MassBank:KOX00811p

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All Molecules KOX PR PBX COX

Ion Frequency

Prec.-Product

Neutral Loss

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Nicotine

IDs and Links
MassBank	Nicotine
CAS	54-11-5
Keio ID	N016+

Top 10 Similar Molecules of Nicotine

Ranking	About scoring
KOX00912p Score:62.94 KOX00647p Score:53.58 KOX00604p Score:42.9 KOX00866p Score:41.96 KOX00879p Score:40.41 KOX00797p Score:40.41 KOX00809p Score:39.61 KOX00720p Score:35.79 KOX00510p Score:31.33 KOX00236p Score:29	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
C10H15N2 (163)	C9H10N (132)	c
C10H15N2 (163)	C8H10N (120)	e
C10H15N2 (163)	C8H8N (118)	e
C10H15N2 (163)	C7H8N (106)	b
C10H15N2 (163)	C7H6N (104)	b
C10H15N2 (163)	C5H10N (84)	a
C10H15N2 (163)	C5H8N (82)	a
C10H15N2 (163)	C5H6N (80)	d
C10H15N2 (163)	C5H4N (78)	d

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。

KOX00811p	163 C10H15N2	132 C9H10N	130 C9H8N	120 C8H10N	118 C8H8N	117 C8H7N	106 C7H8N	104 C7H6N	103 C8H7	94 C6H8N	93 C6H7N	90 C7H6	89 C7H5	84 C5H10N	82 C5H8N	80 C5H6N	78 C5H4N	77 C6H5	65 C5H5	53 C4H5	51 C4H3
163 C10H15N2
132 C9H10N	CH5N
130 C9H8N	CH7N	H2
120 C8H10N	C2H5N	C
118 C8H8N	C2H7N	CH2	C	H2
117 C8H7N	C2H8N	CH3	CH	H3	H
106 C7H8N	C3H7N	C2H2	C2	CH2	C
104 C7H6N	C3H9N	C2H4	C2H2	CH4	CH2	CH	H2
103 C8H7	C2H8N2	CH3N	CHN	H3N	HN	N
94 C6H8N	C4H7N	C3H2	C3	C2H2	C2		C
93 C6H7N	C4H8N	C3H3	C3H	C2H3	C2H	C2	CH			H
90 C7H6	C3H9N2	C2H4N	C2H2N	CH4N	CH2N	CHN	H2N	N	CH
89 C7H5	C3H10N2	C2H5N	C2H3N	CH5N	CH3N	CH2N	H3N	HN	CH2			H
84 C5H10N	C5H5N	C4		C3
82 C5H8N	C5H7N	C4H2	C4	C3H2	C3		C2			C				H2
80 C5H6N	C5H9N	C4H4	C4H2	C3H4	C3H2	C3H	C2H2	C2		CH2	CH			H4	H2
78 C5H4N	C5H11N	C4H6	C4H4	C3H6	C3H4	C3H3	C2H4	C2H2		CH4	CH3			H6	H4	H2
77 C6H5	C4H10N2	C3H5N	C3H3N	C2H5N	C2H3N	C2H2N	CH3N	CHN	C2H2	H3N	H2N	CH	C
65 C5H5	C5H10N2	C4H5N	C4H3N	C3H5N	C3H3N	C3H2N	C2H3N	C2HN	C3H2	CH3N	CH2N	C2H	C2	H5N	H3N	HN		C
53 C4H5	C6H10N2	C5H5N	C5H3N	C4H5N	C4H3N	C4H2N	C3H3N	C3HN	C4H2	C2H3N	C2H2N	C3H	C3	CH5N	CH3N	CHN		C2	C
51 C4H3	C6H12N2	C5H7N	C5H5N	C4H7N	C4H5N	C4H4N	C3H5N	C3H3N	C4H4	C2H5N	C2H4N	C3H3	C3H2	CH7N	CH5N	CH3N	CHN	C2H2	CH2	H2

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