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{"id":334,"date":"2016-08-04T15:09:41","date_gmt":"2016-08-04T13:09:41","guid":{"rendered":"https:\/\/www.protpi.ch\/blog\/?p=334"},"modified":"2016-08-04T15:12:49","modified_gmt":"2016-08-04T13:12:49","slug":"mass-spectrum-simulator-in-prot-pi-version-2-2","status":"publish","type":"post","link":"https:\/\/www.protpi.ch\/blog\/news\/2016\/08\/mass-spectrum-simulator-in-prot-pi-version-2-2\/","title":{"rendered":"Mass spectrum simulator in Prot pi version 2.2"},"content":{"rendered":"<p>A new <a href=\"https:\/\/www.protpi.ch\/Calculator\/MassSpecSimulator\">mass spectrum simulator\u00a0<\/a>comes with the\u00a0current\u00a0version\u00a02.2 of\u00a0Prot pi. This simulator brings some weighty benefits such as to define the ion adduct, charge state and resolution. An awesome feature is the possibility to integrate <strong>multiple compounds<\/strong> in one mass spectrum. This gives amongst others the opportunity to simulate multiple charge state of a compound. In this example\u00a0the mass spectrum of a peptide with one to four proton adducts is simulated.<\/p>\n<figure id=\"attachment_336\" aria-describedby=\"caption-attachment-336\" style=\"width: 1024px\" class=\"wp-caption alignnone\"><img loading=\"lazy\" decoding=\"async\" class=\"wp-image-336 size-large\" src=\"https:\/\/www.protpi.ch\/blog\/wp-content\/uploads\/2016\/08\/MassSpectrum-1024x721.png\" alt=\"Mass Spectrum\" width=\"1024\" height=\"721\" srcset=\"https:\/\/www.protpi.ch\/blog\/wp-content\/uploads\/2016\/08\/MassSpectrum-1024x721.png 1024w, https:\/\/www.protpi.ch\/blog\/wp-content\/uploads\/2016\/08\/MassSpectrum-300x211.png 300w, https:\/\/www.protpi.ch\/blog\/wp-content\/uploads\/2016\/08\/MassSpectrum-768x541.png 768w, https:\/\/www.protpi.ch\/blog\/wp-content\/uploads\/2016\/08\/MassSpectrum-50x35.png 50w, https:\/\/www.protpi.ch\/blog\/wp-content\/uploads\/2016\/08\/MassSpectrum.png 1307w\" sizes=\"auto, (max-width: 1024px) 100vw, 1024px\" \/><figcaption id=\"caption-attachment-336\" class=\"wp-caption-text\">Mass spectrum of a peptide with multiple charge states.<\/figcaption><\/figure>\n<p>Furthermore a sodium adduct was simulated besides the protonated ions. This is shown in a zoom of the mass spectrum.<\/p>\n<figure id=\"attachment_337\" aria-describedby=\"caption-attachment-337\" style=\"width: 1024px\" class=\"wp-caption alignnone\"><img loading=\"lazy\" decoding=\"async\" class=\"wp-image-337 size-large\" src=\"https:\/\/www.protpi.ch\/blog\/wp-content\/uploads\/2016\/08\/MassSpectrumZoom-1024x722.png\" alt=\"Mass spectrum with different adducts.\" width=\"1024\" height=\"722\" srcset=\"https:\/\/www.protpi.ch\/blog\/wp-content\/uploads\/2016\/08\/MassSpectrumZoom-1024x722.png 1024w, https:\/\/www.protpi.ch\/blog\/wp-content\/uploads\/2016\/08\/MassSpectrumZoom-300x211.png 300w, https:\/\/www.protpi.ch\/blog\/wp-content\/uploads\/2016\/08\/MassSpectrumZoom-768x541.png 768w, https:\/\/www.protpi.ch\/blog\/wp-content\/uploads\/2016\/08\/MassSpectrumZoom-50x35.png 50w, https:\/\/www.protpi.ch\/blog\/wp-content\/uploads\/2016\/08\/MassSpectrumZoom.png 1307w\" sizes=\"auto, (max-width: 1024px) 100vw, 1024px\" \/><figcaption id=\"caption-attachment-337\" class=\"wp-caption-text\">Zoomed mass spectrum with single protonated and a sodium adduct ion of the peptide.<\/figcaption><\/figure>\n<p>These are\u00a0only a few of many\u00a0features that comes with the new MassSpecTool in the current version of Prot pi.<\/p>\n<h3>Major updates<\/h3>\n<ul>\n<li>Release of MassSpecTool<\/li>\n<\/ul>\n<h3>Minor updates<\/h3>\n<ul>\n<li>Updated frameworks<\/li>\n<li>Security updates<\/li>\n<li>Graphical updates<\/li>\n<\/ul>\n<p>[ratings]<\/p>\n","protected":false},"excerpt":{"rendered":"<p>A new mass spectrum simulator\u00a0comes with the\u00a0current\u00a0version\u00a02.2 of\u00a0Prot pi. This simulator brings some weighty benefits such as to define the ion adduct, charge state and resolution. An awesome feature is the possibility to integrate multiple compounds in one mass spectrum. This gives amongst others the opportunity to simulate multiple charge state of a compound. In [&hellip;]<\/p>\n","protected":false},"author":1,"featured_media":0,"comment_status":"open","ping_status":"open","sticky":false,"template":"","format":"standard","meta":{"footnotes":""},"categories":[24],"tags":[7,27,22],"class_list":["post-334","post","type-post","status-publish","format-standard","hentry","category-news","tag-bioinformatics","tag-mass-spectrometry","tag-release-note"],"jetpack_featured_media_url":"","_links":{"self":[{"href":"https:\/\/www.protpi.ch\/blog\/wp-json\/wp\/v2\/posts\/334","targetHints":{"allow":["GET"]}}],"collection":[{"href":"https:\/\/www.protpi.ch\/blog\/wp-json\/wp\/v2\/posts"}],"about":[{"href":"https:\/\/www.protpi.ch\/blog\/wp-json\/wp\/v2\/types\/post"}],"author":[{"embeddable":true,"href":"https:\/\/www.protpi.ch\/blog\/wp-json\/wp\/v2\/users\/1"}],"replies":[{"embeddable":true,"href":"https:\/\/www.protpi.ch\/blog\/wp-json\/wp\/v2\/comments?post=334"}],"version-history":[{"count":5,"href":"https:\/\/www.protpi.ch\/blog\/wp-json\/wp\/v2\/posts\/334\/revisions"}],"predecessor-version":[{"id":342,"href":"https:\/\/www.protpi.ch\/blog\/wp-json\/wp\/v2\/posts\/334\/revisions\/342"}],"wp:attachment":[{"href":"https:\/\/www.protpi.ch\/blog\/wp-json\/wp\/v2\/media?parent=334"}],"wp:term":[{"taxonomy":"category","embeddable":true,"href":"https:\/\/www.protpi.ch\/blog\/wp-json\/wp\/v2\/categories?post=334"},{"taxonomy":"post_tag","embeddable":true,"href":"https:\/\/www.protpi.ch\/blog\/wp-json\/wp\/v2\/tags?post=334"}],"curies":[{"name":"wp","href":"https:\/\/api.w.org\/{rel}","templated":true}]}}