Ojima:PR100296p

General Index

All Molecules KOX PR PBX COX

Ion Frequency

Prec.-Product

Neutral Loss

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L-2-Aminoadipic Acid

IDs and Links
MassBank	L-2-Aminoadipic Acid
CAS	1118-90-7
Keio ID

Top 10 Similar Molecules of L-2-Aminoadipic Acid

Ranking	About scoring
M067+ Score:19.14 A110+ Score:19.14 M081+ Score:14.38 G051+ Score:14.38 G046+ Score:14.38 G065+ Score:14.38 B026+ Score:9.2 M082+ Score:9.13 G021+ Score:9.13 R016+ Score:9.13	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。

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Page list for each fragment

Pages Related to Peak C6H12NO4:   A110+  G065+  M067+  A239+  G046+  G051+  M081+   Pages Related to Peak C6H10NO3:   A031+  A065+  A110+  A122+  A191+  G065+  M067+  R016+  G021+  G046+  G051+  M081+  M082+   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	Comments
(0)	(0)	KOX00064

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。

PR100296p	162 C6H12NO4	144 C6H10NO3	116 C5H10NO2	98 C5H8NO
162 C6H12NO4
144 C6H10NO3	H2O
116 C5H10NO2	CH2O2	CO
98 C5H8NO	CH4O3	CH2O2	H2O

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