Ojima:PR100485n

General Index

All Molecules KOX PR PBX COX

Ion Frequency

Prec.-Product

Neutral Loss

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(-)Shikimic acid

IDs and Links
MassBank	(-)Shikimic acid
CAS	138-59-0
Keio ID

Top 10 Similar Molecules of (-)Shikimic acid

Ranking	About scoring
M110+ Score:11.26 T014+ Score:11.26 M011+ Score:5.94 U011+ Score:5.94 S049+ Score:5.94 I015+ Score:5.94 A189+ Score:5.94 A135+ Score:5.94 S041+ Score:5.02 P079+ Score:5.02	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 C6H7O2:   I015+  S049+  M011+   Pages Related to Peak C5H7O2:   T014+  M110+   Pages Related to Peak C6H5O:   D128+  H027+  T003+  A114+  C047+  K005+  N063+  P079+  S041+   Pages Related to Peak C5H7O:   A135+  A189+  U011+   Pages Related to Peak C3H5O2:   A011+  A015+  A021+  C015+  D173+  P067+  T014+  A052+  M110+

Annotations

Precursor	Product	Comments
(0)	(0)	KOX00556

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。

PR100485n	173 C7H9O5	155 C7H7O4	137 C7H5O3	111 C6H7O2	99 C5H7O2	93 C6H5O	83 C5H7O	73 C3H5O2
173 C7H9O5
155 C7H7O4	H2O
137 C7H5O3	H4O2	H2O
111 C6H7O2	CH2O3	CO2
99 C5H7O2	C2H2O3	C2O2		C
93 C6H5O	CH4O4	CH2O3	CO2	H2O
83 C5H7O	C2H2O4	C2O3		CO	O
73 C3H5O2	C4H4O3	C4H2O2	C4O	C3H2	C2H2

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