Ojima:KOX00215p

General Index

All Molecules KOX PR PBX COX

Ion Frequency

Prec.-Product

Neutral Loss

Help

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
D131+ Score:33.18 H069+ Score:21.72 H058+ Score:21.72 H002+ Score:21.72 A073+ Score:21.72 M077+ Score:16.33 M076+ Score:16.33 H013+ Score:16.33 C012+ Score:16.33 A140+ Score:16.33	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 C8H14N3O2:   D131+   Pages Related to Peak C7H12N3:   D131+   Pages Related to Peak C4H8NO2:   A031+  A065+  C094+  E005+  F034+  G005+  G018+  G019+  G043+  M003+  M114+  O008+  P092+  R016+  T010+  T020+  A020+  A239+  B090+  D038+  D061+  D183+  E056+  G006+  H003+  M025+  A204+   Pages Related to Peak C5H7N2:   A073+  A093+  A140+  C012+  C208+  D131+  H002+  H013+  M035+  P068+  U011+  B026+  H058+  H069+  I051+  M076+  M077+  P105+   Pages Related to Peak C4H7N2:   A073+  A093+  A140+  C012+  D131+  E011+  G117+  H002+  H013+  C028+  E007+  H058+  H069+  I053+  M029+  M076+  M077+  M124+  P084+  T027+   Pages Related to Peak C4H6N2:   A073+  H002+  H058+  H069+  I053+  M033+   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 C4H6N:   A050+  A065+  A073+  A093+  A140+  C012+  C013+  D131+  E011+  H002+  H013+  H027+  H048+  P003+  P048+  R016+  A052+  A194+  D033+  H004+  H058+  H069+  I017+  M076+  M077+  T061+  M022+   Pages Related to Peak C3H8N:   A048+  A087+  A240+  B072+  D131+  H048+  H064+  I008+  N009+  A052+  A060+  A069+  A111+  A112+  A170+  A224+  B040+  B044+  B047+  B090+  C032+  C041+  C044+  C220+  D035+  D036+  D075+  H004+  H112+  I011+  I063+  L034+  M099+  M103+  P074+  P192+  S003+  S011+  T024+  T051+  V021+  H024+

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。

KOX00215p	184 C8H14N3O2	138 C7H12N3	102 C4H8NO2	95 C5H7N2	83 C4H7N2	82 C4H6N2	81 C4H5N2	68 C4H6N	58 C3H8N
184 C8H14N3O2
138 C7H12N3	CH2O2
102 C4H8NO2	C4H6N2
95 C5H7N2	C3H7NO2	C2H5N
83 C4H7N2	C4H7NO2	C3H5N		C
82 C4H6N2	C4H8NO2	C3H6N		CH	H
81 C4H5N2	C4H9NO2	C3H7N		CH2	H2	H
68 C4H6N	C4H8N2O2	C3H6N2	H2O2	CHN	HN	N
58 C3H8N	C5H6N2O2	C4H4N2	CO2

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

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