Ojima:KOX00305n

General Index

All Molecules KOX PR PBX COX

Ion Frequency

Prec.-Product

Neutral Loss

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TRH

IDs and Links
MassBank	TRH
CAS	24305-27-9
Keio ID	G117-

Top 10 Similar Molecules of TRH

Ranking	About scoring
U006+ Score:6.23 G071+ Score:6.23 P045+ Score:5.38 I017+ Score:5.38 F013+ Score:5.38 P094+ Score:5.38 N004+ Score:5.38 B019+ Score:5.38	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 C6H6NO2:   B019+  N004+  P094+  F013+  I017+  P045+   Pages Related to Peak C4H5N2O2:   G071+  U006+

Annotations

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。

KOX00305n	361 C16H21N6O4	247 C12H13N3O3	167 C7H7N2O3	124 C6H6NO2	113 C4H5N2O2	85 C3H5N2O
361 C16H21N6O4
247 C12H13N3O3	C4H8N3O
167 C7H7N2O3	C9H14N4O	C5H6N
124 C6H6NO2	C10H15N5O2	C6H7N2O	CHNO
113 C4H5N2O2	C12H16N4O2	C8H8NO	C3H2O
85 C3H5N2O	C13H16N4O3	C9H8NO2	C4H2O2		CO

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