Ojima:PR100472p

General Index

All Molecules KOX PR PBX COX

Ion Frequency

Prec.-Product

Neutral Loss

Help

Scopoletin

IDs and Links
MassBank	Scopoletin
CAS	92-61-5
Keio ID

Top 10 Similar Molecules of Scopoletin

Ranking	About scoring
T002+ Score:8.89 P059+ Score:8.89 B026+ Score:8.6 B009+ Score:8.6 X004+ Score:8.6 T060+ Score:8.2 T032+ Score:8.2 M169+ Score:8.2 M066+ Score:8.2 E013+ Score:8.2	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 C9H9O3:   L007+  T002+   Pages Related to Peak C8H9O2:   D046+  D185+  E013+  M169+  T032+   Pages Related to Peak C7H5O:   X004+  B009+  B026+   Pages Related to Peak C6H6O:   I050+  P059+   Pages Related to Peak C5H5O:   B019+  D055+  F008+  F014+  R041+  G021+   Pages Related to Peak C6H5:   A010+  A043+  A050+  A053+  A067+  A110+  A130+  B007+  B015+  B018+  B020+  D046+  D051+  D166+  E012+  E033+  H029+  H139+  I015+  I019+  I022+  I025+  I030+  I038+  M037+  M040+  M053+  M078+  M127+  N018+  P002+  P014+  P033+  P053+  P059+  P113+  S013+  T002+  T003+  T054+  T112+  X004+  A035+  A036+  A054+  A061+  A064+  A080+  B004+  B009+  B011+  B013+  B026+  C172+  D032+  D039+  D061+  D087+  D178+  D180+  D185+  E013+  F016+  G041+  H045+  I063+  I067+  K004+  K005+  L027+  L031+  M039+  M066+  M082+  M101+  M142+  M150+  M167+  M169+  M172+  N016+  N028+  N067+  O007+  P036+  P047+  P054+  P057+  P061+  P079+  Q001+  Q008+  S040+  S041+  S058+  T008+  T024+  T028+  T030+  T031+  T032+  T060+  T126+  D030+  A155+  N044+   Pages Related to Peak C5H6:   A054+  D044+  M066+  P056+  T060+

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。

PR100472p	193 C10H9O4	178 C9H6O4	165 C9H9O3	150 C8H6O3	137 C8H9O2	133 C8H5O2	122 C7H6O2	105 C7H5O	94 C6H6O	81 C5H5O	77 C6H5	66 C5H6
193 C10H9O4
178 C9H6O4	CH3
165 C9H9O3	CO
150 C8H6O3	C2H3O	CO	CH3
137 C8H9O2	C2O2		CO
133 C8H5O2	C2H4O2	CHO2	CH4O	HO	H4
122 C7H6O2	C3H3O2	C2O2	C2H3O	CO	CH3
105 C7H5O	C3H4O3	C2HO3	C2H4O2	CHO2	CH4O	CO	HO
94 C6H6O	C4H3O3	C3O3	C3H3O2	C2O2	C2H3O		CO
81 C5H5O	C5H4O3	C4HO3	C4H4O2	C3HO2	C3H4O	C3O	C2HO	C2	CH
77 C6H5	C4H4O4	C3HO4	C3H4O3	C2HO3	C2H4O2	C2O2	CHO2	CO	HO
66 C5H6	C5H3O4	C4O4	C4H3O3	C3O3	C3H3O2		C2O2		CO

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

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