Ojima:KOX00687p

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All Molecules KOX PR PBX COX

Ion Frequency

Prec.-Product

Neutral Loss

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Castanospermine

IDs and Links
MassBank	Castanospermine
CAS	79831-76-8
Keio ID	C043+

Top 10 Similar Molecules of Castanospermine

Ranking	About scoring
C043+ Score:39.14 B018+ Score:12.17 L027+ Score:11.97 G065+ Score:11.64 A194+ Score:11.16 G032+ Score:11.16 P055+ Score:8.99 M082+ Score:8.19 G051+ Score:8.19 G046+ Score:8.19	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 C8H16NO4:   B018+  C043+   Pages Related to Peak C8H14NO3:   B018+  E015+  C043+   Pages Related to Peak C8H12NO2:   D046+  C043+  D185+   Pages Related to Peak C8H10NO:   A130+  L007+  T002+  A226+  C043+  K004+  T032+   Pages Related to Peak C6H10NO:   A032+  P055+  C043+  L027+  S044+   Pages Related to Peak C4H8NO:   A002+  A138+  A191+  C013+  D064+  G032+  G065+  H048+  I015+  R016+  A052+  A194+  D106+  G046+  G051+  H004+  M082+  T098+   Pages Related to Peak C4H5O:   A002+  A007+  A018+  A037+  A122+  A133+  A191+  G003+  G015+  G032+  G062+  G065+  H013+  M080+  O015+  P067+  P075+  R016+  S049+  T014+  A194+  C043+  D069+  G021+  G046+  G051+  M011+  M024+  M081+  M082+  M110+  P081+  U006+   Pages Related to Peak C5H7:   A018+  A050+  A053+  A122+  A127+  A174+  B020+  C119+  D055+  G062+  G065+  H064+  H073+  L004+  M035+  N014+  P014+  P032+  P048+  P055+  Z002+  A061+  A068+  A080+  A170+  C032+  C043+  C114+  D075+  D078+  F016+  G021+  H045+  I063+  K005+  L027+  L031+  M033+  M039+  M169+  O007+  P034+  P054+  S040+  T024+  T061+  V021+   Pages Related to Peak C3H6N:   A031+  A050+  A065+  A073+  A093+  A110+  A127+  A135+  A174+  C012+  C094+  E005+  E011+  E033+  F034+  G005+  G018+  G019+  G032+  G043+  H002+  H013+  H064+  H073+  I008+  L004+  M003+  M035+  M114+  O008+  P048+  P059+  P092+  T010+  T015+  T020+  V001+  A020+  A046+  A069+  A194+  B044+  B047+  C028+  C043+  C044+  D033+  D036+  D038+  D087+  E007+  E056+  G006+  H003+  H058+  I053+  I063+  L027+  M025+  M029+  M077+  M124+  M126+  M169+  P034+  P046+  P074+  P192+  T022+  T024+  T027+  T061+  T098+  T122+  D030+  A204+  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。

KOX00687p	190 C8H16NO4	172 C8H14NO3	154 C8H12NO2	136 C8H10NO	112 C6H10NO	86 C4H8NO	69 C4H5O	67 C5H7	56 C3H6N
190 C8H16NO4
172 C8H14NO3	H2O
154 C8H12NO2	H4O2	H2O
136 C8H10NO	H6O3	H4O2	H2O
112 C6H10NO	C2H6O3	C2H4O2	C2H2O	C2
86 C4H8NO	C4H8O3	C4H6O2	C4H4O	C4H2	C2H2
69 C4H5O	C4H11NO3	C4H9NO2	C4H7NO	C4H5N	C2H5N	H3N
67 C5H7	C3H9NO4	C3H7NO3	C3H5NO2	C3H3NO	CH3NO
56 C3H6N	C5H10O4	C5H8O3	C5H6O2	C5H4O	C3H4O	CH2O

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