Ojima:PR100450p

General Index

All Molecules KOX PR PBX COX

Ion Frequency

Prec.-Product

Neutral Loss

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Petunidin

IDs and Links
MassBank	Petunidin
CAS	13270-60-5
Keio ID

Top 10 Similar Molecules of Petunidin

Ranking	About scoring
G062+ Score:6.23 A018+ 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。

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Page list for each fragment
Pages Related to Peak C7H5O2:   A018+  G062+

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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。

PR100450p	317 C16H13O7	285 C15H9O6	257 C14H9O5	225 C14H9O3	209 C13H5O3	207 C10H7O5	191 C9H3O5	177 C9H5O4	121 C7H5O2
317 C16H13O7
285 C15H9O6	CH4O
257 C14H9O5	C2H4O2	CO
225 C14H9O3	C2H4O4	CO3	O2
209 C13H5O3	C3H8O4	C2H4O3	CH4O2	CH4
207 C10H7O5	C6H6O2	C5H2O	C4H2
191 C9H3O5	C7H10O2	C6H6O	C5H6			CH4
177 C9H5O4	C7H8O3	C6H4O2	C5H4O			CH2O
121 C7H5O2	C9H8O5	C8H4O4	C7H4O3	C7H4O	C6O	C3H2O3		C2O2

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