Ojima:PR100206p

General Index

All Molecules KOX PR PBX COX

Ion Frequency

Prec.-Product

Neutral Loss

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Thymine

IDs and Links
MassBank	Thymine
CAS	65-71-4
Keio ID

Top 10 Similar Molecules of Thymine

Ranking	About scoring
T015+ Score:34.09 T014+ Score:25.17 M029+ Score:18.14 I014+ Score:15.16 F034+ Score:10.25 D183+ Score:7.27 A204+ Score:6.74 M025+ Score:6.74 G006+ Score:6.74 E056+ Score:6.74	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 C5H7N2O2:   T014+  T015+  I014+   Pages Related to Peak C5H4NO2:   T014+  T015+   Pages Related to Peak C5H5N2O:   T014+  T015+  I014+  M029+   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 C4H4NO:   D173+  T015+  M029+   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+   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	Comments
(0)	(0)	KOX00590

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。

PR100206p	127 C5H7N2O2	110 C5H4NO2	109 C5H5N2O	84 C4H6NO	82 C4H4NO	56 C3H6N	54 C3H4N
127 C5H7N2O2
110 C5H4NO2	H3N
109 C5H5N2O	H2O
84 C4H6NO	CHNO
82 C4H4NO	CH3NO	CO	CHN	H2
56 C3H6N	C2HNO2			CO
54 C3H4N	C2H3NO2	C2O2	C2HNO	CH2O	CO	H2

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