Ojima:PR100359p

General Index

All Molecules KOX PR PBX COX

Ion Frequency

Prec.-Product

Neutral Loss

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Marein

IDs and Links
MassBank	Marein
CAS	535-96-6
Keio ID

Top 10 Similar Molecules of Marein

Ranking	About scoring
C063+ Score:17.6 H050+ Score:6.23 I050+ Score:6.23 G062+ Score:6.23 A018+ Score:6.23 V021+ Score:5.13 T126+ Score:5.13 T041+ Score:5.13 P070+ Score:5.13 N028+ Score:5.13	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 C9H7O4:   A018+  G062+   Pages Related to Peak C9H7O3:   C063+  I050+   Pages Related to Peak C9H5O2:   C063+  H050+   Pages Related to Peak C8H7O2:   C063+  E033+  A137+  N028+  P070+  T041+  T126+  V021+   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 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。

PR100359p	451 C21H23O11	289 C15H13O6	271 C15H11O5	179 C9H7O4	163 C9H7O3	153 C7H5O4	145 C9H5O2	135 C8H7O2	85 C4H5O2
451 C21H23O11
289 C15H13O6	C6H10O5
271 C15H11O5	C6H12O6	H2O
179 C9H7O4	C12H16O7	C6H6O2	C6H4O
163 C9H7O3	C12H16O8	C6H6O3	C6H4O2	O
153 C7H5O4	C14H18O7	C8H8O2	C8H6O	C2H2
145 C9H5O2	C12H18O9	C6H8O4	C6H6O3	H2O2	H2O
135 C8H7O2	C13H16O9	C7H6O4	C7H4O3	CO2	CO
85 C4H5O2	C17H18O9	C11H8O4	C11H6O3	C5H2O2	C5H2O	C3O2	C5	C4H2

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