Ojima: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
T021+ Score:33.77 T122+ Score:9.74 A069+ Score:9.74 P046+ Score:9.52 B040+ Score:9.52 A032+ Score:9.52 A155+ Score:5.02 T030+ Score:5.02 M034+ Score:5.02 E023+ Score:5.02	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 C6H19N4:   T021+   Pages Related to Peak C6H16N3:   T021+   Pages Related to Peak C6H13N2:   A069+  T021+  T122+   Pages Related to Peak C4H11N2:   A032+  B040+  P046+  T021+   Pages Related to Peak C4H8N:   A032+  A039+  A110+  C013+  G037+  G117+  I008+  L007+  M067+  O003+  O009+  P003+  P055+  Z003+  A036+  A069+  A103+  A112+  B026+  B040+  D033+  G021+  H003+  H097+  O005+  P046+  P054+  P074+  P105+  T021+  T022+  T122+  N044+   Pages Related to Peak C2H6N:   A011+  A015+  S014+  T004+  E023+  M034+  T021+  T030+  A155+

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。

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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