Ojima:KOX00050n

General Index

All Molecules KOX PR PBX COX

Ion Frequency

Prec.-Product

Neutral Loss

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N-Acetylmethionine

IDs and Links
MassBank	N-Acetylmethionine
CAS	65-82-7
Keio ID	A065-

Top 10 Similar Molecules of N-Acetylmethionine

Ranking	About scoring
L016+ Score:10.41 T058+ Score:6.63 C013+ Score:6.23 B019+ Score:6.23 A204+ Score:3.77 S044+ Score:3.77 M082+ Score:3.77 M081+ Score:3.77 M025+ Score:3.77 G051+ Score:3.77	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。

Links

Page list for each fragment
Pages Related to Peak C5H10NO2S:   L016+   Pages Related to Peak C6H8NO3:   B019+  C013+   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 CH3S:   T058+

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。

KOX00050n	190 C7H12NO3S	148 C5H10NO2S	142 C6H8NO3	84 C4H6NO	47 CH3S
190 C7H12NO3S
148 C5H10NO2S	C2H2O
142 C6H8NO3	CH4S
84 C4H6NO	C3H6O2S	CH4OS	C2H2O2
47 CH3S	C6H9NO3	C4H7NO2

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