Ojima:KOX00325p

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All Molecules KOX PR PBX COX

Ion Frequency

Prec.-Product

Neutral Loss

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Harmaline

IDs and Links
MassBank	Harmaline
CAS	304-21-2
Keio ID	H027+

Top 10 Similar Molecules of Harmaline

Ranking	About scoring
H027+ Score:95.76 M103+ Score:28.91 M053+ Score:28.91 M040+ Score:28.91 T031+ Score:17.47 M101+ Score:17.47 I025+ Score:17.47 E034+ Score:17.47 A068+ Score:13.65 T054+ Score:12.45	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 C13H15N2O:   H027+   Pages Related to Peak C12H12N2O:   H027+   Pages Related to Peak C12H11N2O:   H027+   Pages Related to Peak C13H12NO:   B093+  H027+   Pages Related to Peak C11H9N2O:   H027+   Pages Related to Peak C11H12NO:   H027+  M040+  M053+  B026+  M103+  P061+   Pages Related to Peak C11H12N2:   H027+   Pages Related to Peak C11H11N2:   H027+  A123+   Pages Related to Peak C10H9NO:   H027+  M040+  M053+  A137+  M103+   Pages Related to Peak C10H9N2:   H027+  I022+  M037+   Pages Related to Peak C10H12N:   H027+  A068+   Pages Related to Peak C10H10N:   E034+  H027+  I025+  T003+  T054+  A123+  C172+  M101+  T031+   Pages Related to Peak C10H9N:   E034+  H027+  I025+  M040+  M053+  M101+  M103+  S041+  T031+   Pages Related to Peak C9H9N:   H027+  M040+  M053+  M103+  T041+   Pages Related to Peak C9H8N:   E034+  H027+  I022+  I025+  I030+  I038+  M037+  M040+  M053+  M078+  T003+  T054+  A068+  G041+  I067+  M101+  M103+  M172+  N016+  Q008+  S041+  T031+  N044+   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+   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+

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。

KOX00325p	215 C13H15N2O	200 C12H12N2O	199 C12H11N2O	198 C13H12NO	185 C11H9N2O	174 C11H12NO	172 C11H12N2	171 C11H11N2	159 C10H9NO	157 C10H9N2	146 C10H12N	144 C10H10N	143 C10H9N	131 C9H9N	130 C9H8N	91 C7H7	68 C4H6N
215 C13H15N2O
200 C12H12N2O	CH3
199 C12H11N2O	CH4	H
198 C13H12NO	H3N
185 C11H9N2O	C2H6	CH3	CH2
174 C11H12NO	C2H3N	CN		C2
172 C11H12N2	C2H3O	CO
171 C11H11N2	C2H4O	CHO	CO				H
159 C10H9NO	C3H6N	C2H3N	C2H2N	C3H3	CN	CH3
157 C10H9N2	C3H6O	C2H3O	C2H2O		CO		CH3	CH2
146 C10H12N	C3H3NO	C2NO		C3O		CO	CN
144 C10H10N	C3H5NO	C2H2NO	C2HNO	C3H2O		CH2O	CH2N	CHN			H2
143 C10H9N	C3H6NO	C2H3NO	C2H2NO	C3H3O	CNO	CH3O	CH3N	CH2N	O	N	H3	H
131 C9H9N	C4H6NO	C3H3NO	C3H2NO	C4H3O	C2NO	C2H3O	C2H3N	C2H2N	CO	CN	CH3	CH	C
130 C9H8N	C4H7NO	C3H4NO	C3H3NO	C4H4O	C2HNO	C2H4O	C2H4N	C2H3N	CHO	CHN	CH4	CH2	CH	H
91 C7H7	C6H8N2O	C5H5N2O	C5H4N2O	C6H5NO	C4H2N2O	C4H5NO	C4H5N2	C4H4N2	C3H2NO	C3H2N2	C3H5N	C3H3N	C3H2N	C2H2N	C2HN
68 C4H6N	C9H9NO	C8H6NO	C8H5NO	C9H6O	C7H3NO	C7H6O	C7H6N	C7H5N	C6H3O	C6H3N	C6H6	C6H4	C6H3	C5H3	C5H2

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