Ojima:MT000048p

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
M025+ Score:14.38 H003+ Score:14.38 T020+ Score:14.38 T010+ Score:14.38 A204+ Score:9.53 M003+ Score:8.84 G018+ Score:8.84 T098+ Score:4.84 P192+ Score:4.84 A194+ Score:4.84	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 C4H10NO3:   T010+  T020+  H003+  M025+  A204+   Pages Related to Peak C4H8NO2:   A031+  A065+  C094+  E005+  F034+  G005+  G018+  G019+  G043+  M003+  M114+  O008+  P092+  R016+  T010+  T020+  A020+  A239+  B090+  D038+  D061+  D183+  E056+  G006+  H003+  M025+  A204+   Pages Related to Peak C3H8NO:   B018+  G018+  M003+  T010+  T020+  A046+  A194+  H003+  M025+  P192+  T098+

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。

MT000048p	249 C9H17N2O6	231 C9H15N2O5	120 C4H10NO3	102 C4H8NO2	74 C3H8NO
249 C9H17N2O6
231 C9H15N2O5	H2O
120 C4H10NO3	C5H7NO3	C5H5NO2
102 C4H8NO2	C5H9NO4	C5H7NO3	H2O
74 C3H8NO	C6H9NO5	C6H7NO4	CH2O2	CO

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