Ojima:KOX00021n

General Index

All Molecules KOX PR PBX COX

Ion Frequency

Prec.-Product

Neutral Loss

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N-Acetylglutamate

IDs and Links
MassBank	N-Acetylglutamate
CAS	1188-37-0
Keio ID	A031-

Top 10 Similar Molecules of N-Acetylglutamate

Ranking	About scoring
R016+ Score:12.47 A031+ Score:12.47 D183+ Score:11.28 F034+ Score:11.28 A065+ Score:8.69 M082+ Score:8.47 M081+ Score:8.47 G051+ Score:8.47 G046+ Score:8.47 G021+ Score:8.47	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 C4H6NO:   A031+  A122+  A191+  E005+  F034+  G005+  G018+  G019+  G043+  G062+  G065+  G117+  L016+  M114+  O008+  P092+  R016+  T010+  T014+  T015+  T020+  D038+  D061+  D183+  E056+  G006+  G021+  G046+  G051+  M025+  M081+  M082+  S044+  A204+   Pages Related to Peak C2H4NO:   D037+  M024+  A166+   Pages Related to Peak C3H4N:   A042+  A073+  A093+  A140+  A237+  B007+  B020+  C012+  C208+  D131+  F025+  F034+  H002+  H013+  M042+  M043+  M074+  P055+  P075+  T014+  T015+  T056+  T057+  A044+  C028+  D033+  D087+  D183+  H025+  H058+  H069+  I014+  I053+  M029+  M030+  M076+  M077+  M110+  M124+  M126+  P098+  T027+  T030+  M022+  P042+

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。

KOX00021n	188 C7H10NO5	146 C5H8NO4	144 C6H10NO3	128 C5H6NO3	102 C4H8NO2	84 C4H6NO	59 C2H3O2	58 C2H4NO	54 C3H4N
188 C7H10NO5
146 C5H8NO4	C2H2O
144 C6H10NO3	CO2
128 C5H6NO3	C2H4O2	H2O	CH4
102 C4H8NO2	C3H2O3	CO2	C2H2O
84 C4H6NO	C3H4O4	CH2O3	C2H4O2	CO2	H2O
59 C2H3O2	C5H7NO3	C3H5NO2	C4H7NO	C3H3NO	C2H5N
58 C2H4NO	C5H6O4	C3H4O3	C4H6O2	C3H2O2	C2H4O	C2H2
54 C3H4N	C4H6O5	C2H4O4	C3H6O3	C2H2O3	CH4O2	CH2O

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