Ojima:PR100806n

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
V021+ Score:5.13 T126+ Score:5.13 T041+ Score:5.13 P070+ Score:5.13 N028+ Score:5.13 A137+ Score:5.13 E033+ Score:5.13 C063+ 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。

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Page list for each fragment
Pages Related to Peak C8H7O2:   C063+  E033+  A137+  N028+  P070+  T041+  T126+  V021+

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。

PR100806n	449 C21H21O11	431 C21H19O10	287 C15H11O6	269 C15H9O5	151 C7H3O4	135 C8H7O2	134 C8H6O2	123 C6H3O3	107 C6H3O2
449 C21H21O11
431 C21H19O10	H2O
287 C15H11O6	C6H10O5	C6H8O4
269 C15H9O5	C6H12O6	C6H10O5	H2O
151 C7H3O4	C14H18O7	C14H16O6	C8H8O2	C8H6O
135 C8H7O2	C13H14O9	C13H12O8	C7H4O4	C7H2O3
134 C8H6O2	C13H15O9	C13H13O8	C7H5O4	C7H3O3		H
123 C6H3O3	C15H18O8	C15H16O7	C9H8O3	C9H6O2	CO
107 C6H3O2	C15H18O9	C15H16O8	C9H8O4	C9H6O3	CO2	C2H4	C2H3	O

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