Ojima:COX00086p

General Index

All Molecules KOX PR PBX COX

Ion Frequency

Prec.-Product

Neutral Loss

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Sulfadimethoxine

IDs and Links
MassBank	Sulfadimethoxine
CAS
Keio ID

Top 10 Similar Molecules of Sulfadimethoxine

Ranking	About scoring
S016+ Score:22 S079+ Score:22 A220+ Score:22 P183+ Score:10.51 P079+ Score:10.51 P035+ Score:10.51 M063+ Score:10.51 A068+ Score:10.51 G101+ Score:10.51 E012+ Score:10.51	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 C12H13N4O2:   T033+   Pages Related to Peak C6H6NO2S:   A220+  S079+  S016+   Pages Related to Peak C6H6NO:   A220+  B093+  S079+  G021+  S016+   Pages Related to Peak C6H6N:   A010+  A042+  A043+  A220+  B007+  B072+  D166+  E012+  G101+  I019+  N012+  S079+  U011+  A068+  A114+  B011+  C170+  D032+  D044+  H050+  K004+  M063+  M066+  P035+  P036+  P047+  P056+  P079+  P183+  P190+  S016+  T028+  T060+   Pages Related to Peak C5H6N:   A042+  A220+  B072+  D057+  E012+  G101+  I050+  N004+  P053+  P094+  R016+  S079+  A068+  B026+  D180+  G021+  G046+  H050+  H097+  I017+  I051+  M013+  M063+  N001+  N016+  P035+  P041+  P079+  P183+  S016+  M022+  N044+   Pages Related to Peak C5H5:   A010+  A042+  A043+  A050+  A130+  A220+  B007+  B015+  B072+  C040+  D046+  D057+  D166+  E012+  E033+  F034+  G101+  H029+  H139+  I019+  I025+  M003+  M037+  M127+  N012+  P002+  P014+  P053+  P059+  P113+  S013+  S079+  T002+  T054+  U011+  X004+  Z003+  A061+  A068+  A114+  B011+  B013+  C047+  C170+  C172+  D032+  D044+  D087+  D122+  D178+  D180+  D185+  E008+  E013+  K004+  M013+  M039+  M063+  M066+  M071+  M101+  M150+  M167+  M172+  N016+  N028+  P035+  P047+  P056+  P061+  P079+  P183+  P190+  Q001+  S016+  S041+  S058+  T008+  T028+  T030+  T031+  T032+  T044+  T060+  N044+

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。

COX00086p	311 C12H15N4O4S	245 C12H13N4O2	218 C6H8N3O4S	156 C6H6NO2S	108 C6H6NO	92 C6H6N	80 C5H6N	65 C5H5
311 C12H15N4O4S
245 C12H13N4O2	H2O2S
218 C6H8N3O4S	C6H7N
156 C6H6NO2S	C6H9N3O2		H2N2O2
108 C6H6NO	C6H9N3O3S	C6H7N3O	H2N2O3S	OS
92 C6H6N	C6H9N3O4S	C6H7N3O2	H2N2O4S	O2S	O
80 C5H6N	C7H9N3O4S	C7H7N3O2	CH2N2O4S	CO2S	CO	C
65 C5H5	C7H10N4O4S	C7H8N4O2	CH3N3O4S	CHNO2S	CHNO	CHN	HN

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