Ojima:KOX00275n

General Index

All Molecules KOX PR PBX COX

Ion Frequency

Prec.-Product

Neutral Loss

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g-Guanidinobutyrate

IDs and Links
MassBank	g-Guanidinobutyrate
CAS	463-00-3
Keio ID	G032-

Top 10 Similar Molecules of g-Guanidinobutyrate

Ranking	About scoring
C094+ Score:10.22 G117+ Score:8.06 A204+ Score:7.77 M025+ Score:7.77 G006+ Score:7.77 E056+ Score:7.77 D183+ Score:7.77 D061+ Score:7.77 D038+ Score:7.77 T020+ Score:7.77	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 C5H10N3O2:   R041+   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 C4H7N2:   A073+  A093+  A140+  C012+  D131+  E011+  G117+  H002+  H013+  C028+  E007+  H058+  H069+  I053+  M029+  M076+  M077+  M124+  P084+  T027+   Pages Related to Peak CH4N3:   A045+  C094+

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。

KOX00275n	144 C5H10N3O2	102 C4H8NO2	84 C4H6NO	83 C4H7N2	58 CH4N3
144 C5H10N3O2
102 C4H8NO2	CH2N2
84 C4H6NO	CH4N2O	H2O
83 C4H7N2	CH3NO2
58 CH4N3	C4H6O2

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