Description

Opens the window Search Compounds in which Compounds can be searched for, by specifying a name or name parts and/or a molecular mass-range and/or a full or partial molecular formula.

Purpose: Search Compounds by giving either a name or parts of it, or a molecular formula or a molecular mass, or any combination of these items.

Picture: Search Compounds window. Click on window items to get more info.

Window "Name Parts"

You can give partial or complete chemical names of the compound. If multiple name-parts are to be found, place them in separate lines. Case of letters is ignored, all special characters will be normalized, so that spelling differences will have as little influence as possible.

Search Molecular Formula

You can specify both exact values, and ranges of values.

Example

D 2 will find compounds which are twice deuterated
C > 5 will find all compounds with more than 5 Carbons
F 3-5 will find all compounds with 3 to 5 Fluors

Combinations are allowed to specify up to 20 different elements. If you want to exclude all elements not given, you have to check the "exact" checkbox to the right. So, to find all compounds with 5 Carbons, but no other elements except Hydrogen, use C 5 H >=1

Search Molecular Mass

You can either give an exact mass, or a range to be searched. Exact masses will be automatically converted into a range that is +/- 0.5 around the last given digit. To specify a range, separate the masses by an hyphen, or use the symbols "<" or ">"

Example

mass 128.6 will be converted to 128.55 - 128.65
mass 68 will be converted to 67.5 - 68.5
mass > 50 will be converted to 50 - 10000
mass < 50 will be converted to 0 - 50

SciDex Help 1.1
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