Ojima:KOX00284p

General Index

All Molecules KOX PR PBX COX

Ion Frequency

Prec.-Product

Neutral Loss

Help

Glycocholate

IDs and Links
MassBank	Glycocholate
CAS	475-31-0
Keio ID	G050+

Top 10 Similar Molecules of Glycocholate

Ranking	About scoring
G050+ Score:54.07 T043+ Score:24.93 G075+ Score:12.87 D037+ Score:5.54 G062+ Score:5.54 G037+ Score:5.54 G011+ Score:5.54 D030+ Score:3.27 V020+ Score:3.27 S003+ Score:3.27	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 C26H44NO6:   G050+   Pages Related to Peak C26H42NO5:   G050+   Pages Related to Peak C26H40NO4:   G050+   Pages Related to Peak C26H38NO3:   G050+   Pages Related to Peak C24H33O:   G050+  T043+   Pages Related to Peak C13H23O3:   G050+  T043+   Pages Related to Peak C13H21O2:   G050+  T043+   Pages Related to Peak C12H15:   G075+   Pages Related to Peak C12H13:   G075+  T043+   Pages Related to Peak C2H6NO2:   G011+  G037+  G050+  G062+  D037+   Pages Related to Peak C4H7:   A053+  A135+  A189+  A196+  B020+  E015+  G003+  G032+  G050+  H064+  H073+  I015+  I022+  L003+  L004+  M035+  M078+  N009+  N018+  O009+  P048+  S013+  V001+  Z002+  A051+  A061+  A112+  A203+  A225+  B001+  B010+  B026+  B090+  C114+  D078+  D082+  D183+  E008+  F016+  G021+  H097+  I039+  I063+  L027+  L031+  L057+  M011+  M039+  M110+  M115+  O005+  P035+  P054+  P206+  S003+  V020+  D030+

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。

KOX00284p	466 C26H44NO6	448 C26H42NO5	430 C26H40NO4	412 C26H38NO3	337 C24H33O	227 C13H23O3	209 C13H21O2	185 C14H17	183 C14H15	171 C13H15	169 C13H13	159 C12H15	157 C12H13	76 C2H6NO2	55 C4H7
466 C26H44NO6
448 C26H42NO5	H2O
430 C26H40NO4	H4O2	H2O
412 C26H38NO3	H6O3	H4O2	H2O
337 C24H33O	C2H11NO5	C2H9NO4	C2H7NO3	C2H5NO2
227 C13H23O3	C13H21NO3	C13H19NO2	C13H17NO	C13H15N
209 C13H21O2	C13H23NO4	C13H21NO3	C13H19NO2	C13H17NO		H2O
185 C14H17	C12H27NO6	C12H25NO5	C12H23NO4	C12H21NO3	C10H16O
183 C14H15	C12H29NO6	C12H27NO5	C12H25NO4	C12H23NO3	C10H18O			H2
171 C13H15	C13H29NO6	C13H27NO5	C13H25NO4	C13H23NO3	C11H18O	H8O3	H6O2	CH2	C
169 C13H13	C13H31NO6	C13H29NO5	C13H27NO4	C13H25NO3	C11H20O	H10O3	H8O2	CH4	CH2	H2
159 C12H15	C14H29NO6	C14H27NO5	C14H25NO4	C14H23NO3	C12H18O	CH8O3	CH6O2	C2H2	C2	C
157 C12H13	C14H31NO6	C14H29NO5	C14H27NO4	C14H25NO3	C12H20O	CH10O3	CH8O2	C2H4	C2H2	CH2	C	H2
76 C2H6NO2	C24H38O4	C24H36O3	C24H34O2	C24H32O
55 C4H7	C22H37NO6	C22H35NO5	C22H33NO4	C22H31NO3	C20H26O	C9H16O3	C9H14O2	C10H10	C10H8	C9H8	C9H6	C8H8	C8H6

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

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