Ojima:PR100455p

General Index

All Molecules KOX PR PBX COX

Ion Frequency

Prec.-Product

Neutral Loss

Help

Petunidin-3-O-beta-glucopyranoside

IDs and Links
MassBank	Petunidin-3-O-beta-glucopyranoside
CAS	71991-88-3
Keio ID

Top 10 Similar Molecules of Petunidin-3-O-beta-glucopyranoside

Ranking	About scoring
	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

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。

PR100455p	479 C22H23O12	317 C16H13O7	302 C15H10O7	274 C14H10O6	245 C13H9O5	217 C12H9O4	203 C11H7O4
479 C22H23O12
317 C16H13O7	C6H10O5
302 C15H10O7	C7H13O5	CH3
274 C14H10O6	C8H13O6	C2H3O	CO
245 C13H9O5	C9H14O7	C3H4O2	C2HO2	CHO
217 C12H9O4	C10H14O8	C4H4O3	C3HO3	C2HO2	CO
203 C11H7O4	C11H16O8	C5H6O3	C4H3O3	C3H3O2	C2H2O	CH2

(pos/neg)<<First Page   (pos/neg)<Previous Page

Next Page>(pos/neg)   Last Page>>(pos/neg)