Ojima:PR100878n

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All Molecules KOX PR PBX COX

Ion Frequency

Prec.-Product

Neutral Loss

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N-Acetyl-DL-glutamic acid

IDs and Links
MassBank	N-Acetyl-DL-glutamic acid
CAS	5817-08-3
Keio ID

Top 10 Similar Molecules of N-Acetyl-DL-glutamic acid

Ranking	About scoring
R016+ Score:8.69 A065+ Score:8.69 A031+ Score:8.69 M024+ Score:5.38 D122+ Score:5.38 A112+ Score:5.38 A111+ Score:5.38 H064+ Score:5.38 A135+ Score:5.38 M082+ Score:4.69	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 C6H10NO3:   A031+  A065+  A110+  A122+  A191+  G065+  M067+  R016+  G021+  G046+  G051+  M081+  M082+   Pages Related to Peak C4H8NO2:   A031+  A065+  C094+  E005+  F034+  G005+  G018+  G019+  G043+  M003+  M114+  O008+  P092+  R016+  T010+  T020+  A020+  A239+  B090+  D038+  D061+  D183+  E056+  G006+  H003+  M025+  A204+   Pages Related to Peak C5H10NO:   A135+  H064+  A111+  A112+  D122+  M024+

Annotations

Precursor	Product	Comments
(0)	(0)	KOX00021

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。

PR100878n	188 C7H10NO5	170 C7H8NO4	146 C5H8NO4	144 C6H10NO3	128 C5H6NO3	102 C4H8NO2	100 C5H10NO
188 C7H10NO5
170 C7H8NO4	H2O
146 C5H8NO4	C2H2O	C2
144 C6H10NO3	CO2
128 C5H6NO3	C2H4O2	C2H2O	H2O	CH4
102 C4H8NO2	C3H2O3	C3O2	CO2	C2H2O
100 C5H10NO	C2O4			CO2

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