Ojima:COX00022p

General Index

All Molecules KOX PR PBX COX

Ion Frequency

Prec.-Product

Neutral Loss

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Cromolyn

IDs and Links
MassBank	Cromolyn
CAS
Keio ID

Top 10 Similar Molecules of Cromolyn

Ranking	About scoring
I050+ Score:6.23 C063+ Score:6.23 T031+ Score:3.96 T030+ Score:3.96 T008+ Score:3.96 S040+ Score:3.96 Q008+ Score:3.96 P047+ Score:3.96 N016+ Score:3.96 M167+ Score:3.96	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。

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Page list for each fragment
Pages Related to Peak C9H7O3:   C063+  I050+   Pages Related to Peak C8H7:   A067+  B018+  I022+  I025+  I030+  I038+  M040+  M078+  P002+  T054+  A080+  A137+  D039+  D178+  D180+  E007+  G041+  H045+  I067+  M101+  M167+  N016+  P047+  Q008+  S040+  T008+  T030+  T031+

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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。

COX00022p	469 C23H17O11	451 C23H15O10	263 C13H11O6	245 C13H9O5	207 C10H7O5	163 C9H7O3	137 C7H5O3	103 C8H7
469 C23H17O11
451 C23H15O10	H2O
263 C13H11O6	C10H6O5	C10H4O4
245 C13H9O5	C10H8O6	C10H6O5	H2O
207 C10H7O5	C13H10O6	C13H8O5	C3H4O	C3H2
163 C9H7O3	C14H10O8	C14H8O7	C4H4O3	C4H2O2	CO2
137 C7H5O3	C16H12O8	C16H10O7	C6H6O3	C6H4O2	C3H2O2	C2H2
103 C8H7	C15H10O11	C15H8O10	C5H4O6	C5H2O5	C2O5	CO3

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