Ojima:KOX00383n

General Index

All Molecules KOX PR PBX COX

Ion Frequency

Prec.-Product

Neutral Loss

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2-Isopropylmalate

IDs and Links
MassBank	2-Isopropylmalate
CAS
Keio ID	I048-

Top 10 Similar Molecules of 2-Isopropylmalate

Ranking	About scoring
H073+ Score:6.64 G006+ Score:5.94 B090+ Score:5.94 A224+ Score:5.94 G018+ Score:5.94 F008+ Score:5.94 A007+ Score:5.94 A155+ Score:5.54 O016+ Score:5.54 M011+ Score:5.54	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 C6H9O3:   F034+  S049+  A064+  M011+  A155+   Pages Related to Peak C5H7O3:   A007+  G018+  G006+   Pages Related to Peak C6H9O2:   A050+  D064+  P032+  D106+  O016+   Pages Related to Peak C5H9O:   H073+   Pages Related to Peak C4H7O:   F008+  A224+  B090+

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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。

KOX00383n	175 C7H11O5	131 C6H11O3	129 C6H9O3	115 C5H7O3	113 C6H9O2	85 C5H9O	71 C4H7O	69 C3HO2	59 C2H3O2	45 CHO2
175 C7H11O5
131 C6H11O3	CO2
129 C6H9O3	CH2O2	H2
115 C5H7O3	C2H4O2	CH4	CH2
113 C6H9O2	CH2O3	H2O	O
85 C5H9O	C2H2O4	CH2O2	CO2		CO
71 C4H7O	C3H4O4	C2H4O2	C2H2O2	CO2	C2H2O	CH2
69 C3HO2	C4H10O3	C3H10O	C3H8O	C2H6O	C3H8
59 C2H3O2	C5H8O3	C4H8O	C4H6O	C3H4O	C4H6
45 CHO2	C6H10O3	C5H10O	C5H8O	C4H6O	C5H8			C2	CH2

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