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New tool to Query multiple public repositories for elemental compositions from accurate mass values detected by high-resolution mass spectrometers
author pieter.lukasse@wur.nl
date Thu, 03 Apr 2014 16:50:45 +0200
parents 19d8fd10248e
children 7ebc61adb47e
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23:85fd05d0d16c 24:385d21a8d0a0
17 ======= 17 =======
18 18
19 ============== ====================================================================== 19 ============== ======================================================================
20 Date Changes 20 Date Changes
21 -------------- ---------------------------------------------------------------------- 21 -------------- ----------------------------------------------------------------------
22 April 2014 * Added interface to ExactMassDB, Pep1000, KEGG, KNApSAcK, Flavonoid
23 Viewer, LipidMAPS, HMDB, PubChem, by using the service MFSearcher.
24 This enables users to query multiple public repositories for
25 elemental compositions from accurate mass values detected by
26 high-resolution mass spectrometers. NB: see also added
27 licensing info below.
22 March 2014 * Added interface to METEXP data store, including tool to fire 28 March 2014 * Added interface to METEXP data store, including tool to fire
23 queries in batch mode 29 queries in batch mode
24 * Improved quantification output files of MsClust, a.o. sorting 30 * Improved quantification output files of MsClust, a.o. sorting
25 mass list based on intensity (last two columns of quantification 31 mass list based on intensity (last two columns of quantification
26 files) 32 files)
71 Unless required by applicable law or agreed to in writing, software 77 Unless required by applicable law or agreed to in writing, software
72 distributed under the License is distributed on an "AS IS" BASIS, 78 distributed under the License is distributed on an "AS IS" BASIS,
73 WITHOUT WARRANTIES OR CONDITIONS OF ANY KIND, either express or implied. 79 WITHOUT WARRANTIES OR CONDITIONS OF ANY KIND, either express or implied.
74 See the License for the specific language governing permissions and 80 See the License for the specific language governing permissions and
75 limitations under the License. 81 limitations under the License.
76 82
83
84 License for third party services
85 ================================
86 MFSearcher service : http://webs2.kazusa.or.jp/mfsearcher/#090
87 In the MFSearcher system, the compound data provided by KEGG, Flavonoid Viewer, LIPID MAPS, HMDB and PubChem
88 were downloaded for academic purposes. The compound data of KNApSAcK is provided by Prof. Kanaya in
89 Nara Institute of Science and Technology (NAIST). The part of these data are utilized to construct the
90 specified databases for rapid mass searching in the MFSearcher system after re-calculating the molecular weights.
91 Please preserve the contracts of each original databases when utilizing the search results against these
92 databases by MFSearcher.
93
94 The searching system of MFSearcher, the ExactMassDB database, and the Pep1000 database by Kazusa DNA
95 Research Institute is licensed under a Creative Commons Attribution-NonCommercial 3.0 Unported License.