Ojima:KOX00381p

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All Molecules KOX PR PBX COX

Ion Frequency

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Neutral Loss

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Indole-3-acetate

IDs and Links
MassBank	Indole-3-acetate
CAS	87-51-4
Keio ID	I038+

Top 10 Similar Molecules of Indole-3-acetate

Ranking	About scoring
I038+ Score:29.82 I030+ Score:23.59 G041+ Score:19.35 T031+ Score:18.05 N016+ Score:18.05 M101+ Score:18.05 I022+ Score:18.05 H139+ Score:15.47 T054+ Score:15.01 M078+ Score:15.01	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。

KOX00381p	176 C10H10NO2	130 C9H8N	128 C9H6N	117 C8H7N	103 C8H7	77 C6H5	51 C4H3
176 C10H10NO2
130 C9H8N	CH2O2
128 C9H6N	CH4O2	H2
117 C8H7N	C2H3O2	CH
103 C8H7	C2H3NO2	CHN		N
77 C6H5	C4H5NO2	C3H3N	C3HN	C2H2N	C2H2
51 C4H3	C6H7NO2	C5H5N	C5H3N	C4H4N	C4H4	C2H2

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