Ojima:KOX00598n

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3,3,5-Triiodothyronine

IDs and Links
MassBank	3,3,5-Triiodothyronine
CAS	6893-02-3
Keio ID	T040-

Top 10 Similar Molecules of 3,3,5-Triiodothyronine

Ranking	About scoring
	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。

KOX00598n	650 C15H11I3NO4	633 C15H10I3NO3	577 C13H8I3O2	523 C15H11I2NO4	449 C13H7I2O2	127 I	72 C2H2NO2
650 C15H11I3NO4
633 C15H10I3NO3	HO
577 C13H8I3O2	C2H3NO2	C2H2NO
523 C15H11I2NO4	I
449 C13H7I2O2	C2H4INO2	C2H3INO	HI	C2H4NO2
127 I	C15H11I2NO4	C15H10I2NO3	C13H8I2O2	C15H11INO4	C13H7IO2
72 C2H2NO2	C13H9I3O2	C13H8I3O		C13H9I2O2

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