Template:MassBank/Matrix
From Metabolomics.JP
(Difference between revisions)
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function mass(str) | function mass(str) | ||
| − | local c,h,cl,n,o,p,s=string.match(str,"(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]? | + | local c,h,cl,n,o,p,s=string.match(str,"(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]?)"); |
c = atomicNum("C", c) * 12; | c = atomicNum("C", c) * 12; | ||
h = atomicNum("H", h); | h = atomicNum("H", h); | ||
| − | cl= atomicNum("Cl", cl) * 35; | + | cl= atomicNum("Cl",cl) * 35; |
n = atomicNum("N", n) * 14; | n = atomicNum("N", n) * 14; | ||
o = atomicNum("O", o) * 16; | o = atomicNum("O", o) * 16; | ||
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---computes str1 - str2. If negative, returns nil.--- | ---computes str1 - str2. If negative, returns nil.--- | ||
local c1,h1,cl1,n1,o1,p1,s1=string.match(str1,"(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]?)"); | local c1,h1,cl1,n1,o1,p1,s1=string.match(str1,"(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]?)"); | ||
| − | local c2,h2, | + | local c2,h2,cl2,n2,o2,p2,s2=string.match(str2,"(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]?)"); |
c1 = atomicNum("C", c1); | c1 = atomicNum("C", c1); | ||
h1 = atomicNum("H", h1); | h1 = atomicNum("H", h1); | ||
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end | end | ||
| | | | ||
| − | {{{data| | + | {{{data|CHClNOPS}}} |
}} | }} | ||
|#|{{#bar:}}}} | |#|{{#bar:}}}} | ||
|} | |} | ||
</small> | </small> | ||
Revision as of 14:52, 12 May 2009
| MassBank/Matrix | 141 CHClNOPS |
| 141 CHClNOPS |
