MassBank:KOX00853p

General Index

All Molecules KOX PR PBX COX

Ion Frequency

Prec.-Product

Neutral Loss

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Prowl (TM)

IDs and Links
MassBank	Prowl (TM)
CAS	40487-42-1
Keio ID	P183+

Top 10 Similar Molecules of Prowl (TM)

Ranking	About scoring
KOX00302p Score:19.98 KOX00863p Score:14.45 KOX00788p Score:14.45 KOX00032p Score:14.45 KOX00760p Score:13.26 KOX00831p Score:12.95 KOX00118p Score:12.95 KOX00877p Score:12.66 KOX00693p Score:12.26 KOX00912p Score:10.61	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
C13H20N3O4 (282)	C8H10N3O4 (212)	a
C8H10N3O4 (212)	C8H8N3O3 (194)	IT

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。

KOX00853p	282 C13H20N3O4	212 C8H10N3O4	194 C8H8N3O3	178 C8H8N3O2	131 C8H7N2	119 C7H7N2	105 C6H5N2	92 C6H6N	91 C6H5N	80 C5H6N	65 C5H5	53 C4H5
282 C13H20N3O4
212 C8H10N3O4	C5H10
194 C8H8N3O3	C5H12O	H2O
178 C8H8N3O2	C5H12O2	H2O2	O
131 C8H7N2	C5H13NO4	H3NO4	HNO3	HNO2
119 C7H7N2	C6H13NO4	CH3NO4	CHNO3	CHNO2	C
105 C6H5N2	C7H15NO4	C2H5NO4	C2H3NO3	C2H3NO2	C2H2	CH2
92 C6H6N	C7H14N2O4	C2H4N2O4	C2H2N2O3	C2H2N2O2	C2HN	CHN
91 C6H5N	C7H15N2O4	C2H5N2O4	C2H3N2O3	C2H3N2O2	C2H2N	CH2N	N	H
80 C5H6N	C8H14N2O4	C3H4N2O4	C3H2N2O3	C3H2N2O2	C3HN	C2HN		C
65 C5H5	C8H15N3O4	C3H5N3O4	C3H3N3O3	C3H3N3O2	C3H2N2	C2H2N2	CN2	CHN	CN	HN
53 C4H5	C9H15N3O4	C4H5N3O4	C4H3N3O3	C4H3N3O2	C4H2N2	C3H2N2	C2N2	C2HN	C2N	CHN	C

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