MassBank:KOX00647p

General Index

All Molecules KOX PR PBX COX

Ion Frequency

Prec.-Product

Neutral Loss

Help

Anabasine

IDs and Links
MassBank	Anabasine
CAS	494-52-0
Keio ID	A068+

Top 10 Similar Molecules of Anabasine

Ranking	About scoring
KOX00811p Score:53.58 KOX00912p Score:37.76 KOX00809p Score:37.18 KOX00325p Score:32.92 KOX00879p Score:29.87 KOX00797p Score:29.87 KOX00604p Score:29.87 KOX00866p Score:26.58 KOX00510p Score:25.61 KOX00766p Score:25.41	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。

Links

Annotations

Precursor	Product	Comments
C10H15N2 (163)	C10H12N (146)	e
C10H15N2 (163)	C8H10N (120)	a
C10H15N2 (163)	C8H8N (118)	a
C10H15N2 (163)	C8H7N (117)	a,rad.
C10H15N2 (163)	C7H8N (106)	g
C10H15N2 (163)	C7H6N (104)	g
C10H15N2 (163)	C6H8N (94)	b
C10H15N2 (163)	C6H7N (93)	b,rad.
C10H15N2 (163)	C6H6N (92)	b
C10H15N2 (163)	C5H10N (84)	d
C10H15N2 (163)	C5H6N (80)	c
C10H15N2 (163)	C5H4N (78)	c
C10H12N (146)	C8H8N (118)	IT
C10H12N (146)	C8H7N (117)	IT
C10H12N (146)	C6H6N (92)	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。

KOX00647p	163 C10H15N2	146 C10H12N	130 C9H8N	120 C8H10N	118 C8H8N	117 C8H7N	106 C7H8N	104 C7H6N	94 C6H8N	93 C6H7N	92 C6H6N	91 C7H7	84 C5H10N	81 C5H7N	80 C5H6N	78 C5H4N	67 C5H7	65 C5H5
163 C10H15N2
146 C10H12N	H3N
130 C9H8N	CH7N	CH4
120 C8H10N	C2H5N	C2H2
118 C8H8N	C2H7N	C2H4	C	H2
117 C8H7N	C2H8N	C2H5	CH	H3	H
106 C7H8N	C3H7N	C3H4	C2	CH2	C
104 C7H6N	C3H9N	C3H6	C2H2	CH4	CH2	CH	H2
94 C6H8N	C4H7N	C4H4	C3	C2H2	C2		C
93 C6H7N	C4H8N	C4H5	C3H	C2H3	C2H	C2	CH		H
92 C6H6N	C4H9N	C4H6	C3H2	C2H4	C2H2	C2H	CH2	C	H2	H
91 C7H7	C3H8N2	C3H5N	C2HN	CH3N	CHN	CN	HN
84 C5H10N	C5H5N	C5H2		C3
81 C5H7N	C5H8N	C5H5	C4H	C3H3	C3H	C3	C2H		CH	C			H3
80 C5H6N	C5H9N	C5H6	C4H2	C3H4	C3H2	C3H	C2H2	C2	CH2	CH	C		H4	H
78 C5H4N	C5H11N	C5H8	C4H4	C3H6	C3H4	C3H3	C2H4	C2H2	CH4	CH3	CH2		H6	H3	H2
67 C5H7	C5H8N2	C5H5N	C4HN	C3H3N	C3HN	C3N	C2HN		CHN	CN		C2	H3N	N
65 C5H5	C5H10N2	C5H7N	C4H3N	C3H5N	C3H3N	C3H2N	C2H3N	C2HN	CH3N	CH2N	CHN	C2H2	H5N	H2N	HN		H2

(pos/neg)<<First Page   (pos/neg)<Previous Page

Next Page>(pos/neg)   Last Page>>(pos/neg)