Ojima:PR100223p

総索引

分子リスト KOX PR PBX COX

イオン統計

前駆-生成イオン統計

中性脱離分子統計

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Apigenin

IDs and Links
MassBank	Apigenin
CAS	520-36-5
Keio ID

Top 10 Similar Molecules of Apigenin

Ranking	About scoring
C063+ Score:12.46 T044+ Score:7.83 T032+ Score:7.83 S058+ Score:7.83 Q001+ Score:7.83 P070+ Score:7.83 E013+ Score:7.83 D185+ Score:7.83 A226+ Score:7.83 A137+ Score:7.83	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 C9H7O3:   C063+  I050+   Pages Related to Peak C9H5O2:   C063+  H050+   Pages Related to Peak C7H5O2:   A018+  G062+   Pages Related to Peak C8H7O:   D046+  E033+  L007+  T002+  A137+  A226+  D185+  E013+  P070+  Q001+  S058+  T032+  T041+  T044+  V021+   Pages Related to Peak C7H7:   A067+  B015+  B018+  B020+  C040+  D046+  E033+  E034+  H027+  H139+  I025+  M040+  M053+  M127+  N018+  P002+  P059+  S013+  T002+  T003+  T054+  Z003+  A061+  A068+  A080+  A137+  A226+  B013+  C172+  D039+  D087+  D122+  D185+  E013+  F016+  G041+  H045+  K004+  L031+  M071+  M101+  M103+  M167+  M169+  M172+  P061+  P070+  P206+  Q001+  S058+  T008+  T024+  T030+  T031+  T032+  T044+  D030+   Pages Related to Peak C4H3O:   M115+

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。

PR100223p	271 C15H11O5	243 C14H11O4	163 C9H7O3	153 C7H5O4	145 C9H5O2	121 C7H5O2	119 C8H7O	91 C7H7	69 C3HO2	67 C4H3O
271 C15H11O5
243 C14H11O4	CO
163 C9H7O3	C6H4O2	C5H4O
153 C7H5O4	C8H6O	C7H6
145 C9H5O2	C6H6O3	C5H6O2	H2O
121 C7H5O2	C8H6O3	C7H6O2	C2H2O	O2	C2
119 C8H7O	C7H4O4	C6H4O3	CO2
91 C7H7	C8H4O5	C7H4O4	C2O3				CO
69 C3HO2	C12H10O3	C11H10O2	C6H6O	C4H4O2	C6H4	C4H4
67 C4H3O	C11H8O4	C10H8O3	C5H4O2	C3H2O3	C5H2O	C3H2O	C4H4

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