Ojima:KOX00797p

General Index

All Molecules KOX PR PBX COX

Ion Frequency

Prec.-Product

Neutral Loss

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Nw-Methyltryptamine

IDs and Links
MassBank	Nw-Methyltryptamine
CAS	61-49-4
Keio ID	M101+

Top 10 Similar Molecules of Nw-Methyltryptamine

Ranking	About scoring
M101+ Score:47.13 T031+ Score:40.9 T054+ Score:35.87 I025+ Score:35.51 T003+ Score:29.03 N016+ Score:28.91 S041+ Score:28.64 M040+ Score:27.61 H027+ Score:26.02 N044+ Score:24.95	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 C11H15N2:   G041+  M101+   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 C9H10N:   T003+  T054+  N016+  S041+  T030+  N044+   Pages Related to Peak C9H6N:   H139+  I030+  I038+  G041+  Q001+   Pages Related to Peak C10H7:   E034+  N018+  M101+  P057+  P192+  T031+   Pages Related to Peak C8H7N:   H027+  H139+  I022+  I025+  I030+  I038+  M040+  M078+  T003+  T054+  A035+  A068+  E007+  M101+  M103+  M172+  N016+  P057+  S041+  T031+  N044+   Pages Related to Peak C9H7:   B018+  H027+  H029+  I025+  I030+  M040+  M053+  N018+  T003+  T054+  B013+  K005+  M101+  M103+  M167+  M169+  S041+  T031+   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+   Pages Related to Peak C7H6:   I022+  M078+  N016+  N044+   Pages Related to Peak C7H5:   C063+  E033+  H027+  H029+  I022+  I025+  I030+  I038+  M037+  M040+  M053+  M078+  T003+  T054+  A035+  A036+  D178+  D180+  K005+  M101+  M103+  N016+  S041+  T031+  N044+   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 C5H5:   A010+  A042+  A043+  A050+  A130+  A220+  B007+  B015+  B072+  C040+  D046+  D057+  D166+  E012+  E033+  F034+  G101+  H029+  H139+  I019+  I025+  M003+  M037+  M127+  N012+  P002+  P014+  P053+  P059+  P113+  S013+  S079+  T002+  T054+  U011+  X004+  Z003+  A061+  A068+  A114+  B011+  B013+  C047+  C170+  C172+  D032+  D044+  D087+  D122+  D178+  D180+  D185+  E008+  E013+  K004+  M013+  M039+  M063+  M066+  M071+  M101+  M150+  M167+  M172+  N016+  N028+  P035+  P047+  P056+  P061+  P079+  P183+  P190+  Q001+  S016+  S041+  S058+  T008+  T028+  T030+  T031+  T032+  T044+  T060+  N044+

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。

KOX00797p	175 C11H15N2	144 C10H10N	143 C10H9N	132 C9H10N	128 C9H6N	127 C10H7	117 C8H7N	115 C9H7	103 C8H7	91 C7H7	90 C7H6	89 C7H5	77 C6H5	65 C5H5
175 C11H15N2
144 C10H10N	CH5N
143 C10H9N	CH6N	H
132 C9H10N	C2H5N	C
128 C9H6N	C2H9N	CH4	CH3	H4
127 C10H7	CH8N2	H3N	H2N
117 C8H7N	C3H8N	C2H3	C2H2	CH3
115 C9H7	C2H8N2	CH3N	CH2N	H3N		C
103 C8H7	C3H8N2	C2H3N	C2H2N	CH3N		C2	N	C
91 C7H7	C4H8N2	C3H3N	C3H2N	C2H3N		C3	CN	C2	C
90 C7H6	C4H9N2	C3H4N	C3H3N	C2H4N	C2N	C3H	CHN	C2H	CH	H
89 C7H5	C4H10N2	C3H5N	C3H4N	C2H5N	C2HN	C3H2	CH2N	C2H2	CH2	H2	H
77 C6H5	C5H10N2	C4H5N	C4H4N	C3H5N	C3HN	C4H2	C2H2N	C3H2	C2H2	CH2	CH	C
65 C5H5	C6H10N2	C5H5N	C5H4N	C4H5N	C4HN	C5H2	C3H2N	C4H2	C3H2	C2H2	C2H	C2	C

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