Ojima:MT000078p

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
V001+ Score:9.46 N009+ Score:9.46 A189+ Score:9.46 A135+ Score:9.46 P032+ Score:6.23 E033+ Score:6.23 B047+ Score:5.38 H064+ Score:5.38 H024+ Score:4.07 S011+ Score:4.07	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 C9H14NO3:   E033+  P032+   Pages Related to Peak C5H12NO2:   A135+  A189+  H064+  N009+  V001+  B047+   Pages Related to Peak C4H10N:   A032+  A039+  A135+  A189+  E015+  N009+  O009+  V001+  A051+  A069+  A104+  A111+  A112+  B001+  B026+  I063+  L057+  O005+  O016+  P105+  P190+  P192+  S003+  S011+  H024+

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。

MT000078p	247 C10H19N2O5	230 C10H16NO5	229 C10H17N2O4	184 C9H14NO3	118 C5H12NO2	72 C4H10N
247 C10H19N2O5
230 C10H16NO5	H3N
229 C10H17N2O4	H2O
184 C9H14NO3	CH5NO2	CH2O2	CH3NO
118 C5H12NO2	C5H7NO3	C5H4O3	C5H5NO2	C4H2O
72 C4H10N	C6H9NO5	C6H6O5	C6H7NO4	C5H4O3	CH2O2

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