Ojima:PR100668n

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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。

PR100668n	447 C21H19O11	357 C18H13O8	339 C18H11O7	327 C17H11O7	297 C16H9O6	285 C15H9O6	284 C15H8O6	133 C8H5O2
447 C21H19O11
357 C18H13O8	C3H6O3
339 C18H11O7	C3H8O4	H2O
327 C17H11O7	C4H8O4	CH2O	C
297 C16H9O6	C5H10O5	C2H4O2	C2H2O	CH2O
285 C15H9O6	C6H10O5	C3H4O2	C3H2O	C2H2O	C
284 C15H8O6	C6H11O5	C3H5O2	C3H3O	C2H3O	CH	H
133 C8H5O2	C13H14O9	C10H8O6	C10H6O5	C9H6O5	C8H4O4	C7H4O4	C7H3O4

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