Ojima:KNA00095p

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
O009+ Score:31.88 P105+ Score:25.24 A103+ Score:14.24 B026+ Score:13.06 A039+ Score:13.06 O005+ Score:8.57 Z003+ Score:8.57 P003+ Score:8.57 O003+ Score:8.57 M067+ Score:8.57	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 C6H15N4O2:   O009+  P105+   Pages Related to Peak C6H12N3O2:   O009+  A103+  P105+   Pages Related to Peak C5H12N3O:   O009+   Pages Related to Peak C5H10NO2:   A032+  A039+  A110+  C013+  M067+  O003+  O009+  P003+  Z003+  B026+  O005+  P105+   Pages Related to Peak C4H8N:   A032+  A039+  A110+  C013+  G037+  G117+  I008+  L007+  M067+  O003+  O009+  P003+  P055+  Z003+  A036+  A069+  A103+  A112+  B026+  B040+  D033+  G021+  H003+  H097+  O005+  P046+  P054+  P074+  P105+  T021+  T022+  T122+  N044+   Pages Related to Peak CH6N3:   A039+  B019+  E015+  G032+  H073+  M035+  O009+  A103+  A104+  A225+  B010+  B026+  G039+  M032+  P105+  T033+

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。

KNA00095p	175 C6H15N4O2	158 C6H12N3O2	157 C6H13N4O	130 C5H12N3O	116 C5H10NO2	70 C4H8N	60 CH6N3
175 C6H15N4O2
158 C6H12N3O2	H3N
157 C6H13N4O	H2O
130 C5H12N3O	CH3NO	CO	CHN
116 C5H10NO2	CH5N3	CH2N2
70 C4H8N	C2H7N3O2	C2H4N2O2	C2H5N3O	CH4N2O	CH2O2
60 CH6N3	C5H9NO2	C5H6O2	C5H7NO	C4H6O

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