MassBank:KOX00374p

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All Molecules KOX PR PBX COX

Ion Frequency

Prec.-Product

Neutral Loss

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3-Indoleacetonitrile

IDs and Links
MassBank	3-Indoleacetonitrile
CAS	771-51-7
Keio ID	I022+

Top 10 Similar Molecules of 3-Indoleacetonitrile

Ranking	About scoring
KOX00445p Score:28.48 KOX00811p Score:28.25 KOX00912p Score:24.25 KOX00879p Score:22.31 KOX00797p Score:22.31 KOX00381p Score:22.31 KOX00379p Score:22.31 KOX00604p Score:19.25 KOX00424p Score:19.25 KOX00377p Score:19.25	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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Annotations

Precursor	Product	Comments
C10H9N2 (157)	C9H8N (130)	a
C10H9N2 (157)	C8H7N (117)	c,rad.
C10H9N2 (157)	C6H5 (77)	b
C10H9N2 (157)	C4H3 (51)	d

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。

KOX00374p	157 C10H9N2	130 C9H8N	117 C8H7N	103 C8H7	90 C7H6	89 C7H5	77 C6H5	55 C4H7	51 C4H3
157 C10H9N2
130 C9H8N	CHN
117 C8H7N	C2H2N	CH
103 C8H7	C2H2N2	CHN	N
90 C7H6	C3H3N2	C2H2N	CHN	CH
89 C7H5	C3H4N2	C2H3N	CH2N	CH2	H
77 C6H5	C4H4N2	C3H3N	C2H2N	C2H2	CH	C
55 C4H7	C6H2N2	C5HN	C4N	C4
51 C4H3	C6H6N2	C5H5N	C4H4N	C4H4	C3H3	C3H2	C2H2	H4

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