Ojima:KOX00870p

General Index

All Molecules KOX PR PBX COX

Ion Frequency

Prec.-Product

Neutral Loss

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Synephrine

IDs and Links
MassBank	Synephrine
CAS	614-35-7
Keio ID	S058+

Top 10 Similar Molecules of Synephrine

Ranking	About scoring
S058+ Score:42.76 M167+ Score:36.15 P059+ Score:33.17 E013+ Score:26.01 E033+ Score:24.58 N028+ Score:21.78 M127+ Score:20.76 T002+ Score:20.68 D046+ Score:20.68 T032+ Score:17.64	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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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。

KOX00870p	168 C9H14NO2	150 C9H12NO	135 C8H9NO	134 C8H8NO	121 C8H9O	119 C8H7O	107 C7H7O	91 C7H7	79 C6H7	77 C6H5	65 C5H5	51 C4H3
168 C9H14NO2
150 C9H12NO	H2O
135 C8H9NO	CH5O	CH3
134 C8H8NO	CH6O	CH4	H
121 C8H9O	CH5NO	CH3N	N
119 C8H7O	CH7NO	CH5N	H2N	HN	H2
107 C7H7O	C2H7NO	C2H5N	CH2N	CHN	CH2	C
91 C7H7	C2H7NO2	C2H5NO	CH2NO	CHNO	CH2O	CO	O
79 C6H7	C3H7NO2	C3H5NO	C2H2NO	C2HNO	C2H2O	C2O	CO	C
77 C6H5	C3H9NO2	C3H7NO	C2H4NO	C2H3NO	C2H4O	C2H2O	CH2O	CH2	H2
65 C5H5	C4H9NO2	C4H7NO	C3H4NO	C3H3NO	C3H4O	C3H2O	C2H2O	C2H2	CH2	C
51 C4H3	C5H11NO2	C5H9NO	C4H6NO	C4H5NO	C4H6O	C4H4O	C3H4O	C3H4	C2H4	C2H2	CH2

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