Ojima:KOX00090p

General Index

All Molecules KOX PR PBX COX

Ion Frequency

Prec.-Product

Neutral Loss

Help

N-Acetylleucine

IDs and Links
MassBank	N-Acetylleucine
CAS	1188-21-2
Keio ID	A145+

Top 10 Similar Molecules of N-Acetylleucine

Ranking	About scoring
A145+ Score:32.21 E015+ Score:14.2 L057+ Score:13.39 N014+ Score:13.39 L003+ Score:13.39 I008+ Score:13.39 G071+ Score:13.39 A053+ Score:13.39 L006+ Score:10.38 P034+ Score:8.26	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 C8H16NO3:   A145+   Pages Related to Peak C8H14NO2:   A145+  E015+  S040+   Pages Related to Peak C6H14NO2:   A053+  A145+  G071+  I008+  L003+  N014+  L057+  T022+   Pages Related to Peak C7H14NO:   A145+  L006+   Pages Related to Peak C5H12N:   A053+  A145+  B018+  E015+  G071+  I008+  L003+  L006+  L007+  N014+  P032+  P122+  T112+  A060+  B040+  C032+  C044+  G069+  L034+  L057+  P034+  P074+  P192+   Pages Related to Peak C5H9:   A053+  A138+  A145+  E015+  F025+  F034+  G071+  I008+  L003+  N014+  P067+  S013+  T112+  A061+  B090+  C032+  D178+  I063+  L057+  P034+  P206+  P209+  T108+  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。

KOX00090p	174 C8H16NO3	156 C8H14NO2	132 C6H14NO2	128 C7H14NO	86 C5H12N	69 C5H9
174 C8H16NO3
156 C8H14NO2	H2O
132 C6H14NO2	C2H2O	C2
128 C7H14NO	CH2O2	CO
86 C5H12N	C3H4O3	C3H2O2	CH2O2	C2H2O
69 C5H9	C3H7NO3	C3H5NO2	CH5NO2	C2H5NO	H3N

(pos/neg)<<First Page   (pos/neg)<Previous Page

Next Page>(pos/neg)   Last Page>>(pos/neg)