MassBank:KOX00823p

General Index

All Molecules KOX PR PBX COX

Ion Frequency

Prec.-Product

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
KOX00788p Score:19.26 KOX00467p Score:15.4 KOX00863p Score:14.13 KOX00840p Score:14.13 KOX00647p Score:14.13 KOX00302p Score:14.13 KOX00231p Score:14.13 KOX00107p Score:14.13 KOX00032p Score:14.13 KOX00620p Score:11.85	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
C6H9N2 (109)	C6H7N (93)	a,rad.
C6H9N2 (109)	C6H6N (92)	a
C6H9N2 (109)	C5H6N (80)	b
C6H9N2 (109)	C4H4N (66)	c[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。

KOX00823p	109 C6H9N2	93 C6H7N	92 C6H6N	80 C5H6N	66 C4H4N	65 C5H5	55 C4H7
109 C6H9N2
93 C6H7N	H2N
92 C6H6N	H3N	H
80 C5H6N	CH3N	CH	C
66 C4H4N	C2H5N	C2H3	C2H2	CH2
65 C5H5	CH4N2	CH2N	CHN	HN
55 C4H7	C2H2N2	C2N

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