Ojima:KOX00086p

General Index

All Molecules KOX PR PBX COX

Ion Frequency

Prec.-Product

Neutral Loss

Help

Anserine

IDs and Links
MassBank	Anserine
CAS	584-85-0
Keio ID	A140+

Top 10 Similar Molecules of Anserine

Ranking	About scoring
A140+ Score:85.71 M076+ Score:49.71 M077+ Score:37.75 H013+ Score:35.03 M022+ Score:33.52 H069+ Score:20.77 H002+ Score:20.77 H058+ Score:16.33 D131+ Score:16.33 C012+ 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 C10H17N4O3:   A140+  H013+   Pages Related to Peak C10H14N3O3:   A140+  H013+   Pages Related to Peak C9H14N3O3:   A140+  Z001+   Pages Related to Peak C9H17N4O:   A140+   Pages Related to Peak C9H14N3O:   A140+  H013+   Pages Related to Peak C7H12N3O2:   A140+  D183+  M076+  M077+   Pages Related to Peak C7H9N2O2:   A140+  M076+   Pages Related to Peak C6H12N3:   A140+  H073+  M076+  M022+   Pages Related to Peak C6H9N2:   A140+  M076+  M077+  P035+  M022+   Pages Related to Peak C5H9N2:   A032+  A140+  C013+  E011+  E015+  H002+  L006+  O009+  R041+  A069+  A104+  B026+  H069+  M076+  M077+  P105+  M022+   Pages Related to Peak C5H8N2:   A140+  M076+  M077+  M022+   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 C5H8N:   A135+  A140+  H064+  P067+  A069+  A080+  A197+  C043+  H045+  M024+  N016+  P054+  S040+  T024+  T061+  D030+  M022+   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+

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。

KOX00086p	241 C10H17N4O3	224 C10H14N3O3	212 C9H14N3O3	197 C9H17N4O	180 C9H14N3O	170 C7H12N3O2	153 C7H9N2O2	126 C6H12N3	109 C6H9N2	97 C5H9N2	96 C5H8N2	95 C5H7N2	83 C4H7N2	82 C5H8N	81 C4H5N2	68 C4H6N
241 C10H17N4O3
224 C10H14N3O3	H3N
212 C9H14N3O3	CH3N	C
197 C9H17N4O	CO2
180 C9H14N3O	CH3NO2	CO2	O2	H3N
170 C7H12N3O2	C3H5NO	C3H2O	C2H2O
153 C7H9N2O2	C3H8N2O	C3H5NO	C2H5NO			H3N
126 C6H12N3	C4H5NO3	C4H2O3	C3H2O3	C3H5NO	C3H2O	CO2
109 C6H9N2	C4H8N2O3	C4H5NO3	C3H5NO3	C3H8N2O	C3H5NO	CH3NO2	CO2	H3N
97 C5H9N2	C5H8N2O3	C5H5NO3	C4H5NO3	C4H8N2O	C4H5NO	C2H3NO2	C2O2	CH3N	C
96 C5H8N2	C5H9N2O3	C5H6NO3	C4H6NO3	C4H9N2O	C4H6NO	C2H4NO2	C2HO2	CH4N	CH	H
95 C5H7N2	C5H10N2O3	C5H7NO3	C4H7NO3	C4H10N2O	C4H7NO	C2H5NO2	C2H2O2	CH5N	CH2	H2	H
83 C4H7N2	C6H10N2O3	C6H7NO3	C5H7NO3	C5H10N2O	C5H7NO	C3H5NO2	C3H2O2	C2H5N	C2H2	CH2	CH	C
82 C5H8N	C5H9N3O3	C5H6N2O3	C4H6N2O3	C4H9N3O	C4H6N2O	C2H4N2O2	C2HNO2	CH4N2	CHN	HN	N
81 C4H5N2	C6H12N2O3	C6H9NO3	C5H9NO3	C5H12N2O	C5H9NO	C3H7NO2	C3H4O2	C2H7N	C2H4	CH4	CH3	CH2	H2
68 C4H6N	C6H11N3O3	C6H8N2O3	C5H8N2O3	C5H11N3O	C5H8N2O	C3H6N2O2	C3H3NO2	C2H6N2	C2H3N	CH3N	CH2N	CHN	HN	CH2

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

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