Ojima:PR100727n

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All Molecules KOX PR PBX COX

Ion Frequency

Prec.-Product

Neutral Loss

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D-(-)-Quinic acid

IDs and Links
MassBank	D-(-)-Quinic acid
CAS	77-95-2
Keio ID

Top 10 Similar Molecules of D-(-)-Quinic acid

[show] Ranking	About scoring
S041+ Score:5.02 P079+ Score:5.02 N063+ Score:5.02 K005+ Score:5.02 C047+ Score:5.02 A114+ Score:5.02 T003+ Score:5.02 H027+ Score:5.02 D128+ Score:5.02 A204+ Score:4.03	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

[show] Page list for each fragment
Pages Related to Peak C6H5O:   D128+  H027+  T003+  A114+  C047+  K005+  N063+  P079+  S041+   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+

Annotations

Precursor	Product	Comments
(0)	(0)	KOX00543

Precursor-Product Relationship

[show] 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。

[hide] PR100727n	191 C7H11O6	93 C6H5O	85 C4H5O2
191 C7H11O6
93 C6H5O	CH6O5
85 C4H5O2	C3H6O4

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