Ojima:KOX00364p

General Index

All Molecules KOX PR PBX COX

Ion Frequency

Prec.-Product

Neutral Loss

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Ile

IDs and Links
MassBank	Ile
CAS	73-32-5
Keio ID	I008+

Top 10 Similar Molecules of Ile

Ranking	About scoring
I008+ Score:21.62 L057+ Score:13.39 N014+ Score:13.39 L003+ Score:13.39 G071+ Score:13.39 A145+ Score:13.39 A053+ Score:13.39 P034+ Score:11.23 A155+ Score:9.14 C032+ Score:8.26	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 C6H14NO2:   A053+  A145+  G071+  I008+  L003+  N014+  L057+  T022+   Pages Related to Peak C5H12N:   A053+  A145+  B018+  E015+  G071+  I008+  L003+  L006+  L007+  N014+  P032+  P122+  T112+  A060+  B040+  C032+  C044+  G069+  L034+  L057+  P034+  P074+  P192+   Pages Related to Peak C5H9:   A053+  A138+  A145+  E015+  F025+  F034+  G071+  I008+  L003+  N014+  P067+  S013+  T112+  A061+  B090+  C032+  D178+  I063+  L057+  P034+  P206+  P209+  T108+  A155+   Pages Related to Peak C3H7N:   A189+  I008+  D036+  M126+  T024+  T061+  H024+   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+   Pages Related to Peak C2H6N:   A011+  A015+  S014+  T004+  E023+  M034+  T021+  T030+  A155+   Pages Related to Peak C3H5:   I064+  P042+

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。

KOX00364p	132 C6H14NO2	86 C5H12N	69 C5H9	57 C3H7N	56 C3H6N	44 C2H6N	41 C3H5	39 C3H3
132 C6H14NO2
86 C5H12N	CH2O2
69 C5H9	CH5NO2	H3N
57 C3H7N	C3H7O2	C2H5
56 C3H6N	C3H8O2	C2H6		H
44 C2H6N	C4H8O2	C3H6		CH	C
41 C3H5	C3H9NO2	C2H7N	C2H4	H2N	HN
39 C3H3	C3H11NO2	C2H9N	C2H6	H4N	H3N		H2

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