Ojima:KOX00608p

General Index

All Molecules KOX PR PBX COX

Ion Frequency

Prec.-Product

Neutral Loss

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Thiamine monophosphate

IDs and Links
MassBank	Thiamine monophosphate
CAS	532-40-1
Keio ID	T057+

Top 10 Similar Molecules of Thiamine monophosphate

Ranking	About scoring
T057+ Score:31.29 C077+ Score:21.15 T056+ Score:18.42 C012+ Score:12.7 M035+ Score:9.2 P042+ Score:7.16 M022+ Score:7.16 T027+ Score:7.16 P098+ Score:7.16 M126+ Score:7.16	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 C12H18N4O4PS:   C077+  T057+   Pages Related to Peak C6H11NO4PS:   T057+   Pages Related to Peak C6H8NS:   C077+  T056+  T057+  M013+   Pages Related to Peak C6H8N3:   C012+  C077+  M035+  T056+  T057+   Pages Related to Peak C4H5N2:   A073+  A093+  A140+  A237+  C012+  C077+  D055+  D131+  H002+  H013+  M035+  M042+  M074+  P075+  T014+  T015+  T029+  T056+  T057+  C028+  D183+  H025+  H058+  H069+  I014+  I053+  M029+  M030+  M033+  M076+  M077+  M126+  P098+  T027+  T033+  X012+  M022+  P042+   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 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。

KOX00608p	345 C12H18N4O4PS	224 C6H11NO4PS	126 C6H8NS	122 C6H8N3	81 C4H5N2	54 C3H4N
345 C12H18N4O4PS
224 C6H11NO4PS	C6H7N3
126 C6H8NS	C6H10N3O4P	H3O4P
122 C6H8N3	C6H10NO4PS
81 C4H5N2	C8H13N2O4PS			C2H3N
54 C3H4N	C9H14N3O4PS	C3H7O4PS	C3H4S	C3H4N2	CHN

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