MassBank:KOX00902p

General Index

All Molecules KOX PR PBX COX

Ion Frequency

Prec.-Product

Neutral Loss

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Albendazole

IDs and Links
MassBank	Albendazole
CAS	54965-21-8
Keio ID	A082+

Top 10 Similar Molecules of Albendazole

Ranking	About scoring
KOX00892p Score:3.92 KOX00886p Score:3.92 KOX00882p Score:3.92 KOX00865p Score:3.92 KOX00834p Score:3.92 KOX00828p Score:3.92 KOX00814p Score:3.92 KOX00807p Score:3.92 KOX00795p Score:3.92 KOX00784p Score:3.92	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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Annotations

Precursor	Product	Comments
C12H16N3O2S (266)	C11H12N3OS (234)	b
C11H12N3OS (234)	C8H6N3OS (192)	IT
C11H12N3OS (234)	C8H5N3OS (191)	IT
C11H12N3OS (234)	C8H5N3O (159)	IT
C8H6N3OS (192)	C8H5N3O (159)	IT

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。

KOX00902p	266 C12H16N3O2S	234 C11H12N3OS	192 C8H6N3OS	191 C8H5N3OS	159 C8H5N3O	79 C6H7
266 C12H16N3O2S
234 C11H12N3OS	CH4O
192 C8H6N3OS	C4H10O	C3H6
191 C8H5N3OS	C4H11O	C3H7	H
159 C8H5N3O	C4H11OS	C3H7S	HS	S
79 C6H7	C6H9N3O2S	C5H5N3OS

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