Ojima:KOX00063n

General Index

All Molecules KOX PR PBX COX

Ion Frequency

Prec.-Product

Neutral Loss

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a-Aminoadipate

IDs and Links
MassBank	a-Aminoadipate
CAS	542-32-5
Keio ID	A110-

Top 10 Similar Molecules of a-Aminoadipate

Ranking	About scoring
C013+ Score:10.99 B019+ Score:10.67 B026+ Score:9.2 M067+ Score:9.2 A110+ Score:9.2 P075+ Score:6.63 P105+ Score:4.76 O005+ Score:4.76 Z003+ Score:4.76 P003+ Score:4.76	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 C6H10NO4:   P075+   Pages Related to Peak C6H8NO3:   B019+  C013+   Pages Related to Peak C5H10NO2:   A032+  A039+  A110+  C013+  M067+  O003+  O009+  P003+  Z003+  B026+  O005+  P105+   Pages Related to Peak C5H8NO:   A065+  A110+  A122+  A191+  B019+  G065+  M067+  M159+  R016+  B026+  C043+  G021+  G046+  G051+  M081+  M082+  S044+

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。

KOX00063n	160 C6H10NO4	142 C6H8NO3	116 C5H10NO2	98 C5H8NO	59 C2H3O2
160 C6H10NO4
142 C6H8NO3	H2O
116 C5H10NO2	CO2
98 C5H8NO	CH2O3	CO2	H2O
59 C2H3O2	C4H7NO2	C4H5NO	C3H7N

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