Ojima:KOX00096n

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All Molecules KOX PR PBX COX

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3-Amino-3-(4-hydroxyphenyl)propionate

IDs and Links
MassBank	3-Amino-3-(4-hydroxyphenyl)propionate
CAS
Keio ID	A176-

Top 10 Similar Molecules of 3-Amino-3-(4-hydroxyphenyl)propionate

Ranking	About scoring
H050+ Score:15.06 T060+ Score:11.08 P079+ Score:11.08 K004+ Score:11.08 B011+ Score:11.08 I019+ Score:11.08 A043+ Score:11.08 A010+ Score:11.08 P190+ Score:8.42 B072+ Score:8.42	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。

KOX00096n	180 C9H10NO3	148 C9H8O2	120 C7H6NO	119 C8H7O	92 C6H6N	77 C6H5	59 C2H3O2
180 C9H10NO3
148 C9H8O2	H2NO
120 C7H6NO	C2H4O2
119 C8H7O	CH3NO2	CHO
92 C6H6N	C3H4O3		CO
77 C6H5	C3H5NO3	C3H3O2	CHNO	C2H2O	HN
59 C2H3O2	C7H7NO	C7H5

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