Ojima:KOX00705p

General Index

All Molecules KOX PR PBX COX

Ion Frequency

Prec.-Product

Neutral Loss

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2-Deoxystreptamine

IDs and Links
MassBank	2-Deoxystreptamine
CAS	2037-48-1
Keio ID	D061+

Top 10 Similar Molecules of 2-Deoxystreptamine

Ranking	About scoring
D061+ Score:54.83 H064+ Score:31.95 R016+ Score:23.43 D030+ Score:17.18 M081+ Score:14.97 G051+ Score:14.97 G046+ Score:13.41 D038+ Score:12.15 I015+ Score:11.46 D183+ Score:11.04	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 C6H15N2O3:   H064+  R016+  D061+   Pages Related to Peak C6H12NO3:   H064+  D061+   Pages Related to Peak C6H13N2O2:   H064+  R016+  D061+  D030+   Pages Related to Peak C6H10NO2:   H064+  I015+  A197+  D061+  D030+   Pages Related to Peak C6H8NO:   I066+  A114+  D061+  H050+  P079+  T060+   Pages Related to Peak C4H11O3:   D061+  G051+  M081+   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 C4H9O2:   H064+  D061+  D083+  F013+  G046+  G051+  M081+   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 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 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 C4H9:   D128+  G020+  G117+  L016+  N018+  P113+  T112+  V001+  Z002+  B010+  D038+  D061+  F013+  G046+  O007+  P157+  T126+  I064+   Pages Related to Peak C4H7:   A053+  A135+  A189+  A196+  B020+  E015+  G003+  G032+  G050+  H064+  H073+  I015+  I022+  L003+  L004+  M035+  M078+  N009+  N018+  O009+  P048+  S013+  V001+  Z002+  A051+  A061+  A112+  A203+  A225+  B001+  B010+  B026+  B090+  C114+  D078+  D082+  D183+  E008+  F016+  G021+  H097+  I039+  I063+  L027+  L031+  L057+  M011+  M039+  M110+  M115+  O005+  P035+  P054+  P206+  S003+  V020+  D030+

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。

KOX00705p	163 C6H15N2O3	146 C6H12NO3	145 C6H13N2O2	128 C6H10NO2	110 C6H8NO	107 C4H11O3	102 C4H8NO2	89 C4H9O2	84 C4H6NO	77 C6H5	68 C4H6N	57 C4H9	55 C4H7
163 C6H15N2O3
146 C6H12NO3	H3N
145 C6H13N2O2	H2O
128 C6H10NO2	H5NO	H2O	H3N
110 C6H8NO	H7NO2	H4O2	H5NO	H2O
107 C4H11O3	C2H4N2	C2HN
102 C4H8NO2	C2H7NO	C2H4O	C2H5N	C2H2
89 C4H9O2	C2H6N2O	C2H3NO	C2H4N2	C2HN		H2O
84 C4H6NO	C2H9NO2	C2H6O2	C2H7NO	C2H4O	C2H2		H2O
77 C6H5	H10N2O3	H7NO3	H8N2O2	H5NO2	H3NO
68 C4H6N	C2H9NO3	C2H6O3	C2H7NO2	C2H4O2	C2H2O		H2O2		O
57 C4H9	C2H6N2O3	C2H3NO3	C2H4N2O2	C2HNO2		H2O3		O2
55 C4H7	C2H8N2O3	C2H5NO3	C2H6N2O2	C2H3NO2	C2HNO	H4O3	HNO2	H2O2				H2

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