MassBank:KOX00831p

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All Molecules KOX PR PBX COX

Ion Frequency

Prec.-Product

Neutral Loss

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Pralidoxime

IDs and Links
MassBank	Pralidoxime
CAS	6735-59-7
Keio ID	P056+

Top 10 Similar Molecules of Pralidoxime

Ranking	About scoring
KOX00788p Score:28.55 KOX00886p Score:22.65 KOX00789p Score:22.65 KOX00118p Score:19.55 KOX00840p Score:16.93 KOX00231p Score:16.93 KOX00034p Score:16.93 KOX00704p Score:15.98 KOX00647p Score:13.88 KOX00697p Score:13.39	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
C7H9N2O (137)	C7H8N2 (120)	d,rad.
C7H9N2O (137)	C7H7N2 (119)	d
C7H9N2O (137)	C4H3 (51)	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。

KOX00831p	137 C7H9N2O	120 C7H8N2	119 C7H7N2	93 C6H7N	92 C6H6N	78 C5H4N	67 C4H5N	66 C5H6	65 C5H5	51 C4H3
137 C7H9N2O
120 C7H8N2	HO
119 C7H7N2	H2O	H
93 C6H7N	CH2NO	CHN	CN
92 C6H6N	CH3NO	CH2N	CHN	H
78 C5H4N	C2H5NO	C2H4N	C2H3N	CH3	CH2
67 C4H5N	C3H4NO	C3H3N	C3H2N	C2H2	C2H
66 C5H6	C2H3N2O	C2H2N2	C2HN2	CHN	CN
65 C5H5	C2H4N2O	C2H3N2	C2H2N2	CH2N	CHN			H
51 C4H3	C3H6N2O	C3H5N2	C3H4N2	C2H4N	C2H3N	CHN	H2N	CH3	CH2

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