Ojima:PR101056p

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All Molecules KOX PR PBX COX

Ion Frequency

Prec.-Product

Neutral Loss

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1-O-b-D-glucopyranosyl sinapate

IDs and Links
MassBank	1-O-b-D-glucopyranosyl sinapate
CAS	14364-09-1
Keio ID

Top 10 Similar Molecules of 1-O-b-D-glucopyranosyl sinapate

Ranking	About scoring
M080+ Score:6.63 A194+ Score:6.23 P122+ Score:6.23 D057+ Score:6.23 A131+ Score:6.23	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 C4H9O3:   P122+  A194+   Pages Related to Peak C3H9O3:   A131+  D057+   Pages Related to Peak C3H7O3:   M080+

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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。

PR101056p	387 C17H23O10	121 C4H9O4	119 C4H7O4	105 C4H9O3	93 C3H9O3	91 C3H7O3
387 C17H23O10
121 C4H9O4	C13H14O6
119 C4H7O4	C13H16O6	H2
105 C4H9O3	C13H14O7	O
93 C3H9O3	C14H14O7	CO		C
91 C3H7O3	C14H16O7	CH2O	CO	CH2	H2

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