Ojima:PR100360p

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All Molecules KOX PR PBX COX

Ion Frequency

Prec.-Product

Neutral Loss

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Maritimein

IDs and Links
MassBank	Maritimein
CAS	490-54-0
Keio ID

Top 10 Similar Molecules of Maritimein

Ranking	About scoring
	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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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。

PR100360p	449 C21H21O11	287 C15H11O6	241 C14H9O4	231 C13H11O4	213 C13H9O3	185 C12H9O2	161 C9H5O3	153 C7H5O4
449 C21H21O11
287 C15H11O6	C6H10O5
241 C14H9O4	C7H12O7	CH2O2
231 C13H11O4	C8H10O7	C2O2
213 C13H9O3	C8H12O8	C2H2O3	CO	H2O
185 C12H9O2	C9H12O9	C3H2O4	C2O2	CH2O2	CO
161 C9H5O3	C12H16O8	C6H6O3	C5H4O	C4H6O	C4H4
153 C7H5O4	C14H16O7	C8H6O2	C7H4	C6H6

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