Ojima:PR100288p

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All Molecules KOX PR PBX COX

Ion Frequency

Prec.-Product

Neutral Loss

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L-beta-homotryptophan

IDs and Links
MassBank	L-beta-homotryptophan
CAS	192003-01-3
Keio ID

Top 10 Similar Molecules of L-beta-homotryptophan

[show] Ranking	About scoring
S041+ Score:14.65 B093+ Score:12.87 E034+ Score:11.26 E007+ Score:9.96 N044+ Score:9.62 N016+ Score:9.62 T054+ Score:9.62 T003+ Score:9.62 T031+ Score:9.26 M103+ Score:9.26	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。

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[show] Page list for each fragment

Pages Related to Peak C12H15N2O2:   A226+  B026+  E007+  P061+   Pages Related to Peak C12H10NO:   B093+   Pages Related to Peak C11H10N:   B093+  E034+   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 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 C3H6NO2:   A016+  A017+  A039+  C015+  F025+  S002+  X004+  A064+  C044+  D037+  P060+

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Precursor-Product Relationship

[show] 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。

[hide] PR100288p	219 C12H15N2O2	202 C12H12NO2	184 C12H10NO	156 C11H10N	143 C10H9N	132 C9H10N	117 C8H7N	88 C3H6NO2
219 C12H15N2O2
202 C12H12NO2	H3N
184 C12H10NO	H5NO	H2O
156 C11H10N	CH5NO2	CH2O2	CO
143 C10H9N	C2H6NO2	C2H3O2	C2HO	CH
132 C9H10N	C3H5NO2	C3H2O2	C3O	C2
117 C8H7N	C4H8NO2	C4H5O2	C4H3O	C3H3	C2H2	CH3
88 C3H6NO2	C9H9N	C9H6

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