Substructure Search

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 Substructure
Query1



AND Query2



Comparison of pi-electron for each atom 
 * Double and triple bound is translated to pi-electrons of the bonded atoms.
Copyright 2008 by K. Tanaka and S. Kanaya, NAIST, Japan  
Instrument Type
EI EI-MS
GC-EI-TOF-MS

ESI CE-ESI-TOF-MS
ESI-IT-(MS)n
ESI-IT-MS/MS
ESI-QqQ-MS/MS
ESI-QqTOF-MS/MS
LC-ESI-FT-MS
LC-ESI-IT-MS/MS
LC-ESI-IT-TOF-MS
LC-ESI-Q-MS
LC-ESI-QTOF-MS/MS
LC-ESI-QqQ-MS
LC-ESI-QqQ-MS/MS
LC-ESI-QqTOF-MS/MS
LC-ESI-TOF-MS

Others CI-MS
FAB-CID-EBEB-MS/MS
FAB-MS
FD-MS
FI-MS
UV-MALDI-TOF-MS

Ionization Mode
Positive   Negative     Both
Peak Search  (Option)
m/z  ,   , 
Tolerance of m/z