MassBank:KOX00862p

General Index

All Molecules KOX PR PBX COX

Ion Frequency

Prec.-Product

Neutral Loss

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Spermine

IDs and Links
MassBank	Spermine
CAS	71-44-3
Keio ID	S011+

Top 10 Similar Molecules of Spermine

Ranking	About scoring
KOX00861p Score:23.52 KOX00655p Score:23.52 KOX00654p Score:23.52 KOX00648p Score:11.85 KOX00884p Score:9.53 KOX00661p Score:7.74 KOX00343p Score:7.74 KOX00908p Score:7.7 KOX00856p Score:7.7 KOX00762p Score:7.7	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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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。

KOX00862p	203 C10H27N4	129 C7H17N2	112 C7H14N	84 C5H10N	72 C4H10N	58 C3H8N	42 C2H4N
203 C10H27N4
129 C7H17N2	C3H10N2
112 C7H14N	C3H13N3	H3N
84 C5H10N	C5H17N3	C2H7N	C2H4
72 C4H10N	C6H17N3	C3H7N	C3H4	C
58 C3H8N	C7H19N3	C4H9N	C4H6	C2H2	CH2
42 C2H4N	C8H23N3	C5H13N	C5H10	C3H6	C2H6	CH4

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