Ojima:KOX00485p

General Index

All Molecules KOX PR PBX COX

Ion Frequency

Prec.-Product

Neutral Loss

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Phe

IDs and Links
MassBank	Phe
CAS	63-91-2
Keio ID	P002+

Top 10 Similar Molecules of Phe

Ranking	About scoring
P002+ Score:41.92 A067+ Score:29.37 E033+ Score:26.39 T008+ Score:20.73 A061+ Score:20.67 B018+ Score:19.75 M167+ Score:19.7 N016+ Score:17.46 D087+ Score:16.77 P047+ Score:16.43	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。

KOX00485p	166 C9H12NO2	131 C9H7O	120 C8H10N	103 C8H7	93 C7H9	91 C7H7	79 C6H7	77 C6H5	65 C5H5	51 C4H3
166 C9H12NO2
131 C9H7O	H5NO
120 C8H10N	CH2O2
103 C8H7	CH5NO2	CO	H3N
93 C7H9	C2H3NO2		CHN
91 C7H7	C2H5NO2	C2O	CH3N	C	H2
79 C6H7	C3H5NO2	C3O	C2H3N	C2	CH2	C
77 C6H5	C3H7NO2	C3H2O	C2H5N	C2H2	CH4	CH2	H2
65 C5H5	C4H7NO2	C4H2O	C3H5N	C3H2	C2H4	C2H2	CH2	C
51 C4H3	C5H9NO2	C5H4O	C4H7N	C4H4	C3H6	C3H4	C2H4	C2H2	CH2

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