Ojima:KOX00214n

General Index

All Molecules KOX PR PBX COX

Ion Frequency

Prec.-Product

Neutral Loss

Help

150px
Na,Na-Dimethylhistidine

IDs and Links
MassBank	Na,Na-Dimethylhistidine
CAS
Keio ID	D131-

Top 10 Similar Molecules of Na,Na-Dimethylhistidine

Ranking	About scoring
D183+ Score:13.95 H002+ Score:13.95 A073+ Score:13.95 D131+ Score:10.3 U011+ Score:10.28 I066+ Score:10.28 H013+ Score:8.92 C012+ Score:8.92 T027+ Score:7.74 M030+ Score:7.74	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 C7H12N3:   D131+   Pages Related to Peak C5H5N2:   A073+  C012+  H002+  H013+  I066+  U011+  D183+   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 C4H4N2:   P036+   Pages Related to Peak C3H3N2:   A007+  A071+  A136+  A237+  C119+  D055+  F014+  H014+  M035+  M042+  M043+  M054+  M074+  M104+  Z002+  C028+  D067+  D069+  D082+  M030+  M110+  M124+  P049+  P081+  T027+   Pages Related to Peak C4H4N:   A073+  H002+  H015+  I066+  N012+  U011+  D183+  M063+  P035+

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。

KOX00214n	182 C8H12N3O2	138 C7H12N3	137 C6H5N2O2	121 C6H7N3	93 C5H5N2	81 C4H5N2	80 C4H4N2	67 C3H3N2	66 C4H4N	59 C2H3O2
182 C8H12N3O2
138 C7H12N3	CO2
137 C6H5N2O2	C2H7N
121 C6H7N3	C2H5O2	CH5
93 C5H5N2	C3H7NO2	C2H7N	CO2	CH2N
81 C4H5N2	C4H7NO2	C3H7N	C2O2	C2H2N	C
80 C4H4N2	C4H8NO2	C3H8N	C2HO2	C2H3N	CH	H
67 C3H3N2	C5H9NO2	C4H9N	C3H2O2	C3H4N	C2H2	CH2	CH
66 C4H4N	C4H8N2O2	C3H8N2	C2HNO2	C2H3N2	CHN	HN	N
59 C2H3O2	C6H9N3		C4H2N2

(pos/neg)<<First Page   (pos/neg)<Previous Page

Next Page>(pos/neg)   Last Page>>(pos/neg)