Ojima:KNA00062p

General Index

All Molecules KOX PR PBX COX

Ion Frequency

Prec.-Product

Neutral Loss

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IDs and Links
MassBank	[1]
CAS
Keio ID

Top 10 Similar Molecules of

Ranking	About scoring
S003+ Score:25.13 A112+ Score:25.13 S011+ Score:18.9 A111+ Score:18.9 D035+ Score:9.51 B040+ Score:9.51 A170+ Score:9.51 H024+ Score:7.64 P192+ Score:7.64 I063+ Score:7.64	The similarity score between two molecules is defined as the sum of Shannon entropy of ionic formulas shared by the molecules: $\textstyle - \sum_{p\in shared} \log(\mbox{frequency}(p))$ 代謝物間の類似度スコアは、それらのスペクトルで共有される（アノテートされた）イオン式のシャノン情報量の総和です。

Links

Page list for each fragment

Pages Related to Peak C7H20N3:   A112+  S003+   Pages Related to Peak C7H17N2:   A111+  A112+  S003+  S011+   Pages Related to Peak C7H14N:   A111+  A112+  P054+  S003+  S011+   Pages Related to Peak C3H11N2:   A170+  B040+  D035+   Pages Related to Peak C4H10N:   A032+  A039+  A135+  A189+  E015+  N009+  O009+  V001+  A051+  A069+  A104+  A111+  A112+  B001+  B026+  I063+  L057+  O005+  O016+  P105+  P190+  P192+  S003+  S011+  H024+   Pages Related to Peak C3H8N:   A048+  A087+  A240+  B072+  D131+  H048+  H064+  I008+  N009+  A052+  A060+  A069+  A111+  A112+  A170+  A224+  B040+  B044+  B047+  B090+  C032+  C041+  C044+  C220+  D035+  D036+  D075+  H004+  H112+  I011+  I063+  L034+  M099+  M103+  P074+  P192+  S003+  S011+  T024+  T051+  V021+  H024+

Annotations

Precursor-Product Relationship

About the PP Table (行列表示について)
The matrix is viewed columnwise. The topmost precursor ion in bold face produces the product ions beneath it. Each formula in matrix cells corresponds to the neutral loss. Blackout cells indicate products that cannot be derived, and orange cells indicate a structurally plausible link produced by cleaving a single chemical bond (in cases of ring-opening, two bonds).	行列は列方向に見ます。最上段太字の前駆イオン(precursor ion)が直下の生成イオン群(product ions)になると解釈します。 行列要素に書かれている組成式はニュートラルロスです。黒は前駆イオンから生成しえない関係、オレンジは分子構造における共有結合1本の切断（開環の場合は2本）で生じる関係を意味します。

KNA00062p	146 C7H20N3	129 C7H17N2	112 C7H14N	75 C3H11N2	72 C4H10N	58 C3H8N
146 C7H20N3
129 C7H17N2	H3N
112 C7H14N	H6N2	H3N
75 C3H11N2	C4H9N	C4H6
72 C4H10N	C3H10N2	C3H7N	C3H4
58 C3H8N	C4H12N2	C4H9N	C4H6	H3N	CH2

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