Ojima:KOX00467p

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All Molecules KOX PR PBX COX

Ion Frequency

Prec.-Product

Neutral Loss

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p-Nitroaniline

IDs and Links
MassBank	p-Nitroaniline
CAS	100-01-6
Keio ID	N012+

Top 10 Similar Molecules of p-Nitroaniline

Ranking	About scoring
U011+ Score:12.91 N012+ Score:12.91 T060+ Score:6.68 T028+ Score:6.68 S016+ Score:6.68 P190+ Score:6.68 P183+ Score:6.68 P079+ Score:6.68 P056+ Score:6.68 P047+ Score:6.68	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。

KOX00467p	139 C6H7N2O2	92 C6H6N	65 C5H5	39 C3H3
139 C6H7N2O2
92 C6H6N	HNO2
65 C5H5	CH2N2O2	CHN
39 C3H3	C3H4N2O2	C3H3N	C2H2

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