MassBank:KOX00832p

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All Molecules KOX PR PBX COX

Ion Frequency

Prec.-Product

Neutral Loss

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o-Phenanthroline

IDs and Links
MassBank	o-Phenanthroline
CAS	66-71-7
Keio ID	P057+

Top 10 Similar Molecules of o-Phenanthroline

Ranking	About scoring
KOX00809p Score:21.29 KOX00859p Score:19.74 KOX00879p Score:19.44 KOX00797p Score:19.44 KOX00912p Score:17.51 KOX00811p Score:17.51 KOX00840p Score:17 KOX00866p Score:13.9 KOX00381p Score:13.9 KOX00379p Score:13.9	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
C12H9N2 (181)	C11H8N (154)	a
C12H9N2 (181)	C5H4N (78)	e[f]

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。

KOX00832p	181 C12H9N2	154 C11H8N	127 C10H7	117 C8H7N	104 C7H6N	101 C8H5	78 C5H4N	77 C6H5	52 C3H2N	51 C4H3
181 C12H9N2
154 C11H8N	CHN
127 C10H7	C2H2N2	CHN
117 C8H7N	C4H2N	C3H
104 C7H6N	C5H3N	C4H2		CH
101 C8H5	C4H4N2	C3H3N	C2H2	H2N
78 C5H4N	C7H5N	C6H4		C3H3	C2H2
77 C6H5	C6H4N2	C5H3N	C4H2	C2H2N	CHN	C2
52 C3H2N	C9H7N	C8H6		C5H5	C4H4		C2H2
51 C4H3	C8H6N2	C7H5N	C6H4	C4H4N	C3H3N	C4H2	CHN	C2H2

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