Ojima:MT000112n

General Index

All Molecules KOX PR PBX COX

Ion Frequency

Prec.-Product

Neutral Loss

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IDs and Links
MassBank	[1]
CAS
Keio ID

Top 10 Similar Molecules of

Ranking	About scoring
D083+ Score:17.84 A059+ Score:17.84 E015+ Score:12.18 G019+ Score:11.89 D173+ Score:6.64 P028+ Score:6.23	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 C5H7O4:   A059+  G019+  D083+   Pages Related to Peak C5H5O3:   A059+  G019+  D083+   Pages Related to Peak C4H5O3:   D173+   Pages Related to Peak C3H5O3:   E015+  P028+   Pages Related to Peak C3H3O2:   A059+  E015+  D083+

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。

MT000112n	179 C6H11O6	161 C6H9O5	149 C5H9O5	143 C6H7O4	131 C5H7O4	119 C4H7O4	113 C5H5O3	101 C4H5O3	89 C3H5O3	71 C3H3O2	59 C2H3O2
179 C6H11O6
161 C6H9O5	H2O
149 C5H9O5	CH2O	C
143 C6H7O4	H4O2	H2O
131 C5H7O4	CH4O2	CH2O	H2O	C
119 C4H7O4	C2H4O2	C2H2O	CH2O	C2	C
113 C5H5O3	CH6O3	CH4O2	H4O2	CH2O	H2O
101 C4H5O3	C2H6O3	C2H4O2	CH4O2	C2H2O	CH2O	H2O	C
89 C3H5O3	C3H6O3	C3H4O2	C2H4O2	C3H2O	C2H2O	CH2O	C2	C
71 C3H3O2	C3H8O4	C3H6O3	C2H6O3	C3H4O2	C2H4O2	CH4O2	C2H2O	CH2O	H2O
59 C2H3O2	C4H8O4	C4H6O3	C3H6O3	C4H4O2	C3H4O2	C2H4O2	C3H2O	C2H2O	CH2O	C

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