Ojima:HC100991p

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
G051+ Score:16.61 M080+ Score:16.61 T065+ Score:12.17 G046+ Score:11.07 G020+ Score:11.07 M081+ Score:5.53 D083+ Score:5.53 A143+ Score:5.53 F008+ Score:5.53	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 C12H21O10:   T065+   Pages Related to Peak C6H11O5:   M080+  D083+  G046+  G051+  M081+   Pages Related to Peak C6H9O4:   G020+  M080+  A143+  G046+  G051+   Pages Related to Peak C6H7O3:   F008+  G020+  M080+  T065+  G051+

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。

HC100991p	343 C12H23O11	325 C12H21O10	289 C12H17O8	163 C6H11O5	145 C6H9O4	127 C6H7O3
343 C12H23O11
325 C12H21O10	H2O
289 C12H17O8	H6O3	H4O2
163 C6H11O5	C6H12O6	C6H10O5	C6H6O3
145 C6H9O4	C6H14O7	C6H12O6	C6H8O4	H2O
127 C6H7O3	C6H16O8	C6H14O7	C6H10O5	H4O2	H2O

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