Ojima:KOX00296n

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Gibberellate

IDs and Links
MassBank	Gibberellate
CAS	77-06-5
Keio ID	G074-

Top 10 Similar Molecules of Gibberellate

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。

KOX00296n	345 C19H21O6	301 C18H21O4	283 C18H19O3	239 C17H19O	227 C15H15O2	221 C17H17	143 C11H11
345 C19H21O6
301 C18H21O4	CO2
283 C18H19O3	CH2O3	H2O
239 C17H19O	C2H2O5	CH2O3	CO2
227 C15H15O2	C4H6O4	C3H6O2	C3H4O
221 C17H17	C2H4O6	CH4O4	CH2O3	H2O
143 C11H11	C8H10O6	C7H10O4	C7H8O3	C6H8O	C4H4O2	C6H6

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