Ojima:KNA00577n

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
N028+ Score:21.64 T126+ Score:10.67 H050+ Score:10.56 P053+ Score:10.56 M127+ Score:10.56 G062+ Score:6.23 A018+ Score:6.23 F008+ Score:5.94 A191+ Score:5.94 V021+ 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 C9H7O4:   A018+  G062+   Pages Related to Peak C8H10NO2:   M127+  P053+  H050+  N028+  T126+   Pages Related to Peak C8H7O2:   C063+  E033+  A137+  N028+  P070+  T041+  T126+  V021+   Pages Related to Peak C8H8NO:   D056+  I050+  M127+  P053+  P113+  H050+  M167+  N028+  S058+   Pages Related to Peak C6H5O2:   A191+  F008+  N028+

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。

KNA00577n	196 C9H10NO4	179 C9H7O4	152 C8H10NO2	135 C8H7O2	134 C8H8NO	109 C6H5O2	72 H72
196 C9H10NO4
179 C9H7O4	H3N
152 C8H10NO2	CO2
135 C8H7O2	CH3NO2	CO2	H3N
134 C8H8NO	CH2O3		H2O
109 C6H5O2	C3H5NO2	C3H2O2	C2H5N	C2H2
72 H72

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

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