Ojima:KNA00573n

General Index

All Molecules KOX PR PBX COX

Ion Frequency

Prec.-Product

Neutral Loss

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IDs and Links
MassBank	[1]
CAS
Keio ID

Top 10 Similar Molecules of

Ranking	About scoring
T032+ Score:9.81 A226+ Score:9.81 T002+ Score:9.81 L007+ Score:9.81 H050+ Score:6.63 I050+ Score:6.23 C063+ Score:6.23 K004+ Score:5.25 C043+ Score:5.25 A130+ Score:5.25	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 C9H10NO3:   H050+   Pages Related to Peak C9H7O3:   C063+  I050+   Pages Related to Peak C8H10NO:   A130+  L007+  T002+  A226+  C043+  K004+  T032+   Pages Related to Peak C8H7O:   D046+  E033+  L007+  T002+  A137+  A226+  D185+  E013+  P070+  Q001+  S058+  T032+  T041+  T044+  V021+   Pages Related to Peak C6H5O:   D128+  H027+  T003+  A114+  C047+  K005+  N063+  P079+  S041+

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。

./lua: /tmp/mw_ex_lua_dMyBlN:33: attempt to compare number with nil Illegal ion order (check mass!): H106 < C6H5O

KNA00573n	180 C9H10NO3	163 C9H7O3	136 C8H10NO	119 C8H7O	10 H106	93 C6H5O	74 H74	72 C2H2NO2
180 C9H10NO3
163 C9H7O3	H3N
136 C8H10NO	CO2
119 C8H7O	CH3NO2	CO2	H3N
10 H106 (pos/neg)<<First Page   (pos/neg)<Previous Page Next Page>(pos/neg)   Last Page>>(pos/neg)