Source:http://linkedlifedata.com/resource/pubmed/id/20623627
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| Predicate | Object |
|---|---|
| rdf:type | |
| lifeskim:mentions | |
| pubmed:issue |
7
|
| pubmed:dateCreated |
2010-7-14
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| pubmed:abstractText |
MassBank is the first public repository of mass spectra of small chemical compounds for life sciences (<3000 Da). The database contains 605 electron-ionization mass spectrometry (EI-MS), 137 fast atom bombardment MS and 9276 electrospray ionization (ESI)-MS(n) data of 2337 authentic compounds of metabolites, 11 545 EI-MS and 834 other-MS data of 10,286 volatile natural and synthetic compounds, and 3045 ESI-MS(2) data of 679 synthetic drugs contributed by 16 research groups (January 2010). ESI-MS(2) data were analyzed under nonstandardized, independent experimental conditions. MassBank is a distributed database. Each research group provides data from its own MassBank data servers distributed on the Internet. MassBank users can access either all of the MassBank data or a subset of the data by specifying one or more experimental conditions. In a spectral search to retrieve mass spectra similar to a query mass spectrum, the similarity score is calculated by a weighted cosine correlation in which weighting exponents on peak intensity and the mass-to-charge ratio are optimized to the ESI-MS(2) data. MassBank also provides a merged spectrum for each compound prepared by merging the analyzed ESI-MS(2) data on an identical compound under different collision-induced dissociation conditions. Data merging has significantly improved the precision of the identification of a chemical compound by 21-23% at a similarity score of 0.6. Thus, MassBank is useful for the identification of chemical compounds and the publication of experimental data.
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| pubmed:language |
eng
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| pubmed:journal | |
| pubmed:citationSubset |
IM
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| pubmed:chemical | |
| pubmed:status |
MEDLINE
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| pubmed:month |
Jul
|
| pubmed:issn |
1096-9888
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| pubmed:author |
pubmed-author:AkimotoNaoshigeN,
pubmed-author:AoshimaKenK,
pubmed-author:AraTakeshiT,
pubmed-author:AritaMasanoriM,
pubmed-author:FunatsuKimitoK,
pubmed-author:HiraiMasami YokotaMY,
pubmed-author:HoraiHisayukiH,
pubmed-author:IidaTakashiT,
pubmed-author:IkedaKazutakaK,
pubmed-author:IkedaTasukuT,
pubmed-author:KakazuYujiY,
pubmed-author:KanayaShigehikoS,
pubmed-author:KusanoMiyakoM,
pubmed-author:MaokaTakashiT,
pubmed-author:MatsudaFumioF,
pubmed-author:MatsuuraFumitoF,
pubmed-author:NakanishiHirokiH,
pubmed-author:NeumannSteffenS,
pubmed-author:NiheiYoshitoY,
pubmed-author:NishiokaTakaakiT,
pubmed-author:OdaYoshiyaY,
pubmed-author:OjimaYuyaY,
pubmed-author:SaitoKazukiK,
pubmed-author:SakuraiNozomuN,
pubmed-author:SawadaYujiY,
pubmed-author:ShibataDaisukeD,
pubmed-author:SogaTomoyoshiT,
pubmed-author:SuwaKazuhiroK,
pubmed-author:SuzukiHideyukiH,
pubmed-author:TaguchiRyoR,
pubmed-author:TakahashiHirokiH,
pubmed-author:TanakaKenK,
pubmed-author:TanakaKenichiK,
pubmed-author:TanakaSatoshiS,
pubmed-author:TohgeTakayukiT
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| pubmed:copyrightInfo |
2010 John Wiley & Sons, Ltd.
|
| pubmed:issnType |
Electronic
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| pubmed:volume |
45
|
| pubmed:owner |
NLM
|
| pubmed:authorsComplete |
Y
|
| pubmed:pagination |
703-14
|
| pubmed:meshHeading | |
| pubmed:year |
2010
|
| pubmed:articleTitle |
MassBank: a public repository for sharing mass spectral data for life sciences.
|
| pubmed:affiliation |
Institute for Advanced Biosciences, Keio University, Tsuruoka, Yamagata 997-0035, Japan.
|
| pubmed:publicationType |
Journal Article,
Research Support, Non-U.S. Gov't
|