Ion Modea
|
Exact Massb
|
Topological Fragmentc
|
Neutral Lossd
|
Maximum Distancee
|
---|
+ -
|
18.0106
|
OH
|
H2O
|
3
|
+ -
|
27.0109
|
CN
|
HCN
|
3
|
+ -
|
17.0266
|
NH2
|
NH3
|
3
|
+ -
|
30.0106
|
COH
|
CH2O
|
3
|
+
|
46.0055
|
COOH
|
HCOOH
|
3
|
- These rules are applied to the initial candidate structures to account for rearrangements during the tandem MS fragmentation, i.e. neutral losses of unconnected fragments: aionisation mode where this rule can be applied, bexact mass in Da of the neutral loss, cmolecular formula of the characteristic fragment, dall atoms that are removed, e maximum number of bonds traversed to match neutral loss.