Ojima:MT000128p

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
G043+ Score:15.25 G006+ Score:14.85 G018+ Score:14.85 P092+ Score:8.62 O008+ Score:8.62 G019+ Score:8.62 G005+ Score:8.62 F034+ Score:8.62 E005+ Score:8.62 A031+ Score:8.62	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 C10H15N2O6:   G043+   Pages Related to Peak C5H11N2O3:   G018+  G006+   Pages Related to Peak C5H8NO3:   A031+  E005+  F034+  G005+  G018+  G019+  G043+  O008+  P092+  G006+  G008+   Pages Related to Peak C4H6NO:   A031+  A122+  A191+  E005+  F034+  G005+  G018+  G019+  G043+  G062+  G065+  G117+  L016+  M114+  O008+  P092+  R016+  T010+  T014+  T015+  T020+  D038+  D061+  D183+  E056+  G006+  G021+  G046+  G051+  M025+  M081+  M082+  S044+  A204+

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。

MT000128p	276 C10H18N3O6	259 C10H15N2O6	147 C5H11N2O3	130 C5H8NO3	84 C4H6NO
276 C10H18N3O6
259 C10H15N2O6	H3N
147 C5H11N2O3	C5H7NO3	C5H4O3
130 C5H8NO3	C5H10N2O3	C5H7NO3	H3N
84 C4H6NO	C6H12N2O5	C6H9NO5	CH5NO2	CH2O2

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