Template:MassBank/Matrix
From Metabolomics.JP
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− | FORMULA_PAT = "(C?[1-9]?[0-9]?)(H?[1-9]?[0-9]?)(C?l?[2-9]?)(N?[1-9]?[0-9]?)(O?[1-9]?[0-9]?)(P?[2-9]?)(S?[2-9]?)"; | + | FORMULA_PAT = "(C?[1-9]?[0-9]?)(H?[1-9]?[0-9]?)(C?l?[2-9]?)(F?[2-9]?)(I?[2-9]?)(N?[1-9]?[0-9]?)(O?[1-9]?[0-9]?)(P?[2-9]?)(S?[2-9]?)"; |
− | FORMULA_CHAR = " | + | FORMULA_CHAR = "CHFINOPSl0-9"; |
− | ATOM = {"C", "H", "Cl", "N", "O", "P", "S"}; | + | ATOM = {"C", "H", "Cl", "F", "I", "N", "O", "P", "S"}; |
− | MASS = {12, 1, 35, 14, 16, 31, 32}; | + | MASS = {12, 1, 35, 19, 127, 14, 16, 31, 32}; |
function toFormula(t) | function toFormula(t) |
Revision as of 01:00, 23 May 2009
Ojimatrix
No "ION INFO" line in the form &&(formula)&&(formula)&&...&&
MassBank/Matrix | 64 CHClONSP |
64 CHClONSP |
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Links
Annotations
Precursor | Product | Comments |
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CHClNOPS |