Ojima:KOX00389n

General Index

All Molecules KOX PR PBX COX

Ion Frequency

Prec.-Product

Neutral Loss

Help

150px
2-Oxoadipate

IDs and Links
MassBank	2-Oxoadipate
CAS	3184-35-8
Keio ID	K009-

Top 10 Similar Molecules of 2-Oxoadipate

Ranking	About scoring
F025+ Score:11.89 A007+ Score:9.75 A194+ Score:9.05 G032+ Score:9.05 A002+ Score:9.05 G006+ Score:5.94 D083+ Score:5.94 G019+ Score:5.94 G018+ Score:5.94 A059+ Score:5.94	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 C5H7O3:   A007+  G018+  G006+   Pages Related to Peak C5H5O3:   A059+  G019+  D083+   Pages Related to Peak C4H3O3:   F025+   Pages Related to Peak C4H7O2:   A002+  A048+  F025+  G032+  A060+  A194+  C220+   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。

KOX00389n	159 C6H7O5	115 C5H7O3	113 C5H5O3	99 C4H3O3	87 C4H7O2	69 C4H5O	59 C2H3O2	45 CHO2
159 C6H7O5
115 C5H7O3	CO2
113 C5H5O3	CH2O2	H2
99 C4H3O3	C2H4O2	CH4	CH2
87 C4H7O2	C2O3	CO
69 C4H5O	C2H2O4	CH2O2	CO2		H2O
59 C2H3O2	C4H4O3	C3H4O	C3H2O	C2O	C2H4
45 CHO2	C5H6O3	C4H6O	C4H4O	C3H2O	C3H6		CH2

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

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