Ojima:KNA00219p

General Index

All Molecules KOX PR PBX COX

Ion Frequency

Prec.-Product

Neutral Loss

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MassBank	[1]
CAS
Keio ID

Top 10 Similar Molecules of

[show] Ranking	About scoring
M110+ Score:15.76 T014+ Score:15.76 G003+ Score:9.52 B090+ Score:5.94 A224+ Score:5.94 F008+ Score:5.94 H048+ Score:5.72 U006+ Score:3.8 P081+ Score:3.8 M082+ Score:3.8	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。

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[show] Page list for each fragment

Pages Related to Peak C5H9O3:   G003+  H048+  T014+  M110+   Pages Related to Peak C5H7O2:   T014+  M110+   Pages Related to Peak C4H7O:   F008+  A224+  B090+   Pages Related to Peak C4H5O:   A002+  A007+  A018+  A037+  A122+  A133+  A191+  G003+  G015+  G032+  G062+  G065+  H013+  M080+  O015+  P067+  P075+  R016+  S049+  T014+  A194+  C043+  D069+  G021+  G046+  G051+  M011+  M024+  M081+  M082+  M110+  P081+  U006+

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Precursor-Product Relationship

[show] 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。

[hide] KNA00219p	153 C5H13O5	135 C5H11O4	117 C5H9O3	99 C5H7O2	71 C4H7O	69 C4H5O	57 H57
153 C5H13O5
135 C5H11O4	H2O
117 C5H9O3	H4O2	H2O
99 C5H7O2	H6O3	H4O2	H2O
71 C4H7O	CH6O4	CH4O3	CH2O2	CO
69 C4H5O	CH8O4	CH6O3	CH4O2	CH2O	H2
57 H57

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