Ojima:KOX00432n

General Index

All Molecules KOX PR PBX COX

Ion Frequency

Prec.-Product

Neutral Loss

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Melatonin

IDs and Links
MassBank	Melatonin
CAS	73-31-4
Keio ID	M053-

Top 10 Similar Molecules of Melatonin

Ranking	About scoring
M078+ Score:6.63 A166+ Score:5.94 M024+ Score:5.94 D037+ Score:5.94	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。

Links

Page list for each fragment
Pages Related to Peak C9H7NO:   M078+   Pages Related to Peak C2H4NO:   D037+  M024+  A166+

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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。

KOX00432n	231 C13H15N2O2	216 C12H12N2O2	145 C9H7NO	144 C9H6NO	58 C2H4NO
231 C13H15N2O2
216 C12H12N2O2	CH3
145 C9H7NO	C4H8NO	C3H5NO
144 C9H6NO	C4H9NO	C3H6NO	H
58 C2H4NO	C11H11NO	C10H8NO	C7H3	C7H2

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