Changes

              
    

          
          
        
        

            
f
1
{
f
1
{
            
2
  "author": "Simon, Carsten",
2
  "author": "Simon, Carsten",
            
3
  "author_email": "",
3
  "author_email": "",
            
4
  "citation": [],
4
  "citation": [],
            
5
  "creator_user_id": "17755db4-395a-4b3b-ac09-e8e3484ca700",
5
  "creator_user_id": "17755db4-395a-4b3b-ac09-e8e3484ca700",
            
6
  "doi": "10.1594/PANGAEA.932592",
6
  "doi": "10.1594/PANGAEA.932592",
            
7
  "doi_date_published": "2021",
7
  "doi_date_published": "2021",
            
8
  "doi_publisher": "",
8
  "doi_publisher": "",
            
9
  "doi_status": "True",
9
  "doi_status": "True",
            
10
  "extra_authors": [
10
  "extra_authors": [
            
11
    {
11
    {
            
12
      "extra_author": "Petras, Daniel",
12
      "extra_author": "Petras, Daniel",
            
13
      "familyName": "Petras",
13
      "familyName": "Petras",
            
14
      "givenName": "Daniel",
14
      "givenName": "Daniel",
            
15
      "orcid": "0000-0002-6561-3022"
15
      "orcid": "0000-0002-6561-3022"
            
16
    },
16
    },
            
17
    {
17
    {
            
18
      "extra_author": "Roth, Vanessa-Nina",
18
      "extra_author": "Roth, Vanessa-Nina",
            
19
      "familyName": "Roth",
19
      "familyName": "Roth",
            
20
      "givenName": "Vanessa-Nina",
20
      "givenName": "Vanessa-Nina",
            
21
      "orcid": ""
21
      "orcid": ""
            
22
    },
22
    },
            
23
    {
23
    {
            
24
      "extra_author": "D\u00fchrkop, Kai",
24
      "extra_author": "D\u00fchrkop, Kai",
            
25
      "familyName": "D\u00fchrkop",
25
      "familyName": "D\u00fchrkop",
            
26
      "givenName": "Kai",
26
      "givenName": "Kai",
            
27
      "orcid": "0000-0002-9056-0540"
27
      "orcid": "0000-0002-9056-0540"
            
28
    },
28
    },
            
29
    {
29
    {
            
30
      "extra_author": "B\u00f6cker, Sebastian",
30
      "extra_author": "B\u00f6cker, Sebastian",
            
31
      "familyName": "B\u00f6cker",
31
      "familyName": "B\u00f6cker",
            
32
      "givenName": "Sebastian",
32
      "givenName": "Sebastian",
            
33
      "orcid": "0000-0002-9304-8091"
33
      "orcid": "0000-0002-9304-8091"
            
34
    },
34
    },
            
35
    {
35
    {
            
36
      "extra_author": "Dorrestein, Pieter C",
36
      "extra_author": "Dorrestein, Pieter C",
            
37
      "familyName": "Dorrestein",
37
      "familyName": "Dorrestein",
            
38
      "givenName": "Pieter C",
38
      "givenName": "Pieter C",
            
39
      "orcid": ""
39
      "orcid": ""
            
40
    },
40
    },
            
41
    {
41
    {
            
42
      "extra_author": "Gleixner, Gerd",
42
      "extra_author": "Gleixner, Gerd",
            
43
      "familyName": "Gleixner",
43
      "familyName": "Gleixner",
            
44
      "givenName": "Gerd",
44
      "givenName": "Gerd",
            
45
      "orcid": "0000-0002-4616-0953"
45
      "orcid": "0000-0002-4616-0953"
            
46
    }
46
    }
            
47
  ],
47
  ],
            
48
  "familyName": "Simon",
48
  "familyName": "Simon",
            
49
  "givenName": "Carsten",
49
  "givenName": "Carsten",
            
50
  "groups": [],
50
  "groups": [],
            
51
  "id": "73dca423-fccb-4cc5-9848-b75af411fa76",
51
  "id": "73dca423-fccb-4cc5-9848-b75af411fa76",
            
52
  "isopen": false,
52
  "isopen": false,
            
53
  "license_id": "UNKNOWN",
53
  "license_id": "UNKNOWN",
            
54
  "license_title": "UNKNOWN",
54
  "license_title": "UNKNOWN",
            
55
  "metadata_created": "2024-11-29T10:22:17.656932",
55
  "metadata_created": "2024-11-29T10:22:17.656932",
            
n
56
  "metadata_modified": "2024-11-29T10:22:17.656937",
n
56
  "metadata_modified": "2024-11-30T10:47:33.727761",
            
57
  "name": "png-doi-10-1594-pangaea-932592",
57
  "name": "png-doi-10-1594-pangaea-932592",
            
58
  "notes": "Ultrahigh-resolution Fourier transform tandem mass 
58
  "notes": "Ultrahigh-resolution Fourier transform tandem mass 
            
59
spectrometry was employed to reveal novel structural detail of the 
59
spectrometry was employed to reveal novel structural detail of the 
            
60
natural complex mixture dissolved organic matter (DOM) that is found 
60
natural complex mixture dissolved organic matter (DOM) that is found 
            
61
ubiquitously in soils and rivers. We developed and evaluated a novel 
61
ubiquitously in soils and rivers. We developed and evaluated a novel 
            
62
approach to decipher the structural detail that is encrypted in DOM. A 
62
approach to decipher the structural detail that is encrypted in DOM. A 
            
63
DOM sample from a spruce forest (Wetzstein, Germany, 50\u00b0 27' 13\" 
63
DOM sample from a spruce forest (Wetzstein, Germany, 50\u00b0 27' 13\" 
            
64
N; 11\u00b0 27' 27\" E; 785 meter above sea level) was used as a 
64
N; 11\u00b0 27' 27\" E; 785 meter above sea level) was used as a 
            
65
representative biodegraded DOM mixture of high complexity and measured 
65
representative biodegraded DOM mixture of high complexity and measured 
            
66
by direct-injection tandem mass spectrometry (DI-ESI-Orbitrap-MS/MS). 
66
by direct-injection tandem mass spectrometry (DI-ESI-Orbitrap-MS/MS). 
            
67
The unknowns in DOM were then compared with indicative tandem MS 
67
The unknowns in DOM were then compared with indicative tandem MS 
            
68
features (mass differences, \"\u0394m\" features) from known standard 
68
features (mass differences, \"\u0394m\" features) from known standard 
            
69
compounds (14 phenolic standard substances measured in parallel, and 
69
compounds (14 phenolic standard substances measured in parallel, and 
            
70
11280 library mass spectra available from the java-based software 
70
11280 library mass spectra available from the java-based software 
            
71
framework SIRIUS) and natural product and in-silico structure 
71
framework SIRIUS) and natural product and in-silico structure 
            
72
suggestions. The dataset consists of six subsets (Data Set ds01 - 
72
suggestions. The dataset consists of six subsets (Data Set ds01 - 
            
73
ds06), all of which are xlsx files.",
73
ds06), all of which are xlsx files.",
            
74
  "num_resources": 0,
74
  "num_resources": 0,
            
75
  "num_tags": 11,
75
  "num_tags": 11,
            
76
  "orcid": "0000-0003-3882-3013",
76
  "orcid": "0000-0003-3882-3013",
            
77
  "organization": {
77
  "organization": {
            
78
    "approval_status": "approved",
78
    "approval_status": "approved",
            
n
79
    "created": "2024-11-29T10:21:52.225973",
n
79
    "created": "2024-11-30T10:25:26.439072",
            
80
    "description": "PANGAEA (Data Publisher for Earth & Environmental 
80
    "description": "PANGAEA (Data Publisher for Earth & Environmental 
            
81
Science): The information system PANGAEA is operated as an Open Access 
81
Science): The information system PANGAEA is operated as an Open Access 
            
82
library aimed at archiving, publishing and distributing georeferenced 
82
library aimed at archiving, publishing and distributing georeferenced 
            
83
data from earth system research. PANGAEA guarantees long-term 
83
data from earth system research. PANGAEA guarantees long-term 
            
84
availability (greater than 10 years) of its content. PANGAEA is open 
84
availability (greater than 10 years) of its content. PANGAEA is open 
            
85
to any project, institution, or individual scientist to use or to 
85
to any project, institution, or individual scientist to use or to 
            
86
archive and publish data. PANGAEA focuses on georeferenced 
86
archive and publish data. PANGAEA focuses on georeferenced 
            
87
observational data, experimental data, and models/simulations. 
87
observational data, experimental data, and models/simulations. 
            
88
Citability, comprehensive metadata descriptions, interoperability of 
88
Citability, comprehensive metadata descriptions, interoperability of 
            
89
data and metadata, a high degree of structural and semantic 
89
data and metadata, a high degree of structural and semantic 
            
90
harmonization of the data inventory as well as the commitment of the 
90
harmonization of the data inventory as well as the commitment of the 
            
91
hosting institutions ensures FAIRness of archived data.",
91
hosting institutions ensures FAIRness of archived data.",
            
n
92
    "id": "1546f0f6-2ca4-478b-b5d4-2711da0b3777",
n
92
    "id": "c2816fc6-b5ce-42c9-b5a4-11709b658b82",
            
93
    "image_url": "pangaea_topichumandimensions.png",
93
    "image_url": "pangaea_topicecology.png",
            
94
    "is_organization": true,
94
    "is_organization": true,
            
n
95
    "name": "pangaea_humandimensions",
n
95
    "name": "pangaea_ecology",
            
96
    "state": "active",
96
    "state": "active",
            
n
97
    "title": "PANGAEA (Human Dimensions)",
n
97
    "title": "PANGAEA (Ecology)",
            
98
    "type": "organization"
98
    "type": "organization"
            
99
  },
99
  },
            
n
100
  "owner_org": "1546f0f6-2ca4-478b-b5d4-2711da0b3777",
n
100
  "owner_org": "c2816fc6-b5ce-42c9-b5a4-11709b658b82",
            
101
  "private": false,
101
  "private": false,
            
102
  "publication_year": "2021",
102
  "publication_year": "2021",
            
103
  "related_identifiers": [
103
  "related_identifiers": [
            
104
    {
104
    {
            
105
      "authors": "Simon Carsten,D\u00fchrkop Kai,Petras Daniel,Roth 
105
      "authors": "Simon Carsten,D\u00fchrkop Kai,Petras Daniel,Roth 
            
106
Vanessa-Nina,B\u00f6cker Sebastian,Dorrestein Pieter C,Gleixner 
106
Vanessa-Nina,B\u00f6cker Sebastian,Dorrestein Pieter C,Gleixner 
            
107
Gerd,Simon Carsten,D\u00fchrkop Kai,Petras Daniel,Roth 
107
Gerd,Simon Carsten,D\u00fchrkop Kai,Petras Daniel,Roth 
            
108
Vanessa-Nina,B\u00f6cker Sebastian,Dorrestein Pieter C,Gleixner Gerd",
108
Vanessa-Nina,B\u00f6cker Sebastian,Dorrestein Pieter C,Gleixner Gerd",
            
109
      "email_authors": ",,,,,,,,,,,,,",
109
      "email_authors": ",,,,,,,,,,,,,",
            
110
      "identifier": "https://doi.org/10.1594/PANGAEA.944673",
110
      "identifier": "https://doi.org/10.1594/PANGAEA.944673",
            
111
      "identifier_type": "DOI",
111
      "identifier_type": "DOI",
            
112
      "orcid_authors": 
112
      "orcid_authors": 
            
113
6-0540,0000-0002-6561-3022,,0000-0002-9304-8091,,0000-0002-4616-0953",
113
6-0540,0000-0002-6561-3022,,0000-0002-9304-8091,,0000-0002-4616-0953",
            
114
      "relation_type": "References",
114
      "relation_type": "References",
            
115
      "source": "",
115
      "source": "",
            
116
      "title": "Structural insight into conifer forest topsoil and 
116
      "title": "Structural insight into conifer forest topsoil and 
            
117
blackwater dissolved organic matter by Orbitrap tandem MS mass 
117
blackwater dissolved organic matter by Orbitrap tandem MS mass 
            
118
difference matching",
118
difference matching",
            
119
      "year": "2022"
119
      "year": "2022"
            
120
    },
120
    },
            
121
    {
121
    {
            
122
      "authors": "Simon Carsten,D\u00fchrkop Kai,Petras Daniel,Roth 
122
      "authors": "Simon Carsten,D\u00fchrkop Kai,Petras Daniel,Roth 
            
123
Vanessa-Nina,B\u00f6cker Sebastian,Dorrestein Pieter C,Gleixner 
123
Vanessa-Nina,B\u00f6cker Sebastian,Dorrestein Pieter C,Gleixner 
            
124
Gerd,Simon Carsten,D\u00fchrkop Kai,Petras Daniel,Roth 
124
Gerd,Simon Carsten,D\u00fchrkop Kai,Petras Daniel,Roth 
            
125
Vanessa-Nina,B\u00f6cker Sebastian,Dorrestein Pieter C,Gleixner Gerd",
125
Vanessa-Nina,B\u00f6cker Sebastian,Dorrestein Pieter C,Gleixner Gerd",
            
126
      "email_authors": ",,,,,,,,,,,,,",
126
      "email_authors": ",,,,,,,,,,,,,",
            
127
      "identifier": "https://doi.org/10.1021/acs.est.2c01332",
127
      "identifier": "https://doi.org/10.1021/acs.est.2c01332",
            
128
      "identifier_type": "DOI",
128
      "identifier_type": "DOI",
            
129
      "orcid_authors": 
129
      "orcid_authors": 
            
130
6-0540,0000-0002-6561-3022,,0000-0002-9304-8091,,0000-0002-4616-0953",
130
6-0540,0000-0002-6561-3022,,0000-0002-9304-8091,,0000-0002-4616-0953",
            
131
      "relation_type": "References",
131
      "relation_type": "References",
            
132
      "source": "Environmental Science & Technology",
132
      "source": "Environmental Science & Technology",
            
133
      "title": "Mass Difference Matching Unfolds Hidden Molecular 
133
      "title": "Mass Difference Matching Unfolds Hidden Molecular 
            
134
Structures of Dissolved Organic Matter",
134
Structures of Dissolved Organic Matter",
            
135
      "year": "2022"
135
      "year": "2022"
            
136
    }
136
    }
            
137
  ],
137
  ],
            
138
  "relationships_as_object": [],
138
  "relationships_as_object": [],
            
139
  "relationships_as_subject": [],
139
  "relationships_as_subject": [],
            
140
  "repository_name": "PANGAEA (Data Publisher for Earth & 
140
  "repository_name": "PANGAEA (Data Publisher for Earth & 
            
141
Environmental Science)",
141
Environmental Science)",
            
142
  "resource_type": "text/tab-separated-values - filename: 
142
  "resource_type": "text/tab-separated-values - filename: 
            
143
Wetzstein_DOM-Simon_etal-2021",
143
Wetzstein_DOM-Simon_etal-2021",
            
144
  "resources": [],
144
  "resources": [],
            
145
  "source_metadata_created": "2021",
145
  "source_metadata_created": "2021",
            
146
  "source_metadata_modified": "",
146
  "source_metadata_modified": "",
            
147
  "state": "active",
147
  "state": "active",
            
148
  "subject_areas": [
148
  "subject_areas": [
            
149
    {
149
    {
            
150
      "subject_area_additional": "",
150
      "subject_area_additional": "",
            
151
      "subject_area_name": "Ecology"
151
      "subject_area_name": "Ecology"
            
152
    },
152
    },
            
153
    {
153
    {
            
154
      "subject_area_additional": "",
154
      "subject_area_additional": "",
            
155
      "subject_area_name": "HumanDimensions"
155
      "subject_area_name": "HumanDimensions"
            
156
    }
156
    }
            
157
  ],
157
  ],
            
158
  "tags": [
158
  "tags": [
            
159
    {
159
    {
            
160
      "display_name": "Chimerics",
160
      "display_name": "Chimerics",
            
161
      "id": "21e6c1f3-0f2f-4dff-8d8a-64257e389c1b",
161
      "id": "21e6c1f3-0f2f-4dff-8d8a-64257e389c1b",
            
162
      "name": "Chimerics",
162
      "name": "Chimerics",
            
163
      "state": "active",
163
      "state": "active",
            
164
      "vocabulary_id": null
164
      "vocabulary_id": null
            
165
    },
165
    },
            
166
    {
166
    {
            
167
      "display_name": "DOM",
167
      "display_name": "DOM",
            
168
      "id": "2a5a5b5f-44f4-4ea1-b709-b0729aeefd2b",
168
      "id": "2a5a5b5f-44f4-4ea1-b709-b0729aeefd2b",
            
169
      "name": "DOM",
169
      "name": "DOM",
            
170
      "state": "active",
170
      "state": "active",
            
171
      "vocabulary_id": null
171
      "vocabulary_id": null
            
172
    },
172
    },
            
173
    {
173
    {
            
174
      "display_name": "Dissolved Organic Matter",
174
      "display_name": "Dissolved Organic Matter",
            
175
      "id": "58b080c2-d3c5-4c70-a8df-d6a1ab3baf65",
175
      "id": "58b080c2-d3c5-4c70-a8df-d6a1ab3baf65",
            
176
      "name": "Dissolved Organic Matter",
176
      "name": "Dissolved Organic Matter",
            
177
      "state": "active",
177
      "state": "active",
            
178
      "vocabulary_id": null
178
      "vocabulary_id": null
            
179
    },
179
    },
            
180
    {
180
    {
            
181
      "display_name": "Identification",
181
      "display_name": "Identification",
            
182
      "id": "38c9d165-58c0-452b-8c01-fc5bf3e5992c",
182
      "id": "38c9d165-58c0-452b-8c01-fc5bf3e5992c",
            
183
      "name": "Identification",
183
      "name": "Identification",
            
184
      "state": "active",
184
      "state": "active",
            
185
      "vocabulary_id": null
185
      "vocabulary_id": null
            
186
    },
186
    },
            
187
    {
187
    {
            
t
188
      "display_name": "MS-MS",
t
188
      "display_name": "MS",
            
189
      "id": "872a4fa6-93f8-4809-a1f2-8ed1ca58de09",
189
      "id": "61ad3df7-5ad8-4e35-8e63-a2550719ab4d",
            
190
      "name": "MS-MS",
190
      "name": "MS",
            
191
      "state": "active",
191
      "state": "active",
            
192
      "vocabulary_id": null
192
      "vocabulary_id": null
            
193
    },
193
    },
            
194
    {
194
    {
            
195
      "display_name": "Orbitrap",
195
      "display_name": "Orbitrap",
            
196
      "id": "901520c5-3546-4499-82b4-706a29564f0a",
196
      "id": "901520c5-3546-4499-82b4-706a29564f0a",
            
197
      "name": "Orbitrap",
197
      "name": "Orbitrap",
            
198
      "state": "active",
198
      "state": "active",
            
199
      "vocabulary_id": null
199
      "vocabulary_id": null
            
200
    },
200
    },
            
201
    {
201
    {
            
202
      "display_name": "SOM",
202
      "display_name": "SOM",
            
203
      "id": "58183482-29a8-4134-9981-a6a97d5179a1",
203
      "id": "58183482-29a8-4134-9981-a6a97d5179a1",
            
204
      "name": "SOM",
204
      "name": "SOM",
            
205
      "state": "active",
205
      "state": "active",
            
206
      "vocabulary_id": null
206
      "vocabulary_id": null
            
207
    },
207
    },
            
208
    {
208
    {
            
209
      "display_name": "Structure",
209
      "display_name": "Structure",
            
210
      "id": "5aeac006-b1dd-4437-9d78-4065bb131c8c",
210
      "id": "5aeac006-b1dd-4437-9d78-4065bb131c8c",
            
211
      "name": "Structure",
211
      "name": "Structure",
            
212
      "state": "active",
212
      "state": "active",
            
213
      "vocabulary_id": null
213
      "vocabulary_id": null
            
214
    },
214
    },
            
215
    {
215
    {
            
216
      "display_name": "Tandem mass spectrometry",
216
      "display_name": "Tandem mass spectrometry",
            
217
      "id": "0d17c6c4-2362-47f6-80e0-a251dc5247d0",
217
      "id": "0d17c6c4-2362-47f6-80e0-a251dc5247d0",
            
218
      "name": "Tandem mass spectrometry",
218
      "name": "Tandem mass spectrometry",
            
219
      "state": "active",
219
      "state": "active",
            
220
      "vocabulary_id": null
220
      "vocabulary_id": null
            
221
    },
221
    },
            
222
    {
222
    {
            
223
      "display_name": "deconvolution",
223
      "display_name": "deconvolution",
            
224
      "id": "75d35512-e558-46d2-9601-88e8abdb2b8e",
224
      "id": "75d35512-e558-46d2-9601-88e8abdb2b8e",
            
225
      "name": "deconvolution",
225
      "name": "deconvolution",
            
226
      "state": "active",
226
      "state": "active",
            
227
      "vocabulary_id": null
227
      "vocabulary_id": null
            
228
    },
228
    },
            
229
    {
229
    {
            
230
      "display_name": "soil organic matter",
230
      "display_name": "soil organic matter",
            
231
      "id": "7fa91d77-2311-4143-97b2-7cfed20720a9",
231
      "id": "7fa91d77-2311-4143-97b2-7cfed20720a9",
            
232
      "name": "soil organic matter",
232
      "name": "soil organic matter",
            
233
      "state": "active",
233
      "state": "active",
            
234
      "vocabulary_id": null
234
      "vocabulary_id": null
            
235
    }
235
    }
            
236
  ],
236
  ],
            
237
  "title": "Structural insight into conifer forest topsoil dissolved 
237
  "title": "Structural insight into conifer forest topsoil dissolved 
            
238
organic matter (Wetzstein, Germany) by Orbitrap tandem MS mass 
238
organic matter (Wetzstein, Germany) by Orbitrap tandem MS mass 
            
239
difference matching",
239
difference matching",
            
240
  "type": "vdataset",
240
  "type": "vdataset",
            
241
  "url": "https://doi.org/10.1594/PANGAEA.932592"
241
  "url": "https://doi.org/10.1594/PANGAEA.932592"
            
242
}
242
}