Page Menu
Home
c4science
Search
Configure Global Search
Log In
Files
F92588048
index.html
No One
Temporary
Actions
Download File
Edit File
Delete File
View Transforms
Subscribe
Mute Notifications
Award Token
Subscribers
None
File Metadata
Details
File Info
Storage
Attached
Created
Thu, Nov 21, 18:12
Size
5 KB
Mime Type
text/html
Expires
Sat, Nov 23, 18:12 (2 d)
Engine
blob
Format
Raw Data
Handle
22464908
Attached To
rMSTOOLS mstools
index.html
View Options
<!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>
%
Δ
1: relative abundance of the isotope at a distance of 1Da 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
3:
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'
;
var
tplVersion
=
'v2.56.0'
;
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
);
},
error
:
function
(
err
)
{
console
.
log
(
'error'
,
err
);
}
})
}
function
addVisualizer
(
version
,
search
)
{
version
=
checkVersion
(
version
);
var
cdn
=
'https://www.lactame.com'
;
var
direct
=
'http://direct.lactame.com'
;
var
visualizer
=
document
.
createElement
(
'script'
);
var
baseUrl
;
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>
Event Timeline
Log In to Comment