MassBank:KOX00645p

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All Molecules KOX PR PBX COX

Ion Frequency

Prec.-Product

Neutral Loss

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1-Adamantanamine

IDs and Links
MassBank	1-Adamantanamine
CAS	768-94-5
Keio ID	A061+

Top 10 Similar Molecules of 1-Adamantanamine

Ranking	About scoring
KOX00784p Score:21.79 KOX00770p Score:21.67 KOX00725p Score:21.36 KOX00485p Score:20.85 KOX00043p Score:17.51 KOX00298p Score:17.2 KOX00872p Score:16.92 KOX00719p Score:16.69 KOX00126p Score:16.65 KOX00558p Score:16.28	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
C10H18N (152)	C10H15 (135)	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。

KOX00645p	152 C10H18N	135 C10H15	107 C8H11	93 C7H9	91 C7H7	81 C6H9	79 C6H7	77 C6H5	69 C5H9	67 C5H7	65 C5H5	55 C4H7	51 C4H3
152 C10H18N
135 C10H15	H3N
107 C8H11	C2H7N	C2H4
93 C7H9	C3H9N	C3H6	CH2
91 C7H7	C3H11N	C3H8	CH4	H2
81 C6H9	C4H9N	C4H6	C2H2	C
79 C6H7	C4H11N	C4H8	C2H4	CH2	C	H2
77 C6H5	C4H13N	C4H10	C2H6	CH4	CH2	H4	H2
69 C5H9	C5H9N	C5H6	C3H2	C2		C
67 C5H7	C5H11N	C5H8	C3H4	C2H2	C2	CH2	C		H2
65 C5H5	C5H13N	C5H10	C3H6	C2H4	C2H2	CH4	CH2	C	H4	H2
55 C4H7	C6H11N	C6H8	C4H4	C3H2	C3	C2H2	C2		CH2	C
51 C4H3	C6H15N	C6H12	C4H8	C3H6	C3H4	C2H6	C2H4	C2H2	CH6	CH4	CH2	H4

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