Ojima:KOX00515n

General Index

All Molecules KOX PR PBX COX

Ion Frequency

Prec.-Product

Neutral Loss

Help

150px
Pimelate

IDs and Links
MassBank	Pimelate
CAS	111-16-0
Keio ID	P063-

Top 10 Similar Molecules of Pimelate

Ranking	About scoring
L057+ Score:11.48 L003+ Score:11.48 A053+ Score:11.48 G062+ Score:9.05 S013+ Score:5.54 N014+ Score:5.54 Q001+ Score:5.25 B013+ Score:5.25 T002+ Score:5.25 P055+ Score:5.25	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 C6H11O2:   A053+  L003+  N014+  S013+  L057+   Pages Related to Peak C6H9O:   A053+  L003+  L057+   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。

KOX00515n	159 C7H11O4	115 C6H11O2	97 C6H9O	95 C6H7O	69 C4H5O	59 C2H3O2	45 CHO2
159 C7H11O4
115 C6H11O2	CO2
97 C6H9O	CH2O3	H2O
95 C6H7O	CH4O3	H4O	H2
69 C4H5O	C3H6O3	C2H6O	C2H4	C2H2
59 C2H3O2	C5H8O2	C4H8
45 CHO2	C6H10O2	C5H10				CH2

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

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