Substructure Search
mass calculator
user manual
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Substructure
Query1
AND
Query2
Comparison of pi-electron for each atom
number in query = number in target
number in query <= number in target
none
* 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