MassBank:KOX00616p

General Index

All Molecules KOX PR PBX COX

Ion Frequency

Prec.-Product

Neutral Loss

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Triadimefon

IDs and Links
MassBank	Triadimefon
CAS	43121-43-3
Keio ID	T112+

Top 10 Similar Molecules of Triadimefon

Ranking	About scoring
KOX00043p Score:11.01 KOX00767p Score:9.3 KOX00674p Score:9.3 KOX00822p Score:8.34 KOX00773p Score:8.34 KOX00685p Score:8.34 KOX00469p Score:8.34 KOX00391p Score:8.34 KOX00364p Score:8.34 KOX00295p Score:8.34	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
C14H17ClN3O2 (294)	C12H14ClO2 (225)	b
C14H17ClN3O2 (294)	C6H6ClO (129)	d
C14H17ClN3O2 (294)	C6H4Cl (111)	e
C14H17ClN3O2 (294)	C4H9 (57)	a

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。

KOX00616p	294 C14H17ClN3O2	225 C12H14ClO2	197 C11H14ClO	141 C7H6ClO	129 C6H6ClO	111 C6H4Cl	99 C5H4Cl	86 C5H12N	77 C6H5	69 C5H9	57 C4H9
294 C14H17ClN3O2
225 C12H14ClO2	C2H3N3
197 C11H14ClO	C3H3N3O	CO
141 C7H6ClO	C7H11N3O	C5H8O	C4H8
129 C6H6ClO	C8H11N3O	C6H8O	C5H8	C
111 C6H4Cl	C8H13N3O2	C6H10O2	C5H10O	CH2O	H2O
99 C5H4Cl	C9H13N3O2	C7H10O2	C6H10O	C2H2O	CH2O	C
86 C5H12N	C9H5ClN2O2
77 C6H5	C8H12ClN3O2	C6H9ClO2	C5H9ClO	CHClO	HClO
69 C5H9	C9H8ClN3O2	C7H5ClO2	C6H5ClO					H3N
57 C4H9	C10H8ClN3O2	C8H5ClO2	C7H5ClO					CH3N		C

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