Ojima:KOX00721p

General Index

All Molecules KOX PR PBX COX

Ion Frequency

Prec.-Product

Neutral Loss

Help

Dyphylline

IDs and Links
MassBank	Dyphylline
CAS	479-18-5
Keio ID	D183+

Top 10 Similar Molecules of Dyphylline

Ranking	About scoring
D183+ Score:76.09 A237+ Score:30.21 T027+ Score:24.82 T029+ Score:24.49 C012+ Score:15.55 A073+ Score:15.55 M030+ Score:13.38 M042+ Score:13.38 M043+ Score:9.71 M035+ Score:9.38	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 C10H15N4O4:   D183+   Pages Related to Peak C10H13N4O3:   D183+   Pages Related to Peak C10H11N4O2:   D183+   Pages Related to Peak C8H12N3O3:   A073+  C012+  D183+   Pages Related to Peak C7H9N4O2:   A237+  T029+  D183+  T027+   Pages Related to Peak C8H10N3O2:   A073+  C012+  D183+   Pages Related to Peak C6H11N2O2:   D173+  E011+  P039+  D183+  A155+   Pages Related to Peak C6H9N4:   A237+  M035+  D183+  T027+   Pages Related to Peak C5H6N3O:   A237+  M042+  M043+  T029+  D183+  P098+   Pages Related to Peak C4H6N3:   A237+  T029+  A203+  D183+  M030+  T027+   Pages Related to Peak C4H6NO:   A031+  A122+  A191+  E005+  F034+  G005+  G018+  G019+  G043+  G062+  G065+  G117+  L016+  M114+  O008+  P092+  R016+  T010+  T014+  T015+  T020+  D038+  D061+  D183+  E056+  G006+  G021+  G046+  G051+  M025+  M081+  M082+  S044+  A204+   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 C3H5N2:   A133+  A237+  C033+  C119+  D055+  H014+  M042+  M043+  T029+  Z001+  C028+  D183+  H025+  I046+  M030+  P084+  P095+  T027+  T123+   Pages Related to Peak C3H5O:   C119+  S049+  T010+  T020+  A046+  A143+  A194+  D183+  M025+  S044+  U006+  G030+

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。

KOX00721p	255 C10H15N4O4	237 C10H13N4O3	219 C10H11N4O2	198 C8H12N3O3	181 C7H9N4O2	180 C8H10N3O2	143 C6H11N2O2	137 C6H9N4	124 C5H6N3O	96 C4H6N3	84 C4H6NO	81 C4H5N2	69 C3H5N2	57 C3H5O
255 C10H15N4O4
237 C10H13N4O3	H2O
219 C10H11N4O2	H4O2	H2O
198 C8H12N3O3	C2H3NO	C2HN
181 C7H9N4O2	C3H6O2	C3H4O	C3H2
180 C8H10N3O2	C2H5NO2	C2H3NO	C2HN	H2O
143 C6H11N2O2	C4H4N2O2	C4H2N2O	C4N2	C2HNO
137 C6H9N4	C4H6O4	C4H4O3	C4H2O2		CO2
124 C5H6N3O	C5H9NO3	C5H7NO2	C5H5NO	C3H6O2	C2H3NO	C3H4O
96 C4H6N3	C6H9NO4	C6H7NO3	C6H5NO2	C4H6O3	C3H3NO2	C4H4O2		C2H3N	CO
84 C4H6NO	C6H9N3O3	C6H7N3O2	C6H5N3O	C4H6N2O2	C3H3N3O	C4H4N2O	C2H5NO		CN2
81 C4H5N2	C6H10N2O4	C6H8N2O3	C6H6N2O2	C4H7NO3	C3H4N2O2	C4H5NO2	C2H6O2	C2H4N2	CHNO	HN
69 C3H5N2	C7H10N2O4	C7H8N2O3	C7H6N2O2	C5H7NO3	C4H4N2O2	C5H5NO2	C3H6O2	C3H4N2	C2HNO	CHN		C
57 C3H5O	C7H10N4O3	C7H8N4O2	C7H6N4O	C5H7N3O2	C4H4N4O	C5H5N3O	C3H6N2O		C2HN3		CHN

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

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