MassBank:KOX00694p

General Index

All Molecules KOX PR PBX COX

Ion Frequency

Prec.-Product

Neutral Loss

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Cyprodinil

IDs and Links
MassBank	Cyprodinil
CAS	121552-61-2
Keio ID	C172+

Top 10 Similar Molecules of Cyprodinil

Ranking	About scoring
KOX00604p Score:23.24 KOX00879p Score:20.57 KOX00797p Score:20.57 KOX00582p Score:20.35 KOX00809p Score:19.13 KOX00359p Score:19.13 KOX00789p Score:18.38 KOX00231p Score:18.09 KOX00422p Score:15.88 KOX00912p Score:15.84	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
C14H16N3 (226)	C13H12N3 (210)	c
C14H16N3 (226)	C12H12N3 (198)	d
C14H16N3 (226)	C11H10N3 (184)	e
C14H16N3 (226)	C8H9N2 (133)	f
C14H16N3 (226)	C7H10N (108)	b[i]
C14H16N3 (226)	C6H8N (94)	j
C14H16N3 (226)	C6H7N (93)	j,rad.
C14H16N3 (226)	C7H7 (91)	k
C14H16N3 (226)	C6H5 (77)	a
C14H16N3 (226)	C5H5 (65)	h
C14H16N3 (226)	C4H3 (51)	g

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。

KOX00694p	226 C14H16N3	210 C13H12N3	198 C12H12N3	185 C12H13N2	184 C11H10N3	159 C10H11N2	144 C10H10N	133 C8H9N2	118 C7H6N2	108 C7H10N	94 C6H8N	93 C6H7N	91 C7H7	77 C6H5	65 C5H5	51 C4H3
226 C14H16N3
210 C13H12N3	CH4
198 C12H12N3	C2H4	C
185 C12H13N2	C2H3N
184 C11H10N3	C3H6	C2H2	CH2
159 C10H11N2	C4H5N	C3HN	C2HN	C2H2
144 C10H10N	C4H6N2	C3H2N2	C2H2N2	C2H3N	CN2	HN
133 C8H9N2	C6H7N	C5H3N	C4H3N	C4H4	C3HN	C2H2
118 C7H6N2	C7H10N	C6H6N	C5H6N	C5H7	C4H4N	C3H5		CH3
108 C7H10N	C7H6N2	C6H2N2	C5H2N2	C5H3N	C4N2	C3HN	C3
94 C6H8N	C8H8N2	C7H4N2	C6H4N2	C6H5N	C5H2N2	C4H3N	C4H2	C2HN		CH2
93 C6H7N	C8H9N2	C7H5N2	C6H5N2	C6H6N	C5H3N2	C4H4N	C4H3	C2H2N		CH3	H
91 C7H7	C7H9N3	C6H5N3	C5H5N3	C5H6N2	C4H3N3	C3H4N2	C3H3N	CH2N2		H3N
77 C6H5	C8H11N3	C7H7N3	C6H7N3	C6H8N2	C5H5N3	C4H6N2	C4H5N	C2H4N2	CHN2	CH5N	H3N	H2N	CH2
65 C5H5	C9H11N3	C8H7N3	C7H7N3	C7H8N2	C6H5N3	C5H6N2	C5H5N	C3H4N2	C2HN2	C2H5N	CH3N	CH2N	C2H2	C
51 C4H3	C10H13N3	C9H9N3	C8H9N3	C8H10N2	C7H7N3	C6H8N2	C6H7N	C4H6N2	C3H3N2	C3H7N	C2H5N	C2H4N	C3H4	C2H2	CH2

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