.0', 'license_title': 'Attribution 4.0 International (CC BY 4.0)', 'license_url': 'https://creativecommons.org/licenses/by/4.0', 'maintainer_email': None, 'measurement_technique': 'liquid chromatography-mass spectrometry', 'measurement_technique_iri': 'http://purl.obolibrary.org/obo/CHMO_0000524', 'metadata_created': '2024-01-11T10:07:11.942101', 'metadata_modified': '2025-02-08T19:04:04.018704', 'metadata_published': '2019-03-29', 'mol_formula': 'C17H14F3N3O2S', 'name': 'msbnk-athens_univ-au235659', 'notes': 'This MassBank record with Accession MSBNK-Athens_Univ-AU235659 contains the MS2 mass spectrum of Celecoxib with the InChIkey RZEKVGVHFLEQIL-UHFFFAOYSA-N.', 'num_resources': 1, 'num_tags': 0, 'organization': {'id': '156e8074-ae7b-4094-83cb-afb3529824c4', 'name': 'massbank', 'title': 'MassBank', 'type': 'repository', 'description': 'MassBank is an open source mass spectral library for the identification of small chemical molecules of metabolomics, exposomics and environmental relevance.', 'image_url': '2022-04-25-134442.697545massbank.jpeg', 'created': '2022-04-25T15:44:42.707561', 'is_organization': True, 'approval_status': 'approved', 'state': 'active'}, 'owner_org': '156e8074-ae7b-4094-83cb-afb3529824c4', 'private': False, 'related_study': '[]', 'smiles': 'CC1=CC=C(C=C1)C1=CC(=NN1C1=CC=C(C=C1)S(N)(=O)=O)C(F)(F)F', 'state': 'active', 'title': 'Celecoxib', 'type': 'dataset', 'url': 'https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Athens_Univ-AU235659', 'extras': [{'key': 'metadata_created', 'value': '2024-01-11T10:07:11.942101'}, {'key': 'metadata_modified', 'value': '2024-01-11T10:07:12.076072'}], 'resources': [{'cache_last_updated': None, 'cache_url': None, 'created': '2024-01-11T10:07:11.943415', 'datastore_active': False, 'format': 'HTML', 'hash': '', 'id': '75c2a3d6-03ad-46da-bcf5-1cc24b181508', 'last_modified': None, 'metadata_modified': '2024-01-11T10:07:12.082232', 'mimetype': None, 'mimetype_inner': None, 'name': 'Celecoxib', 'package_id': 'msbnk-athens_univ-au235659', 'position': 0, 'resource_type': 'HTML', 'size': None, 'state': 'active', 'url': 'https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Athens_Univ-AU235659', 'url_type': None}], 'tags': [], 'groups': [], 'relationships_as_subject': [], 'relationships_as_object': []}], 'sort': 'score desc, metadata_modified desc', 'search_facets': {'organization': {'title': 'organization', 'items': [{'name': 'massbank', 'display_name': 'MassBank', 'count': 122512}]}, 'tags': {'title': 'tags', 'items': [{'name': 'liquid-chromatography-mass-spectrometry', 'display_name': 'liquid-chromatography-mass-spectrometry', 'count': 24}]}, 'res_format': {'title': 'res_format', 'items': [{'name': 'HTML', 'display_name': 'HTML', 'count': 122512}]}, 'license_id': {'title': 'license_id', 'items': [{'name': 'notspecified', 'display_name': 'License Not Specified', 'count': 1}, {'name': 'CC BY-SA 4.0', 'display_name': 'Attribution-ShareAlike 4.0 International (CC BY-SA 4.0)', 'count': 16619}, {'name': 'CC-BY-NC-SA-4.0', 'display_name': 'Attribution-NonCommercial-ShareAlike 4.0 International (CC BY-NC-SA 4.0)', 'count': 32337}, {'name': 'CC BY-NC 4.0', 'display_name': 'Attribution-NonCommercial 4.0 International (CC BY-NC 4.0)', 'count': 8432}, {'name': 'CC-BY-4.0', 'display_name': 'Attribution 4.0 International (CC BY 4.0)', 'count': 38172}]}}}, 'search_params': None} |
| ungettext |
<function ungettext at 0x7f0d1e2eb1e0> |
