Ojima:PR100246p

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All Molecules KOX PR PBX COX

Ion Frequency

Prec.-Product

Neutral Loss

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Homoorientin

IDs and Links
MassBank	Homoorientin
CAS	4261-42-1
Keio ID

Top 10 Similar Molecules of Homoorientin

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。

PR100246p	449 C21H21O11	431 C21H19O10	413 C21H17O9	395 C21H15O8	383 C20H15O8	353 C19H13O7	329 C17H13O7	299 C16H11O6	165 C8H5O4
449 C21H21O11
431 C21H19O10	H2O
413 C21H17O9	H4O2	H2O
395 C21H15O8	H6O3	H4O2	H2O
383 C20H15O8	CH6O3	CH4O2	CH2O	C
353 C19H13O7	C2H8O4	C2H6O3	C2H4O2	C2H2O	CH2O
329 C17H13O7	C4H8O4	C4H6O3	C4H4O2	C4H2O	C3H2O	C2
299 C16H11O6	C5H10O5	C5H8O4	C5H6O3	C5H4O2	C4H4O2	C3H2O	CH2O
165 C8H5O4	C13H16O7	C13H14O6	C13H12O5	C13H10O4	C12H10O4	C11H8O3	C9H8O3	C8H6O2

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