Ojima:KOX00158n

General Index

All Molecules KOX PR PBX COX

Ion Frequency

Prec.-Product

Neutral Loss

Help

150px
Cholate

IDs and Links
MassBank	Cholate
CAS	81-25-4
Keio ID	C061-

Top 10 Similar Molecules of Cholate

Ranking	About scoring
G062+ Score:9.06 Q001+ Score:5.25 B013+ Score:5.25 T002+ Score:5.25 P055+ Score:5.25 P033+ Score:5.25 H139+ Score:5.25 U006+ Score:3.8 P081+ Score:3.8 M110+ Score:3.8	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 C6H7O:   G062+  H139+  P033+  P055+  T002+  B013+  Q001+   Pages Related to Peak C4H5O:   A002+  A007+  A018+  A037+  A122+  A133+  A191+  G003+  G015+  G032+  G062+  G065+  H013+  M080+  O015+  P067+  P075+  R016+  S049+  T014+  A194+  C043+  D069+  G021+  G046+  G051+  M011+  M024+  M081+  M082+  M110+  P081+  U006+

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。

KOX00158n	407 C24H39O5	343 C23H35O2	325 C23H33O	251 C16H27O2	205 C14H21O	95 C6H7O	69 C4H5O
407 C24H39O5
343 C23H35O2	CH4O3
325 C23H33O	CH6O4	H2O
251 C16H27O2	C8H12O3	C7H8
205 C14H21O	C10H18O4	C9H14O	C9H12	C2H6O
95 C6H7O	C18H32O4	C17H28O	C17H26	C10H20O	C8H14
69 C4H5O	C20H34O4	C19H30O	C19H28	C12H22O	C10H16	C2H2

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

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