Ojima:PR100039p

General Index

All Molecules KOX PR PBX COX

Ion Frequency

Prec.-Product

Neutral Loss

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7-Hydroxy-4-methylcoumarin

IDs and Links
MassBank	7-Hydroxy-4-methylcoumarin
CAS	90-33-5
Keio ID

Top 10 Similar Molecules of 7-Hydroxy-4-methylcoumarin

Ranking	About scoring
T008+ Score:20.36 A080+ Score:20.36 P002+ Score:18.72 A067+ Score:18.72 M167+ Score:18.55 D039+ Score:18.55 S040+ Score:16.05 P047+ Score:15.28 D180+ Score:15.28 D178+ Score:15.28	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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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。

PR100039p	177 C10H9O3	121 C8H9O	105 C8H9	103 C8H7	93 C7H9	91 C7H7	79 C6H7	77 C6H5
177 C10H9O3
121 C8H9O	C2O2
105 C8H9	C2O3	O
103 C8H7	C2H2O3	H2O	H2
93 C7H9	C3O3	CO	C
91 C7H7	C3H2O3	CH2O	CH2	C	H2
79 C6H7	C4H2O3	C2H2O	C2H2	C2	CH2	C
77 C6H5	C4H4O3	C2H4O	C2H4	C2H2	CH4	CH2	H2

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