Ojima:KO008812p

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
A137+ Score:49.98 P070+ Score:17.2 P071+ Score:6.23 M078+ Score:5.94 T003+ Score:5.72 P122+ Score:5.72 [[Ojima:C16H18N4O7S|]] Score:5.53 P002+ Score:5.53 A067+ Score:5.53	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 C21H24NO5:   A137+   Pages Related to Peak C21H22NO4:   A137+  P071+   Pages Related to Peak C20H17O4:   A137+   Pages Related to Peak C19H14O4:   A137+   Pages Related to Peak C19H14O3:   A137+   Pages Related to Peak C11H12NO3:   M078+  A137+  P070+   Pages Related to Peak C11H10NO2:   P122+  T003+  A137+  P070+   Pages Related to Peak C9H9O2:   A067+  P002+  A137+  P070+  [[Ojima:TestData_Bensulfuron-methyl|]]

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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] KO008812p	370 C21H24NO5	352 C21H22NO4	321 C20H17O4	306 C19H14O4	290 C19H14O3	206 C11H12NO3	188 C11H10NO2	149 C9H9O2
370 C21H24NO5
352 C21H22NO4	H2O
321 C20H17O4	CH7NO	CH5N
306 C19H14O4	C2H10NO	C2H8N	CH3
290 C19H14O3	C2H10NO2	C2H8NO	CH3O	O
206 C11H12NO3	C10H12O2	C10H10O
188 C11H10NO2	C10H14O3	C10H12O2				H2O
149 C9H9O2	C12H15NO3	C12H13NO2	C11H8O2	C10H5O2	C10H5O	C2H3NO	C2HN

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