Ojima:KOX00123n

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All Molecules KOX PR PBX COX

Ion Frequency

Prec.-Product

Neutral Loss

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Blasticidin S

IDs and Links
MassBank	Blasticidin S
CAS	2079-00-7
Keio ID	B019-

Top 10 Similar Molecules of Blasticidin S

Ranking	About scoring
P157+ Score:5.03 M042+ Score:5.03 H014+ Score:5.03 G088+ Score:5.03 G015+ Score:5.03 D057+ Score:5.03 A136+ Score:5.03 A133+ Score:5.03 A071+ Score:5.03 T060+ Score:4.03	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 C4H4N3O:   A071+  A133+  A136+  D057+  G015+  G088+  H014+  M042+  P157+   Pages Related to Peak C5H6NO:   A122+  A191+  B019+  C013+  G061+  G065+  P094+  R016+  A052+  F013+  G021+  G046+  G051+  H004+  H021+  I017+  I051+  M063+  M081+  M082+  M111+  N001+  P045+  P079+  P099+  T060+

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。

KOX00123n	421 C17H25N8O5	186 C7H16N5O	168 C7H14N5	110 C5H6N2O	110 C4H4N3O	96 C5H6NO
421 C17H25N8O5
186 C7H16N5O	C10H9N3O4
168 C7H14N5	C10H11N3O5	H2O
110 C5H6N2O	C12H19N6O4	C2H10N3
110 C4H4N3O	C13H21N5O4	C3H12N2
96 C5H6NO	C12H19N7O4	C2H10N4		N

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