Ojima:KNA00492n

General Index

All Molecules KOX PR PBX COX

Ion Frequency

Prec.-Product

Neutral Loss

Help

150px

IDs and Links
MassBank	[1]
CAS
Keio ID

Top 10 Similar Molecules of

Ranking	About scoring
T015+ Score:15.44 T014+ Score:15.44 I014+ Score:11.66 D038+ Score:10 F025+ Score:6.23 M029+ Score:5.72 A204+ Score:3.77 S044+ Score:3.77 M082+ Score:3.77 M081+ Score:3.77	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 C5H7N2O2:   T014+  T015+  I014+   Pages Related to Peak C5H5N2O:   T014+  T015+  I014+  M029+   Pages Related to Peak C4H9N2O:   F025+  D038+   Pages Related to Peak C4H6NO:   A031+  A122+  A191+  E005+  F034+  G005+  G018+  G019+  G043+  G062+  G065+  G117+  L016+  M114+  O008+  P092+  R016+  T010+  T014+  T015+  T020+  D038+  D061+  D183+  E056+  G006+  G021+  G046+  G051+  M025+  M081+  M082+  S044+  A204+

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。

KNA00492n	145 C5H9N2O3	128 C5H6NO3	127 C5H7N2O2	109 C5H5N2O	101 C4H9N2O	84 C4H6NO
145 C5H9N2O3
128 C5H6NO3	H3N
127 C5H7N2O2	H2O
109 C5H5N2O	H4O2		H2O
101 C4H9N2O	CO2
84 C4H6NO	CH3NO2	CO2	CHNO		H3N

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

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