Ojima:KOX00403n

General Index

All Molecules KOX PR PBX COX

Ion Frequency

Prec.-Product

Neutral Loss

Help

150px
Loganate

IDs and Links
MassBank	Loganate
CAS	22255-40-9
Keio ID	L043-

Top 10 Similar Molecules of Loganate

Ranking	About scoring
E015+ Score:12.18 D083+ Score:11.89 A059+ Score:11.89 V021+ Score:6.23 P028+ Score:6.23 M167+ Score:6.23 G019+ Score:5.94 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 C9H11O2:   M167+  V021+   Pages Related to Peak C5H5O3:   A059+  G019+  D083+   Pages Related to Peak C3H5O3:   E015+  P028+   Pages Related to Peak C3H3O2:   A059+  E015+  D083+   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。

KOX00403n	375 C16H23O10	213 C10H13O5	169 C9H13O3	151 C9H11O2	113 C5H5O3	89 C3H5O3	71 C3H3O2	69 C4H5O	59 C2H3O2
375 C16H23O10
213 C10H13O5	C6H10O5
169 C9H13O3	C7H10O7	CO2
151 C9H11O2	C7H12O8	CH2O3	H2O
113 C5H5O3	C11H18O7	C5H8O2	C4H8
89 C3H5O3	C13H18O7	C7H8O2	C6H8		C2
71 C3H3O2	C13H20O8	C7H10O3	C6H10O	C6H8	C2H2O	H2O
69 C4H5O	C12H18O9	C6H8O4	C5H8O2	C5H6O	CO2
59 C2H3O2	C14H20O8	C8H10O3	C7H10O	C7H8	C3H2O	CH2O	C

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

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