Ojima:KO008944p

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
D064+ Score:32.78 D106+ Score:6.23	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 C27H30NO11:   D064+   Pages Related to Peak C21H17O8:   D064+   Pages Related to Peak C21H15O7:   D064+   Pages Related to Peak C21H13O6:   D064+   Pages Related to Peak C19H13O5:   D064+  D106+

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。

KO008944p	544 C27H30NO11	526 C27H28NO10	397 C21H17O8	379 C21H15O7	361 C21H13O6	321 C19H13O5
544 C27H30NO11
526 C27H28NO10	H2O
397 C21H17O8	C6H13NO3	C6H11NO2
379 C21H15O7	C6H15NO4	C6H13NO3	H2O
361 C21H13O6	C6H17NO5	C6H15NO4	H4O2	H2O
321 C19H13O5	C8H17NO6	C8H15NO5	C2H4O3	C2H2O2	C2O

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