Ojima:KNA00657n

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
P028+ Score:5.72 P029+ Score:5.72 P007+ Score:5.72 D017+ Score:5.72	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 C3H6O6P:   D017+  P007+  P029+  P028+

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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。

KNA00657n	229 C5H10O8P	211 C5H8O7P	193 C5H6O6P	169 C3H6O6P	139 C2H4O5P	97 H2O4P	79 O3P
229 C5H10O8P
211 C5H8O7P	H2O
193 C5H6O6P	H4O2	H2O
169 C3H6O6P	C2H4O2	C2H2O	C2
139 C2H4O5P	C3H6O3	C3H4O2	C3H2O	CH2O
97 H2O4P	C5H8O4	C5H6O3	C5H4O2	C3H4O2	C2H2O
79 O3P	C5H10O5	C5H8O4	C5H6O3	C3H6O3	C2H4O2	H2O

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