Ojima:PR100300p

General Index

All Molecules KOX PR PBX COX

Ion Frequency

Prec.-Product

Neutral Loss

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4-Methyl-5-thiazoleethanol

IDs and Links
MassBank	4-Methyl-5-thiazoleethanol
CAS	137-00-8
Keio ID

Top 10 Similar Molecules of 4-Methyl-5-thiazoleethanol

Ranking	About scoring
M013+ Score:35.29 T056+ Score:18.18 T057+ Score:5.72 C077+ Score:5.72 N044+ Score:3.83 M022+ Score:3.83 S016+ Score:3.83 P183+ Score:3.83 P079+ Score:3.83 P041+ Score:3.83	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 C6H10NOS:   T056+  M013+   Pages Related to Peak C6H8NS:   C077+  T056+  T057+  M013+   Pages Related to Peak C5H7NS:   T056+  M013+   Pages Related to Peak C5H6NS:   M013+   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 C3H3S:   M013+

Annotations

Precursor	Product	Comments
(0)	(0)	KOX00775

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。

PR100300p	144 C6H10NOS	126 C6H8NS	113 C5H7NS	112 C5H6NS	80 C5H6N	72 C3H4S	71 C3H3S
144 C6H10NOS
126 C6H8NS	H2O
113 C5H7NS	CH3O	CH
112 C5H6NS	CH4O	CH2	H
80 C5H6N	CH4OS	CH2S	HS	S
72 C3H4S	C3H6NO	C3H4N	C2H3N	C2H2N
71 C3H3S	C3H7NO	C3H5N	C2H4N	C2H3N		H

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