Ojima:KOX00002p

総索引

分子リスト KOX PR PBX COX

イオン統計

前駆-生成イオン統計

中性脱離分子統計

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GABA

IDs and Links
MassBank	GABA
CAS	56-12-2
Keio ID	A002+

Top 10 Similar Molecules of GABA

Ranking	About scoring
A194+ Score:22.69 G032+ Score:18.69 A002+ Score:18.69 R016+ Score:12.19 A048+ Score:10.5 H004+ Score:8.38 A052+ Score:8.38 H048+ Score:8.38 C013+ Score:8.38 M082+ Score:8.19	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 C4H10NO2:   A002+  A048+  A087+  A240+  G032+  A194+  D036+   Pages Related to Peak C4H7O2:   A002+  A048+  F025+  G032+  A060+  A194+  C220+   Pages Related to Peak C4H8NO:   A002+  A138+  A191+  C013+  D064+  G032+  G065+  H048+  I015+  R016+  A052+  A194+  D106+  G046+  G051+  H004+  M082+  T098+   Pages Related to Peak C4H5O:   A002+  A007+  A018+  A037+  A122+  A133+  A191+  G003+  G015+  G032+  G062+  G065+  H013+  M080+  O015+  P067+  P075+  R016+  S049+  T014+  A194+  C043+  D069+  G021+  G046+  G051+  M011+  M024+  M081+  M082+  M110+  P081+  U006+   Pages Related to Peak C4H6N:   A050+  A065+  A073+  A093+  A140+  C012+  C013+  D131+  E011+  H002+  H013+  H027+  H048+  P003+  P048+  R016+  A052+  A194+  D033+  H004+  H058+  H069+  I017+  M076+  M077+  T061+  M022+   Pages Related to Peak C2H5O:   C044+  E023+

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。

KOX00002p	104 C4H10NO2	87 C4H7O2	86 C4H8NO	69 C4H5O	68 C4H6N	45 C2H5O	39 C3H3
104 C4H10NO2
87 C4H7O2	H3N
86 C4H8NO	H2O
69 C4H5O	H5NO	H2O	H3N
68 C4H6N	H4O2		H2O
45 C2H5O	C2H5NO	C2H2O	C2H3N	C2
39 C3H3	CH7NO2	CH4O2	CH5NO	CH2O	CH3N

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