Ojima:KO009201p

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
P070+ Score:53.44 A137+ Score:40.16 P071+ Score:5.94 M078+ Score:5.94 T003+ Score:5.72 P122+ Score:5.72 [[Ojima:C16H18N4O7S|]] Score:5.53 P002+ Score:5.53 A067+ Score:5.53 V021+ Score:4.55	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 C20H20NO5:   P070+   Pages Related to Peak C20H18NO4:   A137+  P070+  P071+   Pages Related to Peak C18H11O3:   A137+  P070+   Pages Related to Peak C17H11O2:   A137+  P070+   Pages Related to Peak C11H12NO3:   M078+  A137+  P070+   Pages Related to Peak C11H11NO2:   P070+   Pages Related to Peak C11H10NO2:   P122+  T003+  A137+  P070+   Pages Related to Peak C9H9O2:   A067+  P002+  A137+  P070+  [[Ojima:TestData_Bensulfuron-methyl|]]   Pages Related to Peak C8H7O:   D046+  E033+  L007+  T002+  A137+  A226+  D185+  E013+  P070+  Q001+  S058+  T032+  T041+  T044+  V021+

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。

KO009201p	354 C20H20NO5	336 C20H18NO4	275 C18H11O3	247 C17H11O2	206 C11H12NO3	189 C11H11NO2	188 C11H10NO2	149 C9H9O2	119 C8H7O
354 C20H20NO5
336 C20H18NO4	H2O
275 C18H11O3	C2H9NO2	C2H7NO
247 C17H11O2	C3H9NO3	C3H7NO2	CO
206 C11H12NO3	C9H8O2	C9H6O
189 C11H11NO2	C9H9O3	C9H7O2			HO
188 C11H10NO2	C9H10O3	C9H8O2			H2O	H
149 C9H9O2	C11H11NO3	C11H9NO2	C9H2O	C8H2	C2H3NO	C2H2N	C2HN
119 C8H7O	C12H13NO4	C12H11NO3	C10H4O2	C9H4O	C3H5NO2	C3H4NO	C3H3NO	CH2O

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