Ojima:PR100251p

General Index

All Molecules KOX PR PBX COX

Ion Frequency

Prec.-Product

Neutral Loss

Help

Puerarin

IDs and Links
MassBank	Puerarin
CAS	3681-99-0
Keio ID

Top 10 Similar Molecules of Puerarin

Ranking	About scoring
D106+ Score:19.52 D064+ 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 C21H19O8:   D106+   Pages Related to Peak C21H17O7:   D106+   Pages Related to Peak C19H13O5:   D064+  D106+

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。

PR100251p	417 C21H21O9	399 C21H19O8	381 C21H17O7	351 C20H15O6	321 C19H13O5	307 C19H15O4	297 C17H13O5	268 C16H12O4	267 C16H11O4	239 C15H11O3
417 C21H21O9
399 C21H19O8	H2O
381 C21H17O7	H4O2	H2O
351 C20H15O6	CH6O3	CH4O2	CH2O
321 C19H13O5	C2H8O4	C2H6O3	C2H4O2	CH2O
307 C19H15O4	C2H6O5	C2H4O4	C2H2O3	CO2
297 C17H13O5	C4H8O4	C4H6O3	C4H4O2	C3H2O	C2
268 C16H12O4	C5H9O5	C5H7O4	C5H5O3	C4H3O2	C3HO	C3H3	CHO
267 C16H11O4	C5H10O5	C5H8O4	C5H6O3	C4H4O2	C3H2O	C3H4	CH2O	H
239 C15H11O3	C6H10O6	C6H8O5	C6H6O4	C5H4O3	C4H2O2	C4H4O	C2H2O2	CHO	CO

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

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