Ojima:KOX00795p

General Index

All Molecules KOX PR PBX COX

Ion Frequency

Prec.-Product

Neutral Loss

Help

Muramate

IDs and Links
MassBank	Muramate
CAS	1114-41-6
Keio ID	M082+

Top 10 Similar Molecules of Muramate

Ranking	About scoring
M082+ Score:58.35 G046+ Score:30.37 M081+ Score:25.98 G051+ Score:25.98 G065+ Score:25.98 G021+ Score:21.87 A191+ Score:21.87 A122+ Score:21.87 R016+ Score:16.94 P047+ Score:16.57	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 C9H18NO7:   M082+   Pages Related to Peak C9H16NO6:   M082+   Pages Related to Peak C9H14NO5:   M082+   Pages Related to Peak C6H10NO3:   A031+  A065+  A110+  A122+  A191+  G065+  M067+  R016+  G021+  G046+  G051+  M081+  M082+   Pages Related to Peak C6H8NO2:   A122+  A191+  E011+  G065+  E008+  G021+  G046+  G051+  M081+  M082+   Pages Related to Peak C7H7O2:   E033+  P113+  T002+  M169+  N028+   Pages Related to Peak C8H12N:   A196+  D032+  D039+  D178+  D180+  M082+  P047+   Pages Related to Peak C8H9:   S013+  D039+  D178+  D180+  F016+  M082+  M167+  M169+  P047+  S041+  T041+  V021+   Pages Related to Peak C5H8NO:   A065+  A110+  A122+  A191+  B019+  G065+  M067+  M159+  R016+  B026+  C043+  G021+  G046+  G051+  M081+  M082+  S044+   Pages Related to Peak C5H6NO:   A122+  A191+  B019+  C013+  G061+  G065+  P094+  R016+  A052+  F013+  G021+  G046+  G051+  H004+  H021+  I017+  I051+  M063+  M081+  M082+  M111+  N001+  P045+  P079+  P099+  T060+   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 C6H7:   A053+  A067+  B020+  C063+  E012+  E033+  M127+  P002+  P113+  A035+  A061+  B009+  B090+  D032+  D039+  D178+  D180+  E013+  L031+  M039+  M082+  M167+  N028+  P047+  P061+  S040+  T041+  T060+  T126+  A082+   Pages Related to Peak C6H5:   A010+  A043+  A050+  A053+  A067+  A110+  A130+  B007+  B015+  B018+  B020+  D046+  D051+  D166+  E012+  E033+  H029+  H139+  I015+  I019+  I022+  I025+  I030+  I038+  M037+  M040+  M053+  M078+  M127+  N018+  P002+  P014+  P033+  P053+  P059+  P113+  S013+  T002+  T003+  T054+  T112+  X004+  A035+  A036+  A054+  A061+  A064+  A080+  B004+  B009+  B011+  B013+  B026+  C172+  D032+  D039+  D061+  D087+  D178+  D180+  D185+  E013+  F016+  G041+  H045+  I063+  I067+  K004+  K005+  L027+  L031+  M039+  M066+  M082+  M101+  M142+  M150+  M167+  M169+  M172+  N016+  N028+  N067+  O007+  P036+  P047+  P054+  P057+  P061+  P079+  Q001+  Q008+  S040+  S041+  S058+  T008+  T024+  T028+  T030+  T031+  T032+  T060+  T126+  D030+  A155+  N044+   Pages Related to Peak C3H6NO:   A011+  A015+  A021+  A138+  C034+  C094+  D173+  E005+  G061+  G065+  P032+  A051+  A052+  A111+  A197+  C008+  D122+  G046+  G051+  L047+  M081+  N063+  P177+  S044+   Pages Related to Peak C5H11:   I039+  O007+   Pages Related to Peak C4H9:   D128+  G020+  G117+  L016+  N018+  P113+  T112+  V001+  Z002+  B010+  D038+  D061+  F013+  G046+  O007+  P157+  T126+  I064+

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。

KOX00795p	252 C9H18NO7	234 C9H16NO6	216 C9H14NO5	144 C6H10NO3	126 C6H8NO2	123 C7H7O2	122 C8H12N	105 C8H9	98 C5H8NO	96 C5H6NO	84 C4H6NO	79 C6H7	77 C6H5	72 C3H6NO	71 C5H11	57 C4H9
252 C9H18NO7
234 C9H16NO6	H2O
216 C9H14NO5	H4O2	H2O
144 C6H10NO3	C3H8O4	C3H6O3	C3H4O2
126 C6H8NO2	C3H10O5	C3H8O4	C3H6O3	H2O
123 C7H7O2	C2H11NO5	C2H9NO4	C2H7NO3
122 C8H12N	CH6O7	CH4O6	CH2O5
105 C8H9	CH9NO7	CH7NO6	CH5NO5				H3N
98 C5H8NO	C4H10O6	C4H8O5	C4H6O4	CH2O2	CO
96 C5H6NO	C4H12O6	C4H10O5	C4H8O4	CH4O2	CH2O				H2
84 C4H6NO	C5H12O6	C5H10O5	C5H8O4	C2H4O2	C2H2O				CH2	C
79 C6H7	C3H11NO7	C3H9NO6	C3H7NO5	H3NO3	HNO2	CO2	C2H5N	C2H2
77 C6H5	C3H13NO7	C3H11NO6	C3H9NO5	H5NO3	H3NO2	CH2O2	C2H7N	C2H4				H2
72 C3H6NO	C6H12O6	C6H10O5	C6H8O4	C3H4O2	C3H2O				C2H2	C2	C
71 C5H11	C4H7NO7	C4H5NO6	C4H3NO5				C3HN
57 C4H9	C5H9NO7	C5H7NO6	C5H5NO5	C2HNO3			C4H3N	C4							CH2

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

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