Ojima:PR100201p

General Index

All Molecules KOX PR PBX COX

Ion Frequency

Prec.-Product

Neutral Loss

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Thiabendazole

IDs and Links
MassBank	Thiabendazole
CAS	148-79-8
Keio ID

Top 10 Similar Molecules of Thiabendazole

Ranking	About scoring
T028+ Score:35.77 N067+ Score:15.81 D087+ Score:12.46 P183+ Score:12.4 P079+ Score:10.54 K004+ Score:10.54 A068+ Score:10.54 N044+ Score:6.74 T031+ Score:6.74 T030+ 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 C10H8N3S:   T028+   Pages Related to Peak C9H7N2S:   T028+   Pages Related to Peak C9H7N2:   N067+  T028+   Pages Related to Peak C8H7N2:   D087+  N067+  P183+  T028+   Pages Related to Peak C7H6N:   E033+  H139+  I030+  I038+  M037+  P014+  P053+  T054+  X004+  A035+  A068+  A123+  B004+  D087+  K004+  M101+  M111+  M142+  M169+  M172+  N016+  N067+  P057+  P079+  Q008+  S041+  T008+  T028+  T030+  T031+  N044+   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 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	Comments
(0)	(0)	KOX00877

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。

PR100201p	202 C10H8N3S	175 C9H7N2S	143 C9H7N2	131 C8H7N2	104 C7H6N	92 C6H6N	65 C5H5
202 C10H8N3S
175 C9H7N2S	CHN
143 C9H7N2	CHNS	S
131 C8H7N2	C2HNS	CS	C
104 C7H6N	C3H2N2S	C2HNS	C2HN	CHN
92 C6H6N	C4H2N2S	C3HNS	C3HN	C2HN	C
65 C5H5	C5H3N3S	C4H2N2S	C4H2N2	C3H2N2	C2HN	CHN

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