Ojima:PR100469p

General Index

All Molecules KOX PR PBX COX

Ion Frequency

Prec.-Product

Neutral Loss

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L-Ethionine

IDs and Links
MassBank	L-Ethionine
CAS	13073-35-3
Keio ID

Top 10 Similar Molecules of L-Ethionine

Ranking	About scoring
E056+ Score:36.64 T020+ Score:15.74 M003+ Score:15.74 G018+ Score:15.74 M025+ Score:11.81 H003+ Score:11.81 T010+ Score:11.81 D038+ Score:10.9 M114+ Score:10.9 F034+ Score:10.9	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 C6H14NO2S:   E056+   Pages Related to Peak C6H11O2S:   E056+   Pages Related to Peak C5H12NS:   A170+  E056+   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 C5H9S:   L031+   Pages Related to Peak C3H7S:   D067+  E056+   Pages Related to Peak C3H8NO:   B018+  G018+  M003+  T010+  T020+  A046+  A194+  H003+  M025+  P192+  T098+   Pages Related to Peak C2H4NO2:   A016+  A017+  A032+  A039+  A065+  A127+  A140+  B018+  C015+  C094+  F025+  F034+  G018+  G061+  H002+  H048+  H064+  L004+  M003+  M114+  P032+  T003+  T020+  A064+  B026+  D038+  E056+  H050+  K004+   Pages Related to Peak C3H6N:   A031+  A050+  A065+  A073+  A093+  A110+  A127+  A135+  A174+  C012+  C094+  E005+  E011+  E033+  F034+  G005+  G018+  G019+  G032+  G043+  H002+  H013+  H064+  H073+  I008+  L004+  M003+  M035+  M114+  O008+  P048+  P059+  P092+  T010+  T015+  T020+  V001+  A020+  A046+  A069+  A194+  B044+  B047+  C028+  C043+  C044+  D033+  D036+  D038+  D087+  E007+  E056+  G006+  H003+  H058+  I053+  I063+  L027+  M025+  M029+  M077+  M124+  M126+  M169+  P034+  P046+  P074+  P192+  T022+  T024+  T027+  T061+  T098+  T122+  D030+  A204+  M022+

Annotations

Precursor	Product	Comments
(0)	(0)	KOX00729

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。

PR100469p	164 C6H14NO2S	147 C6H11O2S	118 C5H12NS	102 C4H8NO2	101 C5H9S	75 C3H7S	74 C3H8NO	74 C2H4NO2	73 C3H5S	56 C3H6N
164 C6H14NO2S
147 C6H11O2S	H3N
118 C5H12NS	CH2O2
102 C4H8NO2	C2H6S
101 C5H9S	CH5NO2	CH2O2	H3N
75 C3H7S	C3H7NO2	C3H4O2	C2H5N		C2H2
74 C3H8NO	C3H6OS			CO
74 C2H4NO2	C4H10S			C2H4
73 C3H5S	C3H9NO2	C3H6O2	C2H7N		C2H4	H2
56 C3H6N	C3H8O2S		C2H6S	CH2O2			H2O

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