Ojima:KOX00658p

General Index

All Molecules KOX PR PBX COX

Ion Frequency

Prec.-Product

Neutral Loss

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Allocryptopine

IDs and Links
MassBank	Allocryptopine
CAS	24240-04-8 485-91-6
Keio ID	A137+

Top 10 Similar Molecules of Allocryptopine

Ranking	About scoring
A137+ Score:80.18 P070+ Score:37.2 P002+ Score:12.77 A067+ Score:12.77 P071+ Score:12.17 M078+ Score:9.9 T003+ Score:8.99 T044+ Score:7.82 T032+ Score:7.82 S058+ Score:7.82	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 C21H24NO5:   A137+   Pages Related to Peak C21H22NO4:   A137+  P071+   Pages Related to Peak C20H18NO4:   A137+  P070+  P071+   Pages Related to Peak C20H17O4:   A137+   Pages Related to Peak C19H14O4:   A137+   Pages Related to Peak C19H14O3:   A137+   Pages Related to Peak C18H11O3:   A137+  P070+   Pages Related to Peak C11H12NO3:   M078+  A137+  P070+   Pages Related to Peak C15H9:   A137+  S042+   Pages Related to Peak C11H10NO2:   P122+  T003+  A137+  P070+   Pages Related to Peak C9H9O2:   A067+  P002+  A137+  P070+  [[Ojima:TestData_Bensulfuron-methyl|]]   Pages Related to Peak C8H7O:   D046+  E033+  L007+  T002+  A137+  A226+  D185+  E013+  P070+  Q001+  S058+  T032+  T041+  T044+  V021+   Pages Related to Peak C8H7:   A067+  B018+  I022+  I025+  I030+  I038+  M040+  M078+  P002+  T054+  A080+  A137+  D039+  D178+  D180+  E007+  G041+  H045+  I067+  M101+  M167+  N016+  P047+  Q008+  S040+  T008+  T030+  T031+   Pages Related to Peak C7H7:   A067+  B015+  B018+  B020+  C040+  D046+  E033+  E034+  H027+  H139+  I025+  M040+  M053+  M127+  N018+  P002+  P059+  S013+  T002+  T003+  T054+  Z003+  A061+  A068+  A080+  A137+  A226+  B013+  C172+  D039+  D087+  D122+  D185+  E013+  F016+  G041+  H045+  K004+  L031+  M071+  M101+  M103+  M167+  M169+  M172+  P061+  P070+  P206+  Q001+  S058+  T008+  T024+  T030+  T031+  T032+  T044+  D030+

Annotations

Precursor	Product	Comments
C21H24NO5 (370)	C21H22NO4 (352)	-H2O
C21H24NO5 (370)	C11H12NO3 (206)	a
C21H24NO5 (370)	C9H9O2 (149)	b[e]
C11H12NO3 (206)	C11H10NO2 (188)	IT

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。

KOX00658p	370 C21H24NO5	352 C21H22NO4	336 C20H18NO4	321 C20H17O4	306 C19H14O4	290 C19H14O3	275 C18H11O3	206 C11H12NO3	189 C15H9	188 C11H10NO2	149 C9H9O2	119 C8H7O	103 C8H7	91 C7H7
370 C21H24NO5
352 C21H22NO4	H2O
336 C20H18NO4	CH6O	CH4
321 C20H17O4	CH7NO	CH5N	HN
306 C19H14O4	C2H10NO	C2H8N	CH4N	CH3
290 C19H14O3	C2H10NO2	C2H8NO	CH4NO	CH3O	O
275 C18H11O3	C3H13NO2	C3H11NO	C2H7NO	C2H6O	CH3O	CH3
206 C11H12NO3	C10H12O2	C10H10O	C9H6O
189 C15H9	C6H15NO5	C6H13NO4	C5H9NO4	C5H8O4	C4H5O4	C4H5O3	C3H2O3
188 C11H10NO2	C10H14O3	C10H12O2	C9H8O2					H2O
149 C9H9O2	C12H15NO3	C12H13NO2	C11H9NO2	C11H8O2	C10H5O2	C10H5O	C9H2O	C2H3NO		C2HN
119 C8H7O	C13H17NO4	C13H15NO3	C12H11NO3	C12H10O3	C11H7O3	C11H7O2	C10H4O2	C3H5NO2		C3H3NO	CH2O
103 C8H7	C13H17NO5	C13H15NO4	C12H11NO4	C12H10O4	C11H7O4	C11H7O3	C10H4O3	C3H5NO3	C7H2	C3H3NO2	CH2O2	O
91 C7H7	C14H17NO5	C14H15NO4	C13H11NO4	C13H10O4	C12H7O4	C12H7O3	C11H4O3	C4H5NO3	C8H2	C4H3NO2	C2H2O2	CO	C

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