Ojima:KO008908p

General Index

All Molecules KOX PR PBX COX

Ion Frequency

Prec.-Product

Neutral Loss

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IDs and Links
MassBank	[1]
CAS
Keio ID

Top 10 Similar Molecules of

Ranking	About scoring
C172+ Score:45.26 T054+ Score:14.09 T003+ Score:14.09 T028+ Score:9.75 M066+ Score:9.46 A035+ Score:9.24 E012+ Score:9.24 A069+ Score:9.06 T031+ Score:8.55 M101+ Score:8.55	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 C14H16N3:   C172+   Pages Related to Peak C13H12N3:   C172+   Pages Related to Peak C10H11N2:   P122+  T003+  T054+  A069+  C172+   Pages Related to Peak C10H10N:   E034+  H027+  I025+  T003+  T054+  A123+  C172+  M101+  T031+   Pages Related to Peak C8H9N2:   E012+  A035+  A036+  C172+   Pages Related to Peak C7H6N2:   C172+  T028+   Pages Related to Peak C7H10N:   C172+  M066+  T024+   Pages Related to Peak C6H7N:   A010+  A042+  A043+  A130+  A220+  B007+  D166+  E012+  G101+  H027+  H139+  N012+  P014+  P053+  T003+  T054+  A035+  A068+  A069+  A123+  B011+  C172+  D039+  D044+  D180+  K005+  M063+  M066+  M101+  M111+  M142+  M172+  N016+  P035+  P036+  P056+  P079+  P190+  S016+  S041+  T028+  T031+  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。

Illegal ion order (check mass!): H185 < C10H11N2

KO008908p	226 C14H16N3	210 C13H12N3	18 H185	159 C10H11N2	144 C10H10N	133 C8H9N2	118 C7H6N2	108 C7H10N	93 C6H7N
226 C14H16N3
210 C13H12N3	CH4
18 H185
159 C10H11N2	C4H5N	C3HN
144 C10H10N	C4H6N2	C3H2N2		HN
133 C8H9N2	C6H7N	C5H3N		C2H2
118 C7H6N2	C7H10N	C6H6N		C3H5		CH3
108 C7H10N	C7H6N2	C6H2N2		C3HN	C3
93 C6H7N	C8H9N2	C7H5N2		C4H4N	C4H3	C2H2N		CH3

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