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 K. Tanaka and S. Kanaya, NAIST, Japan  
Instrument Type
EI EI-B
EI-EBEB
GC-EI-Q
GC-EI-QQ
GC-EI-TOF

ESI CE-ESI-TOF
ESI-FTICR
ESI-ITFT
ESI-ITTOF
ESI-QTOF
HPLC-ESI-TOF
LC-ESI-IT
LC-ESI-ITFT
LC-ESI-ITTOF
LC-ESI-Q
LC-ESI-QFT
LC-ESI-QIT
LC-ESI-QQ
LC-ESI-QTOF
LC-ESI-TOF
UPLC-ESI-QTOF

Others APCI-ITFT
APCI-ITTOF
CI-B
FAB-B
FAB-BE-MS
FAB-EB
FAB-EBEB
FD-B
FI-B
LC-APCI-Q
LC-APCI-QTOF
LC-APPI-QQ
MALDI-QIT
MALDI-TOF
MALDI-TOFTOF

MS Type
All    MS  MS1  MS2  MS3  MS4 

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