Ojima:KOX00823p

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All Molecules KOX PR PBX COX

Ion Frequency

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Neutral Loss

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1,3-Phenylenediamine

IDs and Links
MassBank	1,3-Phenylenediamine
CAS	25265-76-3 108-45-2
Keio ID	P035+

Top 10 Similar Molecules of 1,3-Phenylenediamine

Ranking	About scoring
P035+ Score:19.57 S016+ Score:14.04 P079+ Score:14.04 M063+ Score:14.04 A068+ Score:14.04 G101+ Score:14.04 E012+ Score:14.04 A220+ Score:14.04 A042+ Score:14.04 P183+ Score:10.51	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。

KOX00823p	109 C6H9N2	93 C6H7N	92 C6H6N	80 C5H6N	65 C5H5	39 C3H3
109 C6H9N2
93 C6H7N	H2N
92 C6H6N	H3N	H
80 C5H6N	CH3N	CH	C
65 C5H5	CH4N2	CH2N	CHN	HN
39 C3H3	C3H6N2	C3H4N	C3H3N	C2H3N	C2H2

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