MassBank:KOX00872p

General Index

All Molecules KOX PR PBX COX

Ion Frequency

Prec.-Product

Neutral Loss

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Tyramine

IDs and Links
MassBank	Tyramine
CAS	51-67-2
Keio ID	T008+

Top 10 Similar Molecules of Tyramine

Ranking	About scoring
KOX00485p Score:20.92 KOX00649p Score:20.7 KOX00879p Score:19.79 KOX00797p Score:19.79 KOX00865p Score:19.02 KOX00645p Score:16.92 KOX00878p Score:16.73 KOX00604p Score:16.73 KOX00811p Score:16.5 KOX00807p Score:15.89	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
C8H12NO (138)	C8H9O (121)	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。

KOX00872p	138 C8H12NO	121 C8H9O	104 C7H6N	103 C8H7	93 C7H9	91 C7H7	77 C6H5	65 C5H5	51 C4H3
138 C8H12NO
121 C8H9O	H3N
104 C7H6N	CH6O
103 C8H7	H5NO	H2O
93 C7H9	CH3NO	CO
91 C7H7	CH5NO	CH2O		C	H2
77 C6H5	C2H7NO	C2H4O	CHN	C2H2	CH4	CH2
65 C5H5	C3H7NO	C3H4O	C2HN	C3H2	C2H4	C2H2	C
51 C4H3	C4H9NO	C4H6O	C3H3N	C4H4	C3H6	C3H4	C2H2	CH2

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