Ojima:MT000011n

General Index

All Molecules KOX PR PBX COX

Ion Frequency

Prec.-Product

Neutral Loss

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IDs and Links
MassBank	[1]
CAS
Keio ID

Top 10 Similar Molecules of

Ranking	About scoring
D083+ Score:27.4 A059+ Score:21.86 G019+ Score:15.92 G051+ Score:15.11 G046+ Score:15.11 M080+ Score:15.11 M081+ Score:9.57 A143+ Score:9.57 G020+ Score:9.57 D173+ Score:6.63	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 C6H11O5:   M080+  D083+  G046+  G051+  M081+   Pages Related to Peak C6H9O4:   G020+  M080+  A143+  G046+  G051+   Pages Related to Peak C5H7O4:   A059+  G019+  D083+   Pages Related to Peak C5H5O3:   A059+  G019+  D083+   Pages Related to Peak C4H5O3:   D173+   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+   Pages Related to Peak C3H3O2:   A059+  E015+  D083+

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。

MT000011n	163 C6H11O5	145 C6H9O4	131 C5H7O4	113 C5H5O3	101 C4H5O3	85 C4H5O2	71 C3H3O2
163 C6H11O5
145 C6H9O4	H2O
131 C5H7O4	CH4O	CH2
113 C5H5O3	CH6O2	CH4O	H2O
101 C4H5O3	C2H6O2	C2H4O	CH2O	C
85 C4H5O2	C2H6O3	C2H4O2	CH2O2	CO	O
71 C3H3O2	C3H8O3	C3H6O2	C2H4O2	C2H2O	CH2O	CH2

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