ReSpect 
ACCESSION


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Search Example

The following separators are available:
\s (Whitespace character) \n (Carriage return character, Carriage return code) \t (Tab) ; (Semicolon) : (Colon) 
Example 1 (Tryptophan)146.0634 159.0952 188.0755 205.0977

Example 2 (Tryptophan)146.0634;159.0952;188.0755;205.0977;
Fragment Search
 Fragment search is a spectrum search, which is based on only the matching of m/z values in MS/MS data.
Query data : m/z values of your MS/MS data Record : m/z value of ReSpect record 
1. Execution of spectrum search using query and record
MS/MS data of query and record : Q, R m/z value of query and record : Q_{x}, R_{x} Match : Q_{x1}  R_{x1} ≤ m/z tolerance Match : Q_{x2}  R_{x2} ≤ m/z tolerance Mismatch : Q_{x3}  R_{x3} > m/z tolerance
MS/MS fragmentation association rule (September 2011)

1. Setting for ReSpect record selection
Relative intensity : ≤20% Ranking : Top 10 Total : 8,623 ReSpect records 
2. Calculation of MS/MS fragmentation association rule
21. Using association rule algorithm (see →), total 4,063,748 rules were enumerated.22. After the calculation of association rules, the 12,220 of MS/MS fragmentation association rules are defined as followed.In a rule, the antecedent is a single and max value of m/z in the rule.Difference of m/z values between antecedent and consequent is more than 10.Transactions are grouped by same polarity and adduct type in a compound class level 1.Table23. Calculation of index values for a rule.Number of transaction including antecedent (X)Number of transaction including consequent (Y)Number of all transaction (Z)Support (X) = count (X) ÷ count (Z)Support (Y) = count (Y) ÷ count (Z)Support (X⇒Y) = count (X∪Y) ÷ count (Z)Confidence (X⇒Y) = count (X∪Y) ÷ count (X)Lift (X⇒Y) = Confidence (X⇒Y) ÷ Support (Y)Example evaluation of a rule (A⇒B) Support (A⇒B) Frequency of A⇒B can estimate as percentage, e.g., 0–100%. Confidence (A⇒B) Strength of A⇒B can estimate as percentage, e.g., 0–100%. Lift (A⇒B) Independence of A⇒B can estimate as criterion variable, e.g., 0–∞. Lift values greater than 1 Frequency of a rule has positively effect on frequency of antecedent. Lift value is less than 1 Frequency of a rule has negatively effect on frequency of antecedent. Lift value close to 1 Frequency of a rule has no effect on frequency of antecedent.