Ojima:PR100279p

General Index

All Molecules KOX PR PBX COX

Ion Frequency

Prec.-Product

Neutral Loss

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D-Sorbitol

IDs and Links
MassBank	D-Sorbitol
CAS	50-70-4
Keio ID

Top 10 Similar Molecules of D-Sorbitol

Ranking	About scoring
M011+ Score:25.55 S049+ Score:25.55 M110+ Score:10.03 T014+ Score:10.03 A194+ Score:9.05 G032+ Score:9.05 A002+ Score:9.05 M082+ Score:7.83 M081+ Score:7.83 G051+ Score:7.83	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 C6H11O4:   S049+  M011+   Pages Related to Peak C6H9O3:   F034+  S049+  A064+  M011+  A155+   Pages Related to Peak C6H7O2:   I015+  S049+  M011+   Pages Related to Peak C5H7O2:   T014+  M110+   Pages Related to Peak C4H7O2:   A002+  A048+  F025+  G032+  A060+  A194+  C220+   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 C5H7O:   A135+  A189+  U011+   Pages Related to Peak C4H5O:   A002+  A007+  A018+  A037+  A122+  A133+  A191+  G003+  G015+  G032+  G062+  G065+  H013+  M080+  O015+  P067+  P075+  R016+  S049+  T014+  A194+  C043+  D069+  G021+  G046+  G051+  M011+  M024+  M081+  M082+  M110+  P081+  U006+

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。

PR100279p	183 C6H15O6	147 C6H11O4	129 C6H9O3	111 C6H7O2	99 C5H7O2	87 C4H7O2	85 C4H5O2	83 C5H7O	69 C4H5O
183 C6H15O6
147 C6H11O4	H4O2
129 C6H9O3	H6O3	H2O
111 C6H7O2	H8O4	H4O2	H2O
99 C5H7O2	CH8O4	CH4O2	CH2O	C
87 C4H7O2	C2H8O4	C2H4O2	C2H2O	C2	C
85 C4H5O2	C2H10O4	C2H6O2	C2H4O	C2H2	CH2	H2
83 C5H7O	CH8O5	CH4O3	CH2O2	CO	O
69 C4H5O	C2H10O5	C2H6O3	C2H4O2	C2H2O	CH2O	H2O	O	CH2

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