MassBank:KOX00809p

General Index

All Molecules KOX PR PBX COX

Ion Frequency

Prec.-Product

Neutral Loss

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Myosmine

IDs and Links
MassBank	Myosmine
CAS	532-12-7
Keio ID	M172+

Top 10 Similar Molecules of Myosmine

Ranking	About scoring
KOX00912p Score:39.61 KOX00811p Score:39.61 KOX00647p Score:37.18 KOX00879p Score:35.59 KOX00797p Score:35.59 KOX00604p Score:32.54 KOX00866p Score:32.31 KOX00359p Score:30.98 KOX00510p Score:27.47 KOX00840p Score:27.13	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
C9H11N2 (147)	C9H8N (130)	-NH3
C9H11N2 (147)	C8H8N (118)	d[e]
C9H11N2 (147)	C8H7N (117)	d,rad.[e,rad.]
C9H11N2 (147)	C7H8N (106)	b
C9H11N2 (147)	C6H5N2 (105)	c
C9H11N2 (147)	C7H6N (104)	b
C9H11N2 (147)	C5H4N (78)	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。

KOX00809p	147 C9H11N2	130 C9H8N	118 C8H8N	117 C8H7N	106 C7H8N	105 C6H5N2	104 C7H6N	94 C6H8N	93 C6H7N	91 C7H7	78 C5H4N	77 C6H5	65 C5H5	52 C4H4	52 C3H2N	51 C4H3
147 C9H11N2
130 C9H8N	H3N
118 C8H8N	CH3N	C
117 C8H7N	CH4N	CH	H
106 C7H8N	C2H3N	C2	C
105 C6H5N2	C3H6
104 C7H6N	C2H5N	C2H2	CH2	CH	H2
94 C6H8N	C3H3N	C3	C2		C
93 C6H7N	C3H4N	C3H	C2H	C2	CH			H
91 C7H7	C2H4N2	C2HN	CHN	CN	HN
78 C5H4N	C4H7N	C4H4	C3H4	C3H3	C2H4	CHN	C2H2	CH4	CH3
77 C6H5	C3H6N2	C3H3N	C2H3N	C2H2N	CH3N	N2	CHN	H3N	H2N	CH2
65 C5H5	C4H6N2	C4H3N	C3H3N	C3H2N	C2H3N	CN2	C2HN	CH3N	CH2N	C2H2		C
52 C4H4	C5H7N2	C5H4N	C4H4N	C4H3N	C3H4N	C2HN2	C3H2N	C2H4N	C2H3N	C3H3	CN	C2H	CH
52 C3H2N	C6H9N	C6H6	C5H6	C5H5	C4H6	C3H3N	C4H4	C3H6	C3H5		C2H2
51 C4H3	C5H8N2	C5H5N	C4H5N	C4H4N	C3H5N	C2H2N2	C3H3N	C2H5N	C2H4N	C3H4	CHN	C2H2	CH2	H

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