Ojima:KOX00159n

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Chlorogenate

IDs and Links
MassBank	Chlorogenate
CAS	327-97-9
Keio ID	C063-

Top 10 Similar Molecules of Chlorogenate

Ranking	About scoring
G062+ Score:6.23 A018+ Score:6.23 V021+ Score:5.13 T126+ Score:5.13 T041+ Score:5.13 P070+ Score:5.13 N028+ Score:5.13 A137+ Score:5.13 E033+ Score:5.13 C063+ Score:5.13	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 C9H7O4:   A018+  G062+   Pages Related to Peak C8H7O2:   C063+  E033+  A137+  N028+  P070+  T041+  T126+  V021+   Pages Related to Peak C4H5O2:   A007+  A031+  A059+  E005+  G003+  G005+  G019+  G020+  G043+  G061+  G065+  M067+  M080+  P067+  S049+  A143+  C041+  D038+  D083+  E056+  G046+  G051+  M011+  M081+  M082+  A204+

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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。

KOX00159n	353 C16H17O9	191 C7H11O6	179 C9H7O4	173 C7H9O5	135 C8H7O2	85 C4H5O2
353 C16H17O9
191 C7H11O6	C9H6O3
179 C9H7O4	C7H10O5
173 C7H9O5	C9H8O4	H2O
135 C8H7O2	C8H10O7		CO2
85 C4H5O2	C12H12O7	C3H6O4	C5H2O2	C3H4O3	C4H2

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