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Created
Sun, Dec 22, 13:36
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5 KB
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text/html
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Tue, Dec 24, 13:36 (1 d, 19 h)
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blob
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23119077
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rMSTOOLS mstools
index.html
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<!doctype html>
<html>
<head>
<script defer src="https://datami.cheminfo.org/script.js" data-website-id="464ec4d4-8fd3-4790-b0f6-cc0c3bba1c7e"></script>
<meta charset="utf-8">
<meta description=" This tool allows&nbsp;to find possible molecular formula based on a molecular formula range.
Any atom can be specified from the "Atom range selector" table.
In order to assist in the selection of the elements, the following information are displayed for each element
Nb iso: the number of isotopes
iso 5%: number of isotopes with over 5% abundance
% &Delta;-3: relative abundance of the isotope at a distance of -3Da compare to the more abundant isotope
% &Delta;-2:&nbsp;relative abundance of the isotope at a distance of -2Da compare to the more abundant isotope
% &Delta;-1:&nbsp;relative abundance of the isotope at a distance of -1Da compare to the more abundant isotope
% &Delta;1: relative abundance of the isotope at a distance of 1Da compare to the more abundant isotope
% &Delta;2:&nbsp;relative abundance of the isotope at a distance of 2Da compare to the more abundant isotope
% &Delta;3:&nbsp;relative abundance of the isotope at a distance of 3Da compare to the more abundant isotope
Min: Minimal number of this atom in the proposed molecular formula
Max:&nbsp;Maximal number of this atom in the proposed molecular formula
Many: Many of the selected elements may be present at the same time
One: Only one of those selected element may be present
">
<title>Molecular formula finder - All elements</title>
<script src="https://www.lactame.com/lib/jquery/2.1.1/jquery.min.js"></script>
<script src="https://www.lactame.com/lib/uri.js/1.14.1/URI.min.js"></script>
<script>
window.addEventListener('load', function () {
$('.navmenu').show();
});
</script>
</head>
<body>
<header>
<nav>
</nav>
</header>
<!--#if expr="%{HTTP_USER_AGENT} =~ /bot/" -->
<p>This tool allows to find possible molecular formula based on a molecular formula range.</p>
<p>Any atom can be specified from the "Atom range selector" table.</p>
<p>In order to assist in the selection of the elements, the following information are displayed for each element</p>
<ul>
<li>Nb iso: the number of isotopes</li>
<li>iso 5%: number of isotopes with over 5% abundance</li>
<li>% Δ-3: relative abundance of the isotope at a distance of -3Da compare to the more abundant isotope</li>
<li>% Δ-2: relative abundance of the isotope at a distance of -2Da compare to the more abundant isotope</li>
<li>% Δ-1: relative abundance of the isotope at a distance of -1Da compare to the more abundant isotope</li>
<li>% Δ1: relative abundance of the isotope at a distance of 1Da compare to the more abundant isotope</li>
<li>% Δ2: relative abundance of the isotope at a distance of 2Da compare to the more abundant isotope</li>
<li>% Δ3: relative abundance of the isotope at a distance of 3Da compare to the more abundant isotope</li>
<li><span class="marker">Min: Minimal number of this atom in the proposed molecular formula</span></li>
<li><span class="marker">Max: Maximal number of this atom in the proposed molecular formula</span></li>
<li><span class="marker">Many: Many of the selected elements may be present at the same time</span></li>
<li><span class="marker">One: Only one of those selected element may be present</span></li>
</ul>
<!--#endif -->
<!--#if expr="%{HTTP_USER_AGENT} !~ /bot/" -->
<div class="general">
</div>
<script>
'use strict';
window.onload = function () {
function checkVersion(v) {
if (typeof v === 'string') {
if (v[0] >= '0' && v[0] <= '9') {
return 'v' + v;
}
}
return v;
}
var version;
var uri = new URI(window.location.href);
var search = uri.search(true);
var url = 'https://couch.cheminfo.org/cheminfo-public/b50564ac9d207212f8e5ae8167ed26bd/view.json?rev=25-e6619d33d315444f2227c14e7450773b';
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if (search.viewURL) {
url = search.viewURL;
}
// Get version in the following priority order
// In url, in template, fallback
if (search.v) {
version = search.v;
}
if (!version) {
version = tplVersion;
}
if (!search.loadversion)
addVisualizer(version, search);
else {
$.ajax({
url: url,
dataType: 'json',
type: 'GET',
success: function (data) {
addVisualizer(data.version, search);
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error: function (err) {
console.log('error', err);
}
})
}
function addVisualizer(version, search) {
version = checkVersion(version);
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baseUrl = (search.direct ? direct : cdn) + '/visualizer/' + version;
visualizer.setAttribute('data-main', baseUrl+ '/init');
visualizer.setAttribute('src', baseUrl + '/components/requirejs/require.js');
document.head.appendChild(visualizer);
}
}
</script>
<div id="errorMessage"></div>
<tr>
<td class="left"></td>
<td colspan="3">
<div id="ci-visualizer" data-ci-view="https://couch.cheminfo.org/cheminfo-public/b50564ac9d207212f8e5ae8167ed26bd/view.json?rev=25-e6619d33d315444f2227c14e7450773b"
data-ci-config="../../../static/readConfig.json"/>
</td>
<td class="right"></td>
</tr>
<!--#endif -->
</body>
</html>
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