MassBank:KOX00873p

General Index

All Molecules KOX PR PBX COX

Ion Frequency

Prec.-Product

Neutral Loss

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Trientine

IDs and Links
MassBank	Trientine
CAS	112-24-3
Keio ID	T021+

Top 10 Similar Molecules of Trientine

Ranking	About scoring
KOX00890p Score:10.06 KOX00648p Score:10.06 KOX00827p Score:9.77 KOX00679p Score:9.77 KOX00024p Score:9.77 KOX00903p Score:5.13 KOX00878p Score:5.13 KOX00783p Score:5.13 KOX00726p Score:5.13 KOX00584p Score:5.13	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 C6H13N2:   KOX00648p  KOX00890p   Pages Related to Peak C4H11N2:   KOX00024p  KOX00679p  KOX00827p   Pages Related to Peak C4H8N:   KOX00024p  KOX00029p  KOX00064p  KOX00138p  KOX00279p  KOX00306p  KOX00364p  KOX00398p  KOX00440p  KOX00474p  KOX00478p  KOX00487p  KOX00512p  KOX00635p  KOX00638p  KOX00648p  KOX00652p  KOX00655p  KOX00676p  KOX00679p  KOX00698p  KOX00736p  KOX00743p  KOX00752p  KOX00818p  KOX00827p  KOX00830p  KOX00838p  KOX00848p  KOX00874p  KOX00890p  KOX00912p   Pages Related to Peak C2H6N:   KOX00008p  KOX00010p  KOX00560p  KOX00584p  KOX00726p  KOX00783p  KOX00878p  KOX00903p

Annotations

Precursor	Product	Comments
C6H19N4 (147)	C6H16N3 (130)	b
C6H19N4 (147)	C4H11N2 (87)	a
C6H19N4 (147)	C2H6N (44)	x

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。

KOX00873p	147 C6H19N4	130 C6H16N3	113 C6H13N2	87 C4H11N2	70 C4H8N	44 C2H6N
147 C6H19N4
130 C6H16N3	H3N
113 C6H13N2	H6N2	H3N
87 C4H11N2	C2H8N2	C2H5N	C2H2
70 C4H8N	C2H11N3	C2H8N2	C2H5N	H3N
44 C2H6N	C4H13N3	C4H10N2	C4H7N	C2H5N	C2H2

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